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<div class="local-toc"><ul>
<li><a class="reference internal" href="#">pymatgen.analysis.chemenv.coordination_environments package</a><ul>
<li><a class="reference internal" href="#subpackages">Subpackages</a></li>
<li><a class="reference internal" href="#submodules">Submodules</a></li>
<li><a class="reference internal" href="#module-pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies">pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies module</a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.AC"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.AC</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.DEFAULT_SYMMETRY_MEASURE_TYPE"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.DEFAULT_SYMMETRY_MEASURE_TYPE</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.STRATEGY_DESCRIPTION"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.STRATEGY_DESCRIPTION</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.STRATEGY_INFO_FIELDS"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.STRATEGY_INFO_FIELDS</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.STRATEGY_OPTIONS"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.STRATEGY_OPTIONS</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.as_dict"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.equivalent_site_index_and_transform"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.equivalent_site_index_and_transform()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.from_dict"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_ce_fractions_and_neighbors"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.get_site_ce_fractions_and_neighbors()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_coordination_environment"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.get_site_coordination_environment()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_coordination_environments"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.get_site_coordination_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_coordination_environments_fractions"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.get_site_coordination_environments_fractions()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_neighbors"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.get_site_neighbors()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.prepare_symmetries"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.prepare_symmetries()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.set_option"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.set_option()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.set_structure_environments"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.set_structure_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.setup_options"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.setup_options()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.symmetry_measure_type"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.symmetry_measure_type</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.uniquely_determines_coordination_environments"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvStrategy.uniquely_determines_coordination_environments</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt"><code class="docutils literal notranslate"><span class="pre">AdditionalConditionInt</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.allowed_values"><code class="docutils literal notranslate"><span class="pre">AdditionalConditionInt.allowed_values</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.as_dict"><code class="docutils literal notranslate"><span class="pre">AdditionalConditionInt.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.description"><code class="docutils literal notranslate"><span class="pre">AdditionalConditionInt.description</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.from_dict"><code class="docutils literal notranslate"><span class="pre">AdditionalConditionInt.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.integer"><code class="docutils literal notranslate"><span class="pre">AdditionalConditionInt.integer</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat"><code class="docutils literal notranslate"><span class="pre">AngleCutoffFloat</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat.allowed_values"><code class="docutils literal notranslate"><span class="pre">AngleCutoffFloat.allowed_values</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat.as_dict"><code class="docutils literal notranslate"><span class="pre">AngleCutoffFloat.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat.from_dict"><code class="docutils literal notranslate"><span class="pre">AngleCutoffFloat.from_dict()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight"><code class="docutils literal notranslate"><span class="pre">AngleNbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.SHORT_NAME"><code class="docutils literal notranslate"><span class="pre">AngleNbSetWeight.SHORT_NAME</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.angle_sum"><code class="docutils literal notranslate"><span class="pre">AngleNbSetWeight.angle_sum()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.angle_sumn"><code class="docutils literal notranslate"><span class="pre">AngleNbSetWeight.angle_sumn()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">AngleNbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.from_dict"><code class="docutils literal notranslate"><span class="pre">AngleNbSetWeight.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">AngleNbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight"><code class="docutils literal notranslate"><span class="pre">AnglePlateauNbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.SHORT_NAME"><code class="docutils literal notranslate"><span class="pre">AnglePlateauNbSetWeight.SHORT_NAME</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">AnglePlateauNbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.from_dict"><code class="docutils literal notranslate"><span class="pre">AnglePlateauNbSetWeight.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">AnglePlateauNbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight"><code class="docutils literal notranslate"><span class="pre">CNBiasNbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.SHORT_NAME"><code class="docutils literal notranslate"><span class="pre">CNBiasNbSetWeight.SHORT_NAME</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">CNBiasNbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.explicit"><code class="docutils literal notranslate"><span class="pre">CNBiasNbSetWeight.explicit()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.from_description"><code class="docutils literal notranslate"><span class="pre">CNBiasNbSetWeight.from_description()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.from_dict"><code class="docutils literal notranslate"><span class="pre">CNBiasNbSetWeight.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.geometrically_equidistant"><code class="docutils literal notranslate"><span class="pre">CNBiasNbSetWeight.geometrically_equidistant()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.linearly_equidistant"><code class="docutils literal notranslate"><span class="pre">CNBiasNbSetWeight.linearly_equidistant()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">CNBiasNbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat"><code class="docutils literal notranslate"><span class="pre">CSMFloat</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat.allowed_values"><code class="docutils literal notranslate"><span class="pre">CSMFloat.allowed_values</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat.as_dict"><code class="docutils literal notranslate"><span class="pre">CSMFloat.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat.from_dict"><code class="docutils literal notranslate"><span class="pre">CSMFloat.from_dict()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight"><code class="docutils literal notranslate"><span class="pre">DeltaCSMNbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.DEFAULT_EFFECTIVE_CSM_ESTIMATOR"><code class="docutils literal notranslate"><span class="pre">DeltaCSMNbSetWeight.DEFAULT_EFFECTIVE_CSM_ESTIMATOR</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.DEFAULT_SYMMETRY_MEASURE_TYPE"><code class="docutils literal notranslate"><span class="pre">DeltaCSMNbSetWeight.DEFAULT_SYMMETRY_MEASURE_TYPE</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.DEFAULT_WEIGHT_ESTIMATOR"><code class="docutils literal notranslate"><span class="pre">DeltaCSMNbSetWeight.DEFAULT_WEIGHT_ESTIMATOR</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.SHORT_NAME"><code class="docutils literal notranslate"><span class="pre">DeltaCSMNbSetWeight.SHORT_NAME</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">DeltaCSMNbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.delta_cn_specifics"><code class="docutils literal notranslate"><span class="pre">DeltaCSMNbSetWeight.delta_cn_specifics()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.from_dict"><code class="docutils literal notranslate"><span class="pre">DeltaCSMNbSetWeight.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">DeltaCSMNbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight"><code class="docutils literal notranslate"><span class="pre">DeltaDistanceNbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.SHORT_NAME"><code class="docutils literal notranslate"><span class="pre">DeltaDistanceNbSetWeight.SHORT_NAME</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">DeltaDistanceNbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.from_dict"><code class="docutils literal notranslate"><span class="pre">DeltaDistanceNbSetWeight.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">DeltaDistanceNbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight"><code class="docutils literal notranslate"><span class="pre">DistanceAngleAreaNbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.AC"><code class="docutils literal notranslate"><span class="pre">DistanceAngleAreaNbSetWeight.AC</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.DEFAULT_SURFACE_DEFINITION"><code class="docutils literal notranslate"><span class="pre">DistanceAngleAreaNbSetWeight.DEFAULT_SURFACE_DEFINITION</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.SHORT_NAME"><code class="docutils literal notranslate"><span class="pre">DistanceAngleAreaNbSetWeight.SHORT_NAME</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">DistanceAngleAreaNbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.from_dict"><code class="docutils literal notranslate"><span class="pre">DistanceAngleAreaNbSetWeight.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.rectangle_crosses_area"><code class="docutils literal notranslate"><span class="pre">DistanceAngleAreaNbSetWeight.rectangle_crosses_area()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.w_area_has_intersection"><code class="docutils literal notranslate"><span class="pre">DistanceAngleAreaNbSetWeight.w_area_has_intersection()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.w_area_intersection_nbsfh_fbs_onb0"><code class="docutils literal notranslate"><span class="pre">DistanceAngleAreaNbSetWeight.w_area_intersection_nbsfh_fbs_onb0()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">DistanceAngleAreaNbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat"><code class="docutils literal notranslate"><span class="pre">DistanceCutoffFloat</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat.allowed_values"><code class="docutils literal notranslate"><span class="pre">DistanceCutoffFloat.allowed_values</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat.as_dict"><code class="docutils literal notranslate"><span class="pre">DistanceCutoffFloat.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat.from_dict"><code class="docutils literal notranslate"><span class="pre">DistanceCutoffFloat.from_dict()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight"><code class="docutils literal notranslate"><span class="pre">DistanceNbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.SHORT_NAME"><code class="docutils literal notranslate"><span class="pre">DistanceNbSetWeight.SHORT_NAME</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">DistanceNbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.from_dict"><code class="docutils literal notranslate"><span class="pre">DistanceNbSetWeight.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">DistanceNbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight"><code class="docutils literal notranslate"><span class="pre">DistancePlateauNbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.SHORT_NAME"><code class="docutils literal notranslate"><span class="pre">DistancePlateauNbSetWeight.SHORT_NAME</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">DistancePlateauNbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.from_dict"><code class="docutils literal notranslate"><span class="pre">DistancePlateauNbSetWeight.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">DistancePlateauNbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy"><code class="docutils literal notranslate"><span class="pre">MultiWeightsChemenvStrategy</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.DEFAULT_CE_ESTIMATOR"><code class="docutils literal notranslate"><span class="pre">MultiWeightsChemenvStrategy.DEFAULT_CE_ESTIMATOR</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.STRATEGY_DESCRIPTION"><code class="docutils literal notranslate"><span class="pre">MultiWeightsChemenvStrategy.STRATEGY_DESCRIPTION</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.as_dict"><code class="docutils literal notranslate"><span class="pre">MultiWeightsChemenvStrategy.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.from_dict"><code class="docutils literal notranslate"><span class="pre">MultiWeightsChemenvStrategy.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.stats_article_weights_parameters"><code class="docutils literal notranslate"><span class="pre">MultiWeightsChemenvStrategy.stats_article_weights_parameters()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.uniquely_determines_coordination_environments"><code class="docutils literal notranslate"><span class="pre">MultiWeightsChemenvStrategy.uniquely_determines_coordination_environments</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">NbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">NbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.SHORT_NAME"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.SHORT_NAME</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.ang"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.ang()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.anginvdist"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.anginvdist()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.anginvndist"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.anginvndist()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.angn"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.angn()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.angninvdist"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.angninvdist()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.angninvndist"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.angninvndist()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.aweight"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.aweight()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.from_dict"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.gweight"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.gweight()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.invdist"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.invdist()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.invndist"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.invndist()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">NormalizedAngleDistanceNbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight"><code class="docutils literal notranslate"><span class="pre">SelfCSMNbSetWeight</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.DEFAULT_EFFECTIVE_CSM_ESTIMATOR"><code class="docutils literal notranslate"><span class="pre">SelfCSMNbSetWeight.DEFAULT_EFFECTIVE_CSM_ESTIMATOR</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.DEFAULT_SYMMETRY_MEASURE_TYPE"><code class="docutils literal notranslate"><span class="pre">SelfCSMNbSetWeight.DEFAULT_SYMMETRY_MEASURE_TYPE</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.DEFAULT_WEIGHT_ESTIMATOR"><code class="docutils literal notranslate"><span class="pre">SelfCSMNbSetWeight.DEFAULT_WEIGHT_ESTIMATOR</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.SHORT_NAME"><code class="docutils literal notranslate"><span class="pre">SelfCSMNbSetWeight.SHORT_NAME</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.as_dict"><code class="docutils literal notranslate"><span class="pre">SelfCSMNbSetWeight.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.from_dict"><code class="docutils literal notranslate"><span class="pre">SelfCSMNbSetWeight.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.weight"><code class="docutils literal notranslate"><span class="pre">SelfCSMNbSetWeight.weight()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.DEFAULT_ADDITIONAL_CONDITION"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy.DEFAULT_ADDITIONAL_CONDITION</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.DEFAULT_MAX_DIST"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy.DEFAULT_MAX_DIST</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.STRATEGY_DESCRIPTION"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy.STRATEGY_DESCRIPTION</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.STRATEGY_OPTIONS"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy.STRATEGY_OPTIONS</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.as_dict"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.from_dict"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.get_site_coordination_environment"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy.get_site_coordination_environment()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.get_site_coordination_environments"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy.get_site_coordination_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.get_site_neighbors"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy.get_site_neighbors()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.uniquely_determines_coordination_environments"><code class="docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy.uniquely_determines_coordination_environments</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_ADDITIONAL_CONDITION"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.DEFAULT_ADDITIONAL_CONDITION</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_ANGLE_CUTOFF"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.DEFAULT_ANGLE_CUTOFF</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_CONTINUOUS_SYMMETRY_MEASURE_CUTOFF"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.DEFAULT_CONTINUOUS_SYMMETRY_MEASURE_CUTOFF</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_DISTANCE_CUTOFF"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.DEFAULT_DISTANCE_CUTOFF</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.STRATEGY_DESCRIPTION"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.STRATEGY_DESCRIPTION</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.STRATEGY_OPTIONS"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.STRATEGY_OPTIONS</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.add_strategy_visualization_to_subplot"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.add_strategy_visualization_to_subplot()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.additional_condition"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.additional_condition</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.angle_cutoff"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.angle_cutoff</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.as_dict"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.continuous_symmetry_measure_cutoff"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.continuous_symmetry_measure_cutoff</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.distance_cutoff"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.distance_cutoff</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.from_dict"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_coordination_environment"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.get_site_coordination_environment()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_coordination_environments"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.get_site_coordination_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_coordination_environments_fractions"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.get_site_coordination_environments_fractions()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_neighbors"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.get_site_neighbors()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.uniquely_determines_coordination_environments"><code class="docutils literal notranslate"><span class="pre">SimplestChemenvStrategy.uniquely_determines_coordination_environments</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption"><code class="docutils literal notranslate"><span class="pre">StrategyOption</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption.allowed_values"><code class="docutils literal notranslate"><span class="pre">StrategyOption.allowed_values</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption.as_dict"><code class="docutils literal notranslate"><span class="pre">StrategyOption.as_dict()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy"><code class="docutils literal notranslate"><span class="pre">TargetedPenaltiedAbundanceChemenvStrategy</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.DEFAULT_TARGET_ENVIRONMENTS"><code class="docutils literal notranslate"><span class="pre">TargetedPenaltiedAbundanceChemenvStrategy.DEFAULT_TARGET_ENVIRONMENTS</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.as_dict"><code class="docutils literal notranslate"><span class="pre">TargetedPenaltiedAbundanceChemenvStrategy.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.from_dict"><code class="docutils literal notranslate"><span class="pre">TargetedPenaltiedAbundanceChemenvStrategy.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.get_site_coordination_environment"><code class="docutils literal notranslate"><span class="pre">TargetedPenaltiedAbundanceChemenvStrategy.get_site_coordination_environment()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.uniquely_determines_coordination_environments"><code class="docutils literal notranslate"><span class="pre">TargetedPenaltiedAbundanceChemenvStrategy.uniquely_determines_coordination_environments</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy"><code class="docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.DEFAULT_CE_ESTIMATOR"><code class="docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy.DEFAULT_CE_ESTIMATOR</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.STRATEGY_DESCRIPTION"><code class="docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy.STRATEGY_DESCRIPTION</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.as_dict"><code class="docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.from_dict"><code class="docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_coordination_environment"><code class="docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy.get_site_coordination_environment()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_coordination_environments"><code class="docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy.get_site_coordination_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_coordination_environments_fractions"><code class="docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy.get_site_coordination_environments_fractions()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_neighbors"><code class="docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy.get_site_neighbors()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.uniquely_determines_coordination_environments"><code class="docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy.uniquely_determines_coordination_environments</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.get_effective_csm"><code class="docutils literal notranslate"><span class="pre">get_effective_csm()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.set_info"><code class="docutils literal notranslate"><span class="pre">set_info()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#module-pymatgen.analysis.chemenv.coordination_environments.coordination_geometries">pymatgen.analysis.chemenv.coordination_environments.coordination_geometries module</a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvAlgorithm</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm.algorithm_type"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvAlgorithm.algorithm_type</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm.as_dict"><code class="docutils literal notranslate"><span class="pre">AbstractChemenvAlgorithm.as_dict()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometries"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.get_geometries()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_IUCr_symbol"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.get_geometry_from_IUCr_symbol()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_IUPAC_symbol"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.get_geometry_from_IUPAC_symbol()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_mp_symbol"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.get_geometry_from_mp_symbol()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_name"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.get_geometry_from_name()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_implemented_geometries"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.get_implemented_geometries()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_not_implemented_geometries"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.get_not_implemented_geometries()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_symbol_cn_mapping"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.get_symbol_cn_mapping()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_symbol_name_mapping"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.get_symbol_name_mapping()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.is_a_valid_coordination_geometry"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.is_a_valid_coordination_geometry()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.pretty_print"><code class="docutils literal notranslate"><span class="pre">AllCoordinationGeometries.pretty_print()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.CSM_SKIP_SEPARATION_PLANE_ALGO"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.CSM_SKIP_SEPARATION_PLANE_ALGO</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUCr_symbol"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.IUCr_symbol</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUCr_symbol_str"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.IUCr_symbol_str</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUPAC_symbol"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.IUPAC_symbol</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUPAC_symbol_str"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.IUPAC_symbol_str</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.NeighborsSetsHints</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.ALLOWED_HINTS_TYPES"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.NeighborsSetsHints.ALLOWED_HINTS_TYPES</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.as_dict"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.NeighborsSetsHints.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.double_cap_hints"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.NeighborsSetsHints.double_cap_hints()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.from_dict"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.NeighborsSetsHints.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.hints"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.NeighborsSetsHints.hints()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.single_cap_hints"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.NeighborsSetsHints.single_cap_hints()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.triple_cap_hints"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.NeighborsSetsHints.triple_cap_hints()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.algorithms"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.algorithms</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.as_dict"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.ce_symbol"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.ce_symbol</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.coordination_number"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.coordination_number</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.distfactor_max"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.distfactor_max</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.edges"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.edges()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.faces"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.faces()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.from_dict"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_central_site"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.get_central_site()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_coordination_number"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.get_coordination_number()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_name"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.get_name()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_pmeshes"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.get_pmeshes()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.is_implemented"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.is_implemented()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.mp_symbol"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.mp_symbol</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.number_of_permutations"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.number_of_permutations</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.pauling_stability_ratio"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.pauling_stability_ratio</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.ref_permutation"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.ref_permutation()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.solid_angles"><code class="docutils literal notranslate"><span class="pre">CoordinationGeometry.solid_angles()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm"><code class="docutils literal notranslate"><span class="pre">ExplicitPermutationsAlgorithm</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm.as_dict"><code class="docutils literal notranslate"><span class="pre">ExplicitPermutationsAlgorithm.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm.from_dict"><code class="docutils literal notranslate"><span class="pre">ExplicitPermutationsAlgorithm.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm.permutations"><code class="docutils literal notranslate"><span class="pre">ExplicitPermutationsAlgorithm.permutations</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane"><code class="docutils literal notranslate"><span class="pre">SeparationPlane</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.argsorted_ref_separation_perm"><code class="docutils literal notranslate"><span class="pre">SeparationPlane.argsorted_ref_separation_perm</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.as_dict"><code class="docutils literal notranslate"><span class="pre">SeparationPlane.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.from_dict"><code class="docutils literal notranslate"><span class="pre">SeparationPlane.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.permutations"><code class="docutils literal notranslate"><span class="pre">SeparationPlane.permutations</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.ref_separation_perm"><code class="docutils literal notranslate"><span class="pre">SeparationPlane.ref_separation_perm</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.safe_separation_permutations"><code class="docutils literal notranslate"><span class="pre">SeparationPlane.safe_separation_permutations()</span></code></a></li>
</ul>
</li>
</ul>
</li>
<li><a class="reference internal" href="#module-pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder">pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder module</a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry"><code class="docutils literal notranslate"><span class="pre">AbstractGeometry</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.cn"><code class="docutils literal notranslate"><span class="pre">AbstractGeometry.cn</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.coordination_number"><code class="docutils literal notranslate"><span class="pre">AbstractGeometry.coordination_number</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.from_cg"><code class="docutils literal notranslate"><span class="pre">AbstractGeometry.from_cg()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wcs_csc"><code class="docutils literal notranslate"><span class="pre">AbstractGeometry.points_wcs_csc()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wcs_ctwcc"><code class="docutils literal notranslate"><span class="pre">AbstractGeometry.points_wcs_ctwcc()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wcs_ctwocc"><code class="docutils literal notranslate"><span class="pre">AbstractGeometry.points_wcs_ctwocc()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wocs_csc"><code class="docutils literal notranslate"><span class="pre">AbstractGeometry.points_wocs_csc()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wocs_ctwcc"><code class="docutils literal notranslate"><span class="pre">AbstractGeometry.points_wocs_ctwcc()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wocs_ctwocc"><code class="docutils literal notranslate"><span class="pre">AbstractGeometry.points_wocs_ctwocc()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.BVA_DISTANCE_SCALE_FACTORS"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.BVA_DISTANCE_SCALE_FACTORS</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.DEFAULT_BVA_DISTANCE_SCALE_FACTOR"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.DEFAULT_BVA_DISTANCE_SCALE_FACTOR</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.DEFAULT_SPG_ANALYZER_OPTIONS"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.DEFAULT_SPG_ANALYZER_OPTIONS</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.DEFAULT_STRATEGY"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.DEFAULT_STRATEGY</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.PRESETS"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.PRESETS</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.STRUCTURE_REFINEMENT_NONE"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.STRUCTURE_REFINEMENT_NONE</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.STRUCTURE_REFINEMENT_REFINED"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.STRUCTURE_REFINEMENT_REFINED</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.STRUCTURE_REFINEMENT_SYMMETRIZED"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.STRUCTURE_REFINEMENT_SYMMETRIZED</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.compute_coordination_environments"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.compute_coordination_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.compute_structure_environments"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.compute_structure_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.coordination_geometry_symmetry_measures()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_fallback_random"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.coordination_geometry_symmetry_measures_fallback_random()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_separation_plane"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.coordination_geometry_symmetry_measures_separation_plane()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_separation_plane_optim"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.coordination_geometry_symmetry_measures_separation_plane_optim()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_sepplane_optim"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.coordination_geometry_symmetry_measures_sepplane_optim()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_standard"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.coordination_geometry_symmetry_measures_standard()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.get_coordination_symmetry_measures"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.get_coordination_symmetry_measures()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.get_coordination_symmetry_measures_optim"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.get_coordination_symmetry_measures_optim()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.get_structure"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.get_structure()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.set_structure"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.set_structure()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_explicit_indices_local_geometry"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.setup_explicit_indices_local_geometry()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_local_geometry"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.setup_local_geometry()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_ordered_indices_local_geometry"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.setup_ordered_indices_local_geometry()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_parameter"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.setup_parameter()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_parameters"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.setup_parameters()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_random_indices_local_geometry"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.setup_random_indices_local_geometry()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_random_structure"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.setup_random_structure()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_structure"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.setup_structure()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_test_perfect_environment"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.setup_test_perfect_environment()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.update_nb_set_environments"><code class="docutils literal notranslate"><span class="pre">LocalGeometryFinder.update_nb_set_environments()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.find_rotation"><code class="docutils literal notranslate"><span class="pre">find_rotation()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.find_scaling_factor"><code class="docutils literal notranslate"><span class="pre">find_scaling_factor()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.symmetry_measure"><code class="docutils literal notranslate"><span class="pre">symmetry_measure()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#module-pymatgen.analysis.chemenv.coordination_environments.structure_environments">pymatgen.analysis.chemenv.coordination_environments.structure_environments module</a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments"><code class="docutils literal notranslate"><span class="pre">ChemicalEnvironments</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.add_coord_geom"><code class="docutils literal notranslate"><span class="pre">ChemicalEnvironments.add_coord_geom()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.as_dict"><code class="docutils literal notranslate"><span class="pre">ChemicalEnvironments.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.from_dict"><code class="docutils literal notranslate"><span class="pre">ChemicalEnvironments.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.is_close_to"><code class="docutils literal notranslate"><span class="pre">ChemicalEnvironments.is_close_to()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.minimum_geometries"><code class="docutils literal notranslate"><span class="pre">ChemicalEnvironments.minimum_geometries()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.minimum_geometry"><code class="docutils literal notranslate"><span class="pre">ChemicalEnvironments.minimum_geometry()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.DEFAULT_STATISTICS_FIELDS"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.DEFAULT_STATISTICS_FIELDS</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.DELTA_MAX_OXIDATION_STATE"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.DELTA_MAX_OXIDATION_STATE</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.NeighborsSet</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.as_dict"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.NeighborsSet.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.from_dict"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.NeighborsSet.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_coords"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.NeighborsSet.neighb_coords</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_indices_and_images"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.NeighborsSet.neighb_indices_and_images</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_sites"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.NeighborsSet.neighb_sites</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_sites_and_indices"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.NeighborsSet.neighb_sites_and_indices</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.as_dict"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.clear_environments"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.clear_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.contains_only_one_anion"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.contains_only_one_anion()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.contains_only_one_anion_atom"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.contains_only_one_anion_atom()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.environments_identified"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.environments_identified()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.from_dict"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.from_structure_environments"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.from_structure_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.get_site_info_for_specie_allces"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.get_site_info_for_specie_allces()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.get_site_info_for_specie_ce"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.get_site_info_for_specie_ce()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.get_statistics"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.get_statistics()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.setup_statistic_lists"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.setup_statistic_lists()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.site_contains_environment"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.site_contains_environment()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.site_has_clear_environment"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.site_has_clear_environment()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.structure_contains_atom_environment"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.structure_contains_atom_environment()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.structure_has_clear_environments"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.structure_has_clear_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.uniquely_determines_coordination_environments"><code class="docutils literal notranslate"><span class="pre">LightStructureEnvironments.uniquely_determines_coordination_environments</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.AC"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.AC</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.add_source"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.add_source()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.angle_plateau"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.angle_plateau()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.angles"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.angles</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.as_dict"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.coords"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.coords</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.distance_plateau"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.distance_plateau()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.distances"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.distances</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.from_dict"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.get_neighb_voronoi_indices"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.get_neighb_voronoi_indices()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.info"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.info</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_coords"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.neighb_coords</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_coordsOpt"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.neighb_coordsOpt</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_sites"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.neighb_sites</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_sites_and_indices"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.neighb_sites_and_indices</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.normalized_angles"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.normalized_angles</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.normalized_distances"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.normalized_distances</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.source"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.source</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.voronoi_grid_surface_points"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.NeighborsSet.voronoi_grid_surface_points()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.add_neighbors_set"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.add_neighbors_set()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.as_dict"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.differences_wrt"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.differences_wrt()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.from_dict"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_coordination_environments"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.get_coordination_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_csm"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.get_csm()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_csm_and_maps"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.get_csm_and_maps()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_csms"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.get_csms()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_environments_figure"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.get_environments_figure()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.init_neighbors_sets"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.init_neighbors_sets()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.plot_csm_and_maps"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.plot_csm_and_maps()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.plot_environments"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.plot_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.save_environments_figure"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.save_environments_figure()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.update_coordination_environments"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.update_coordination_environments()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.update_site_info"><code class="docutils literal notranslate"><span class="pre">StructureEnvironments.update_site_info()</span></code></a></li>
</ul>
</li>
</ul>
</li>
<li><a class="reference internal" href="#module-pymatgen.analysis.chemenv.coordination_environments.voronoi">pymatgen.analysis.chemenv.coordination_environments.voronoi module</a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.AC"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.AC</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.as_dict"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.as_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.default_normalized_angle_tolerance"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.default_normalized_angle_tolerance</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.default_normalized_distance_tolerance"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.default_normalized_distance_tolerance</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.default_voronoi_cutoff"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.default_voronoi_cutoff</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.from_dict"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.from_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.get_rdf_figure"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.get_rdf_figure()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.get_sadf_figure"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.get_sadf_figure()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.is_close_to"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.is_close_to()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.maps_and_surfaces"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.maps_and_surfaces()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.maps_and_surfaces_bounded"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.maps_and_surfaces_bounded()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.neighbors"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.neighbors()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.neighbors_surfaces"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.neighbors_surfaces()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.neighbors_surfaces_bounded"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.neighbors_surfaces_bounded()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.setup_neighbors_distances_and_angles"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.setup_neighbors_distances_and_angles()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.setup_voronoi_list"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.setup_voronoi_list()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.to_bson_voronoi_list2"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.to_bson_voronoi_list2()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.voronoi_parameters_bounds_and_limits"><code class="docutils literal notranslate"><span class="pre">DetailedVoronoiContainer.voronoi_parameters_bounds_and_limits()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.from_bson_voronoi_list2"><code class="docutils literal notranslate"><span class="pre">from_bson_voronoi_list2()</span></code></a></li>
</ul>
</li>
</ul>
</li>
</ul>
</div>
</div>
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<li class="breadcrumb-item active">pymatgen.analysis.chemenv.coordination_environments package</li>
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<section id="module-pymatgen.analysis.chemenv.coordination_environments">
<span id="pymatgen-analysis-chemenv-coordination-environments-package"></span><h1>pymatgen.analysis.chemenv.coordination_environments package<a class="headerlink" href="#module-pymatgen.analysis.chemenv.coordination_environments" title="Link to this heading"></a></h1>
<p>Package for analyzing coordination environments.</p>
<section id="subpackages">
<h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading"></a></h2>
<div class="toctree-wrapper compound">
<ul>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries_files.html">pymatgen.analysis.chemenv.coordination_environments.coordination_geometries_files package</a></li>
</ul>
</div>
</section>
<section id="submodules">
<h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading"></a></h2>
</section>
<section id="module-pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies">
<span id="pymatgen-analysis-chemenv-coordination-environments-chemenv-strategies-module"></span><h2>pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies module<a class="headerlink" href="#module-pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies" title="Link to this heading"></a></h2>
<p>This module provides so-called “strategies” to determine the coordination environments of an atom in a structure.
Some strategies can favour larger or smaller environments. Some strategies uniquely identifies the environments while
some others can identify the environment as a “mix” of several environments, each of which is assigned with a given
fraction. The choice of the strategy depends on the purpose of the user.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AbstractChemenvStrategy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'csm_wcs_ctwcc'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L195-L503"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">MSONable</span></code>, <code class="xref py py-class docutils literal notranslate"><span class="pre">ABC</span></code></p>
<p>Base class to define a Chemenv strategy for the neighbors and coordination environment
to be applied to a StructureEnvironments object.</p>
<p>Abstract constructor for the all chemenv strategies.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>structure_environments</strong> – StructureEnvironments object containing all the information on the
coordination of the sites in a structure.</p>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.AC">
<span class="sig-name descname"><span class="pre">AC</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre"><pymatgen.analysis.chemenv.utils.defs_utils.AdditionalConditions</span> <span class="pre">object></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.AC" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.DEFAULT_SYMMETRY_MEASURE_TYPE">
<span class="sig-name descname"><span class="pre">DEFAULT_SYMMETRY_MEASURE_TYPE</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'csm_wcs_ctwcc'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.DEFAULT_SYMMETRY_MEASURE_TYPE" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.STRATEGY_DESCRIPTION">
<span class="sig-name descname"><span class="pre">STRATEGY_DESCRIPTION</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.STRATEGY_DESCRIPTION" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.STRATEGY_INFO_FIELDS">
<span class="sig-name descname"><span class="pre">STRATEGY_INFO_FIELDS</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span><span class="p"><span class="pre">[</span></span><span class="pre">list</span><span class="p"><span class="pre">]</span></span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">[]</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.STRATEGY_INFO_FIELDS" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.STRATEGY_OPTIONS">
<span class="sig-name descname"><span class="pre">STRATEGY_OPTIONS</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span><span class="p"><span class="pre">[</span></span><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">dict</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.STRATEGY_OPTIONS" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.as_dict">
<em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L481-L489"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.as_dict" title="Link to this definition"></a></dt>
<dd><p>Bson-serializable dict representation of the SimplestChemenvStrategy object.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>Bson-serializable dict representation of the SimplestChemenvStrategy object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.equivalent_site_index_and_transform">
<span class="sig-name descname"><span class="pre">equivalent_site_index_and_transform</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">psite</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L247-L326"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.equivalent_site_index_and_transform" title="Link to this definition"></a></dt>
<dd><p>Get the equivalent site and corresponding symmetry+translation transformations.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>psite</strong> – Periodic site.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Equivalent site in the unit cell, translations and symmetry transformation.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L491-L503"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the SimpleAbundanceChemenvStrategy object from a dict representation of the
SimpleAbundanceChemenvStrategy object created using the as_dict method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – dict representation of the SimpleAbundanceChemenvStrategy object</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>StructureEnvironments object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_ce_fractions_and_neighbors">
<span class="sig-name descname"><span class="pre">get_site_ce_fractions_and_neighbors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">full_ce_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">strategy_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L405-L440"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_ce_fractions_and_neighbors" title="Link to this definition"></a></dt>
<dd><p>Applies the strategy to the structure_environments object in order to get coordination environments, their
fraction, csm, geometry_info, and neighbors.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>site</strong> – Site for which the above information is sought</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The list of neighbors of the site. For complex strategies, where one allows multiple solutions, this</p>
</dd>
</dl>
<p>can return a list of list of neighbors.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_coordination_environment">
<em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">get_site_coordination_environment</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L349-L362"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_coordination_environment" title="Link to this definition"></a></dt>
<dd><p>Applies the strategy to the structure_environments object in order to define the coordination environment of
a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>site</strong> – Site for which the coordination environment is looked for</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The coordination environment of the site. For complex strategies, where one allows multiple
solutions, this can return a list of coordination environments for the site.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_coordination_environments">
<em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">get_site_coordination_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L364-L377"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Applies the strategy to the structure_environments object in order to define the coordination environment of
a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>site</strong> – Site for which the coordination environment is looked for</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The coordination environment of the site. For complex strategies, where one allows multiple
solutions, this can return a list of coordination environments for the site.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_coordination_environments_fractions">
<em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">get_site_coordination_environments_fractions</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dequivsite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dthissite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mysym</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ordered</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">min_fraction</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_maps</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_strategy_dict_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L379-L403"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_coordination_environments_fractions" title="Link to this definition"></a></dt>
<dd><p>Applies the strategy to the structure_environments object in order to define the coordination environment of
a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>site</strong> – Site for which the coordination environment is looked for</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The coordination environment of the site. For complex strategies, where one allows multiple
solutions, this can return a list of coordination environments for the site.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_neighbors">
<em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">get_site_neighbors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L328-L342"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.get_site_neighbors" title="Link to this definition"></a></dt>
<dd><p>Applies the strategy to the structure_environments object in order to get the neighbors of a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site</strong> – Site for which the neighbors are looked for</p></li>
<li><p><strong>structure_environments</strong> – StructureEnvironments object containing all the information needed to get the
neighbors of the site</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The list of neighbors of the site. For complex strategies, where one allows multiple solutions, this
can return a list of list of neighbors.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.prepare_symmetries">
<span class="sig-name descname"><span class="pre">prepare_symmetries</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L239-L245"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.prepare_symmetries" title="Link to this definition"></a></dt>
<dd><p>Prepare the symmetries for the structure contained in the structure environments.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.set_option">
<span class="sig-name descname"><span class="pre">set_option</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">option_name</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">option_value</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L442-L449"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.set_option" title="Link to this definition"></a></dt>
<dd><p>Set up a given option for this strategy.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>option_name</strong> – Name of the option.</p></li>
<li><p><strong>option_value</strong> – Value for this option.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.set_structure_environments">
<span class="sig-name descname"><span class="pre">set_structure_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L228-L237"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.set_structure_environments" title="Link to this definition"></a></dt>
<dd><p>Set the structure environments to this strategy.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>structure_environments</strong> – StructureEnvironments object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.setup_options">
<span class="sig-name descname"><span class="pre">setup_options</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">all_options_dict</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L451-L458"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.setup_options" title="Link to this definition"></a></dt>
<dd><p>Set up options for this strategy based on a dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>all_options_dict</strong> – Dict of option_name->option_value.</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.symmetry_measure_type">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">symmetry_measure_type</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.symmetry_measure_type" title="Link to this definition"></a></dt>
<dd><p>Type of symmetry measure.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.uniquely_determines_coordination_environments">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">uniquely_determines_coordination_environments</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy.uniquely_determines_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>True if the strategy leads to a unique coordination environment.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AdditionalConditionInt</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">integer</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L161-L192"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">int</span></code>, <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption"><code class="xref py py-class docutils literal notranslate"><span class="pre">StrategyOption</span></code></a></p>
<p>Integer representing an additional condition in a strategy.</p>
<p>Special int representing additional conditions.</p>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.allowed_values">
<span class="sig-name descname"><span class="pre">allowed_values</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">"Integer</span> <span class="pre">amongst</span> <span class="pre">:\n</span> <span class="pre">-</span> <span class="pre">0</span> <span class="pre">for</span> <span class="pre">'No</span> <span class="pre">additional</span> <span class="pre">condition'\n</span> <span class="pre">-</span> <span class="pre">1</span> <span class="pre">for</span> <span class="pre">'Only</span> <span class="pre">anion-cation</span> <span class="pre">bonds'\n</span> <span class="pre">-</span> <span class="pre">2</span> <span class="pre">for</span> <span class="pre">'No</span> <span class="pre">element-element</span> <span class="pre">bonds</span> <span class="pre">(same</span> <span class="pre">elements)'\n</span> <span class="pre">-</span> <span class="pre">3</span> <span class="pre">for</span> <span class="pre">'Only</span> <span class="pre">anion-cation</span> <span class="pre">bonds</span> <span class="pre">and</span> <span class="pre">no</span> <span class="pre">element-element</span> <span class="pre">bonds</span> <span class="pre">(same</span> <span class="pre">elements)'\n</span> <span class="pre">-</span> <span class="pre">4</span> <span class="pre">for</span> <span class="pre">'Only</span> <span class="pre">element-oxygen</span> <span class="pre">bonds'\n"</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.allowed_values" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L177-L183"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.description">
<span class="sig-name descname"><span class="pre">description</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'Only</span> <span class="pre">element-oxygen</span> <span class="pre">bonds'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.description" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L185-L192"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize additional condition from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of the additional condition.</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.integer">
<span class="sig-name descname"><span class="pre">integer</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">4</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt.integer" title="Link to this definition"></a></dt>
<dd></dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AngleCutoffFloat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">cutoff</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L93-L124"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">float</span></code>, <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption"><code class="xref py py-class docutils literal notranslate"><span class="pre">StrategyOption</span></code></a></p>
<p>Angle cutoff in a strategy.</p>
<p>Special float that should be between 0 and 1.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>cutoff</strong> – Angle cutoff.</p>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat.allowed_values">
<span class="sig-name descname"><span class="pre">allowed_values</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'Real</span> <span class="pre">number</span> <span class="pre">between</span> <span class="pre">0</span> <span class="pre">and</span> <span class="pre">1'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat.allowed_values" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L109-L115"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L117-L124"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize angle cutoff from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of the angle cutoff.</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AngleNbSetWeight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">aa</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1304-L1374"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="xref py py-class docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a></p>
<p>Weight of neighbors set based on the angle.</p>
<p>Initialize AngleNbSetWeight estimator.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>aa</strong> – Exponent of the angle for the estimator.</p>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.SHORT_NAME">
<span class="sig-name descname"><span class="pre">SHORT_NAME</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'AngleWeight'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.SHORT_NAME" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.angle_sum">
<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">angle_sum</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1335-L1345"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.angle_sum" title="Link to this definition"></a></dt>
<dd><p>Sum of all angles in a neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>nb_set</strong> – Neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Sum of solid angles for the neighbors set.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.angle_sumn">
<span class="sig-name descname"><span class="pre">angle_sumn</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1347-L1356"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.angle_sumn" title="Link to this definition"></a></dt>
<dd><p>Sum of all angles to a given power in a neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>nb_set</strong> – Neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Sum of solid angles to the power aa for the neighbors set.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1363-L1369"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1371-L1374"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.from_dict" title="Link to this definition"></a></dt>
<dd><p>Construct AngleNbSetWeight from dict representation.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.weight">
<span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1321-L1333"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleNbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AnglePlateauNbSetWeight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">angle_function</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">weight_function</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2428-L2489"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="xref py py-class docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a></p>
<p>Weight of neighbors set based on the angle.</p>
<p>Initialize AnglePlateauNbSetWeight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>angle_function</strong> – Angle function to use.</p></li>
<li><p><strong>weight_function</strong> – Ratio function to use.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.SHORT_NAME">
<span class="sig-name descname"><span class="pre">SHORT_NAME</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'AnglePlateauWeight'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.SHORT_NAME" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2470-L2477"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2479-L2489"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of AnglePlateauNbSetWeight.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>AnglePlateauNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.weight">
<span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2453-L2465"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AnglePlateauNbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">CNBiasNbSetWeight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">cn_weights</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">initialization_options</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1998-L2129"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="xref py py-class docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a></p>
<p>Weight of neighbors set based on specific biases towards specific coordination numbers.</p>
<p>Initialize CNBiasNbSetWeight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>cn_weights</strong> – Weights for each coordination.</p></li>
<li><p><strong>initialization_options</strong> – Options for initialization.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.SHORT_NAME">
<span class="sig-name descname"><span class="pre">SHORT_NAME</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'CNBiasWeight'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.SHORT_NAME" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2033-L2040"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.explicit">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">explicit</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">cn_weights</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2097-L2110"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.explicit" title="Link to this definition"></a></dt>
<dd><p>Initialize weights explicitly for each coordination.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>cn_weights</strong> – Weights for each coordination.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>CNBiasNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.from_description">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_description</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2112-L2129"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.from_description" title="Link to this definition"></a></dt>
<dd><p>Initialize weights from description.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dictionary description.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>CNBiasNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2042-L2055"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of CNBiasNbSetWeight.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>CNBiasNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.geometrically_equidistant">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">geometrically_equidistant</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">weight_cn1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">weight_cn13</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2077-L2095"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.geometrically_equidistant" title="Link to this definition"></a></dt>
<dd><p>Initialize geometrically equidistant weights for each coordination.</p>
<dl class="simple">
<dt>Arge:</dt><dd><p>weight_cn1: Weight of coordination 1.
weight_cn13: Weight of coordination 13.</p>
</dd>
</dl>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>CNBiasNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.linearly_equidistant">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">linearly_equidistant</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">weight_cn1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">weight_cn13</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2057-L2075"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.linearly_equidistant" title="Link to this definition"></a></dt>
<dd><p>Initialize linearly equidistant weights for each coordination.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>weight_cn1</strong> – Weight of coordination 1.</p></li>
<li><p><strong>weight_cn13</strong> – Weight of coordination 13.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>CNBiasNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.weight">
<span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2013-L2025"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CNBiasNbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">CSMFloat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">cutoff</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L127-L158"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">float</span></code>, <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption"><code class="xref py py-class docutils literal notranslate"><span class="pre">StrategyOption</span></code></a></p>
<p>Real number representing a Continuous Symmetry Measure.</p>
<p>Special float that should be between 0 and 100.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>cutoff</strong> – CSM.</p>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat.allowed_values">
<span class="sig-name descname"><span class="pre">allowed_values</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'Real</span> <span class="pre">number</span> <span class="pre">between</span> <span class="pre">0</span> <span class="pre">and</span> <span class="pre">100'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat.allowed_values" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L143-L149"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L151-L158"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize CSM from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of the CSM.</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">DeltaCSMNbSetWeight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">effective_csm_estimator</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">{'function':</span> <span class="pre">'power2_inverse_decreasing',</span> <span class="pre">'options':</span> <span class="pre">{'max_csm':</span> <span class="pre">8.0}}</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">weight_estimator</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">{'function':</span> <span class="pre">'smootherstep',</span> <span class="pre">'options':</span> <span class="pre">{'delta_csm_max':</span> <span class="pre">3.0,</span> <span class="pre">'delta_csm_min':</span> <span class="pre">0.5}}</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">delta_cn_weight_estimators</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'csm_wcs_ctwcc'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1757-L1995"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="xref py py-class docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a></p>
<p>Weight of neighbors set based on the differences of CSM.</p>
<p>Initialize DeltaCSMNbSetWeight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>effective_csm_estimator</strong> – Ratio function used for the effective CSM (comparison between neighbors sets).</p></li>
<li><p><strong>weight_estimator</strong> – Weight estimator within a given neighbors set.</p></li>
<li><p><strong>delta_cn_weight_estimators</strong> – Specific weight estimators for specific cn</p></li>
<li><p><strong>symmetry_measure_type</strong> – Type of symmetry measure to be used.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.DEFAULT_EFFECTIVE_CSM_ESTIMATOR">
<span class="sig-name descname"><span class="pre">DEFAULT_EFFECTIVE_CSM_ESTIMATOR</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'function':</span> <span class="pre">'power2_inverse_decreasing',</span> <span class="pre">'options':</span> <span class="pre">{'max_csm':</span> <span class="pre">8.0}}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.DEFAULT_EFFECTIVE_CSM_ESTIMATOR" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.DEFAULT_SYMMETRY_MEASURE_TYPE">
<span class="sig-name descname"><span class="pre">DEFAULT_SYMMETRY_MEASURE_TYPE</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'csm_wcs_ctwcc'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.DEFAULT_SYMMETRY_MEASURE_TYPE" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.DEFAULT_WEIGHT_ESTIMATOR">
<span class="sig-name descname"><span class="pre">DEFAULT_WEIGHT_ESTIMATOR</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'function':</span> <span class="pre">'smootherstep',</span> <span class="pre">'options':</span> <span class="pre">{'delta_csm_max':</span> <span class="pre">3.0,</span> <span class="pre">'delta_csm_min':</span> <span class="pre">0.5}}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.DEFAULT_WEIGHT_ESTIMATOR" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.SHORT_NAME">
<span class="sig-name descname"><span class="pre">SHORT_NAME</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'DeltaCSMWeight'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.SHORT_NAME" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1965-L1974"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.delta_cn_specifics">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">delta_cn_specifics</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">delta_csm_mins</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">delta_csm_maxs</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">function</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'smootherstep'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'csm_wcs_ctwcc'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">effective_csm_estimator</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">{'function':</span> <span class="pre">'power2_inverse_decreasing',</span> <span class="pre">'options':</span> <span class="pre">{'max_csm':</span> <span class="pre">8.0}}</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1909-L1963"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.delta_cn_specifics" title="Link to this definition"></a></dt>
<dd><p>Initialize DeltaCSMNbSetWeight from specific coordination number differences.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>delta_csm_mins</strong> – Minimums for each coordination number.</p></li>
<li><p><strong>delta_csm_maxs</strong> – Maximums for each coordination number.</p></li>
<li><p><strong>function</strong> – Ratio function used.</p></li>
<li><p><strong>symmetry_measure_type</strong> – Type of symmetry measure to be used.</p></li>
<li><p><strong>effective_csm_estimator</strong> – Ratio function used for the effective CSM (comparison between neighbors sets).</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>DeltaCSMNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1976-L1995"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of DeltaCSMNbSetWeight.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>DeltaCSMNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.weight">
<span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1800-L1896"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaCSMNbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">DeltaDistanceNbSetWeight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">weight_function</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nbs_source</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'voronoi'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2573-L2654"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="xref py py-class docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a></p>
<p>Weight of neighbors set based on the difference of distances.</p>
<p>Initialize DeltaDistanceNbSetWeight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>weight_function</strong> – Ratio function to use.</p></li>
<li><p><strong>nbs_source</strong> – Source of the neighbors.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.SHORT_NAME">
<span class="sig-name descname"><span class="pre">SHORT_NAME</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'DeltaDistanceNbSetWeight'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.SHORT_NAME" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2635-L2642"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2644-L2654"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of DeltaDistanceNbSetWeight.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>DeltaDistanceNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.weight">
<span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2597-L2630"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DeltaDistanceNbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">DistanceAngleAreaNbSetWeight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">weight_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'has_intersection'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">surface_definition</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">{'angle_bounds':</span> <span class="pre">{'lower':</span> <span class="pre">0.1,</span> <span class="pre">'upper':</span> <span class="pre">0.8},</span> <span class="pre">'distance_bounds':</span> <span class="pre">{'lower':</span> <span class="pre">1.2,</span> <span class="pre">'upper':</span> <span class="pre">1.8},</span> <span class="pre">'type':</span> <span class="pre">'standard_elliptic'}</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nb_sets_from_hints</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'fallback_to_source'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">other_nb_sets</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'0_weight'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_condition</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">smoothstep_distance</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">smoothstep_angle</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2132-L2358"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="xref py py-class docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a></p>
<p>Weight of neighbors set based on the area in the distance-angle space.</p>
<p>Initialize CNBiasNbSetWeight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>weight_type</strong> – Type of weight.</p></li>
<li><p><strong>surface_definition</strong> – Definition of the surface.</p></li>
<li><p><strong>nb_sets_from_hints</strong> – How to deal with neighbors sets obtained from “hints”.</p></li>
<li><p><strong>other_nb_sets</strong> – What to do with other neighbors sets.</p></li>
<li><p><strong>additional_condition</strong> – Additional condition to be used.</p></li>
<li><p><strong>smoothstep_distance</strong> – Smoothstep distance.</p></li>
<li><p><strong>smoothstep_angle</strong> – Smoothstep angle.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.AC">
<span class="sig-name descname"><span class="pre">AC</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre"><pymatgen.analysis.chemenv.utils.defs_utils.AdditionalConditions</span> <span class="pre">object></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.AC" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.DEFAULT_SURFACE_DEFINITION">
<span class="sig-name descname"><span class="pre">DEFAULT_SURFACE_DEFINITION</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'angle_bounds':</span> <span class="pre">{'lower':</span> <span class="pre">0.1,</span> <span class="pre">'upper':</span> <span class="pre">0.8},</span> <span class="pre">'distance_bounds':</span> <span class="pre">{'lower':</span> <span class="pre">1.2,</span> <span class="pre">'upper':</span> <span class="pre">1.8},</span> <span class="pre">'type':</span> <span class="pre">'standard_elliptic'}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.DEFAULT_SURFACE_DEFINITION" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.SHORT_NAME">
<span class="sig-name descname"><span class="pre">SHORT_NAME</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'DistAngleAreaWeight'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.SHORT_NAME" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2330-L2340"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2342-L2358"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of DistanceAngleAreaNbSetWeight.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>DistanceAngleAreaNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.rectangle_crosses_area">
<span class="sig-name descname"><span class="pre">rectangle_crosses_area</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">d1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">d2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">a1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">a2</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2281-L2316"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.rectangle_crosses_area" title="Link to this definition"></a></dt>
<dd><p>Whether a given rectangle crosses the area defined by the upper and lower curves.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>d1</strong> – lower d.</p></li>
<li><p><strong>d2</strong> – upper d.</p></li>
<li><p><strong>a1</strong> – lower a.</p></li>
<li><p><strong>a2</strong> – upper a.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.w_area_has_intersection">
<span class="sig-name descname"><span class="pre">w_area_has_intersection</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2212-L2229"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.w_area_has_intersection" title="Link to this definition"></a></dt>
<dd><p>Get intersection of the neighbors set area with the surface.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments.</p></li>
<li><p><strong>cn_map</strong> – Mapping index of the neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Area intersection between neighbors set and surface.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.w_area_intersection_nbsfh_fbs_onb0">
<span class="sig-name descname"><span class="pre">w_area_intersection_nbsfh_fbs_onb0</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2231-L2279"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.w_area_intersection_nbsfh_fbs_onb0" title="Link to this definition"></a></dt>
<dd><p>Get intersection of the neighbors set area with the surface.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments.</p></li>
<li><p><strong>cn_map</strong> – Mapping index of the neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Area intersection between neighbors set and surface.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.weight">
<span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2193-L2210"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceAngleAreaNbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">DistanceCutoffFloat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">cutoff</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L59-L90"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">float</span></code>, <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption"><code class="xref py py-class docutils literal notranslate"><span class="pre">StrategyOption</span></code></a></p>
<p>Distance cutoff in a strategy.</p>
<p>Special float that should be between 1 and infinity.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>cutoff</strong> – Distance cutoff.</p>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat.allowed_values">
<span class="sig-name descname"><span class="pre">allowed_values</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'Real</span> <span class="pre">number</span> <span class="pre">between</span> <span class="pre">1</span> <span class="pre">and</span> <span class="pre">+infinity'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat.allowed_values" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L75-L81"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L83-L90"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize distance cutoff from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of the distance cutoff.</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">DistanceNbSetWeight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">weight_function</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nbs_source</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'voronoi'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2492-L2570"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="xref py py-class docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a></p>
<p>Weight of neighbors set based on the distance.</p>
<p>Initialize DistanceNbSetWeight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>weight_function</strong> – Ratio function to use.</p></li>
<li><p><strong>nbs_source</strong> – Source of the neighbors.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.SHORT_NAME">
<span class="sig-name descname"><span class="pre">SHORT_NAME</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'DistanceNbSetWeight'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.SHORT_NAME" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2551-L2558"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSOnable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2560-L2570"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of DistanceNbSetWeight.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>DistanceNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.weight">
<span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2516-L2546"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceNbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">DistancePlateauNbSetWeight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">distance_function</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">weight_function</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2361-L2425"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="xref py py-class docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a></p>
<p>Weight of neighbors set based on the distance.</p>
<p>Initialize DistancePlateauNbSetWeight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>distance_function</strong> – Distance function to use.</p></li>
<li><p><strong>weight_function</strong> – Ratio function to use.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.SHORT_NAME">
<span class="sig-name descname"><span class="pre">SHORT_NAME</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'DistancePlateauWeight'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.SHORT_NAME" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2403-L2410"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2412-L2425"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of DistancePlateauNbSetWeight.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>DistancePlateauNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.weight">
<span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2386-L2398"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistancePlateauNbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">MultiWeightsChemenvStrategy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_condition</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'csm_wcs_ctwcc'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dist_ang_area_weight</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">self_csm_weight</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">delta_csm_weight</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_bias_weight</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">angle_weight</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">normalized_angle_distance_weight</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ce_estimator</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">{'function':</span> <span class="pre">'power2_inverse_power2_decreasing',</span> <span class="pre">'options':</span> <span class="pre">{'max_csm':</span> <span class="pre">8.0}}</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2956-L3151"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy"><code class="xref py py-class docutils literal notranslate"><span class="pre">WeightedNbSetChemenvStrategy</span></code></a></p>
<p>MultiWeightsChemenvStrategy.</p>
<p>Constructor for the MultiWeightsChemenvStrategy.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>structure_environments</strong> – StructureEnvironments object containing all the information on the
coordination of the sites in a structure.</p>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.DEFAULT_CE_ESTIMATOR">
<span class="sig-name descname"><span class="pre">DEFAULT_CE_ESTIMATOR</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'function':</span> <span class="pre">'power2_inverse_power2_decreasing',</span> <span class="pre">'options':</span> <span class="pre">{'max_csm':</span> <span class="pre">8.0}}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.DEFAULT_CE_ESTIMATOR" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.STRATEGY_DESCRIPTION">
<span class="sig-name descname"><span class="pre">STRATEGY_DESCRIPTION</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'Multi</span> <span class="pre">Weights</span> <span class="pre">ChemenvStrategy'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.STRATEGY_DESCRIPTION" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L3090-L3113"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.as_dict" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>Bson-serializable dict representation of the MultiWeightsChemenvStrategy object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L3115-L3151"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the MultiWeightsChemenvStrategy object from a dict representation of the
MultipleAbundanceChemenvStrategy object created using the as_dict method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – dict representation of the MultiWeightsChemenvStrategy object</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>MultiWeightsChemenvStrategy object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.stats_article_weights_parameters">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">stats_article_weights_parameters</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L3035-L3067"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.stats_article_weights_parameters" title="Link to this definition"></a></dt>
<dd><p>Initialize strategy used in the statistics article.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.uniquely_determines_coordination_environments">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">uniquely_determines_coordination_environments</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy.uniquely_determines_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Whether this strategy uniquely determines coordination environments.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">NbSetWeight</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1282-L1301"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">MSONable</span></code>, <code class="xref py py-class docutils literal notranslate"><span class="pre">ABC</span></code></p>
<p>Abstract base class for neighbor set weight estimations.</p>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight.as_dict">
<em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1285-L1287"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>A JSON-serializable dict representation of this neighbors set weight.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight.weight">
<em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1289-L1301"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">NormalizedAngleDistanceNbSetWeight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">average_type</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">aa</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bb</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1377-L1579"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="xref py py-class docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a></p>
<p>Weight of neighbors set based on the normalized angle/distance.</p>
<p>Initialize NormalizedAngleDistanceNbSetWeight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>average_type</strong> – Average function.</p></li>
<li><p><strong>aa</strong> – Exponent for the angle values.</p></li>
<li><p><strong>bb</strong> – Exponent for the distance values.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.SHORT_NAME">
<span class="sig-name descname"><span class="pre">SHORT_NAME</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'NormAngleDistWeight'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.SHORT_NAME" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.ang">
<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">ang</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1470-L1480"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.ang" title="Link to this definition"></a></dt>
<dd><p>Angle weight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>nb_set</strong> – Neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of angle weights.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.anginvdist">
<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">anginvdist</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1493-L1504"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.anginvdist" title="Link to this definition"></a></dt>
<dd><p>Angle/distance weight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>nb_set</strong> – Neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of angle/distance weights.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.anginvndist">
<span class="sig-name descname"><span class="pre">anginvndist</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1506-L1516"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.anginvndist" title="Link to this definition"></a></dt>
<dd><p>Angle/power distance weight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>nb_set</strong> – Neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of angle/power distance weights.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.angn">
<span class="sig-name descname"><span class="pre">angn</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1482-L1491"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.angn" title="Link to this definition"></a></dt>
<dd><p>Power angle weight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>nb_set</strong> – Neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of power angle weights.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.angninvdist">
<span class="sig-name descname"><span class="pre">angninvdist</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1518-L1528"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.angninvdist" title="Link to this definition"></a></dt>
<dd><p>Power angle/distance weight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>nb_set</strong> – Neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of power angle/distance weights.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.angninvndist">
<span class="sig-name descname"><span class="pre">angninvndist</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1530-L1540"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.angninvndist" title="Link to this definition"></a></dt>
<dd><p>Power angle/power distance weight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>nb_set</strong> – Neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of power angle/power distance weights.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1425-L1433"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.aweight">
<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">aweight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fda_list</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1569-L1579"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.aweight" title="Link to this definition"></a></dt>
<dd><p>Standard mean of the weights.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>fda_list</strong> – List of estimator weights for each neighbor.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Standard mean of the weights.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1435-L1445"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of NormalizedAngleDistanceNbSetWeight.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>NormalizedAngleDistanceNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.gweight">
<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">gweight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fda_list</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1557-L1567"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.gweight" title="Link to this definition"></a></dt>
<dd><p>Geometric mean of the weights.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>fda_list</strong> – List of estimator weights for each neighbor.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Geometric mean of the weights.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.invdist">
<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">invdist</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1447-L1457"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.invdist" title="Link to this definition"></a></dt>
<dd><p>Inverse distance weight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>nb_set</strong> – Neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of inverse distances.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.invndist">
<span class="sig-name descname"><span class="pre">invndist</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1459-L1468"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.invndist" title="Link to this definition"></a></dt>
<dd><p>Inverse power distance weight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>nb_set</strong> – Neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of inverse power distances.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.weight">
<span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1542-L1555"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NormalizedAngleDistanceNbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">SelfCSMNbSetWeight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">effective_csm_estimator</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">{'function':</span> <span class="pre">'power2_inverse_decreasing',</span> <span class="pre">'options':</span> <span class="pre">{'max_csm':</span> <span class="pre">8.0}}</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">weight_estimator</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">{'function':</span> <span class="pre">'power2_decreasing_exp',</span> <span class="pre">'options':</span> <span class="pre">{'alpha':</span> <span class="pre">1,</span> <span class="pre">'max_csm':</span> <span class="pre">8.0}}</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'csm_wcs_ctwcc'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1654-L1754"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.NbSetWeight"><code class="xref py py-class docutils literal notranslate"><span class="pre">NbSetWeight</span></code></a></p>
<p>Weight of neighbors set based on the Self CSM.</p>
<p>Initialize SelfCSMNbSetWeight.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>effective_csm_estimator</strong> – Ratio function used for the effective CSM (comparison between neighbors sets).</p></li>
<li><p><strong>weight_estimator</strong> – Weight estimator within a given neighbors set.</p></li>
<li><p><strong>symmetry_measure_type</strong> – Type of symmetry measure to be used.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.DEFAULT_EFFECTIVE_CSM_ESTIMATOR">
<span class="sig-name descname"><span class="pre">DEFAULT_EFFECTIVE_CSM_ESTIMATOR</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'function':</span> <span class="pre">'power2_inverse_decreasing',</span> <span class="pre">'options':</span> <span class="pre">{'max_csm':</span> <span class="pre">8.0}}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.DEFAULT_EFFECTIVE_CSM_ESTIMATOR" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.DEFAULT_SYMMETRY_MEASURE_TYPE">
<span class="sig-name descname"><span class="pre">DEFAULT_SYMMETRY_MEASURE_TYPE</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'csm_wcs_ctwcc'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.DEFAULT_SYMMETRY_MEASURE_TYPE" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.DEFAULT_WEIGHT_ESTIMATOR">
<span class="sig-name descname"><span class="pre">DEFAULT_WEIGHT_ESTIMATOR</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'function':</span> <span class="pre">'power2_decreasing_exp',</span> <span class="pre">'options':</span> <span class="pre">{'alpha':</span> <span class="pre">1,</span> <span class="pre">'max_csm':</span> <span class="pre">8.0}}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.DEFAULT_WEIGHT_ESTIMATOR" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.SHORT_NAME">
<span class="sig-name descname"><span class="pre">SHORT_NAME</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'SelfCSMWeight'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.SHORT_NAME" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1730-L1738"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.as_dict" title="Link to this definition"></a></dt>
<dd><p>MSONable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1740-L1754"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.from_dict" title="Link to this definition"></a></dt>
<dd><p>Initialize from dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> (<em>dict</em>) – Dict representation of SelfCSMNbSetWeight.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>SelfCSMNbSetWeight.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.weight">
<span class="sig-name descname"><span class="pre">weight</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1689-L1718"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SelfCSMNbSetWeight.weight" title="Link to this definition"></a></dt>
<dd><p>Get the weight of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments used to estimate weight.</p></li>
<li><p><strong>cn_map</strong> – Mapping index for this neighbors set.</p></li>
<li><p><strong>additional_info</strong> – Additional information.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Weight of the neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">SimpleAbundanceChemenvStrategy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_condition</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'csm_wcs_ctwcc'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L903-L1099"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy"><code class="xref py py-class docutils literal notranslate"><span class="pre">AbstractChemenvStrategy</span></code></a></p>
<p>Simple ChemenvStrategy using the neighbors that are the most “abundant” in the grid of angle and distance
parameters for the definition of neighbors in the Voronoi approach.
The coordination environment is then given as the one with the lowest continuous symmetry measure.</p>
<p>Constructor for the SimpleAbundanceChemenvStrategy.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>structure_environments</strong> – StructureEnvironments object containing all the information on the
coordination of the sites in a structure.</p>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.DEFAULT_ADDITIONAL_CONDITION">
<span class="sig-name descname"><span class="pre">DEFAULT_ADDITIONAL_CONDITION</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">1</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.DEFAULT_ADDITIONAL_CONDITION" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.DEFAULT_MAX_DIST">
<span class="sig-name descname"><span class="pre">DEFAULT_MAX_DIST</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">2.0</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.DEFAULT_MAX_DIST" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.STRATEGY_DESCRIPTION">
<span class="sig-name descname"><span class="pre">STRATEGY_DESCRIPTION</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'Simple</span> <span class="pre">Abundance</span> <span class="pre">ChemenvStrategy</span> <span class="pre">using</span> <span class="pre">the</span> <span class="pre">most</span> <span class="pre">"abundant"</span> <span class="pre">neighbors</span> <span class="pre">map</span> <span class="pre">\nfor</span> <span class="pre">the</span> <span class="pre">definition</span> <span class="pre">of</span> <span class="pre">neighbors</span> <span class="pre">in</span> <span class="pre">the</span> <span class="pre">Voronoi</span> <span class="pre">approach.</span> <span class="pre">\nThe</span> <span class="pre">coordination</span> <span class="pre">environment</span> <span class="pre">is</span> <span class="pre">then</span> <span class="pre">given</span> <span class="pre">as</span> <span class="pre">the</span> <span class="pre">one</span> <span class="pre">with</span> <span class="pre">the</span> <span class="pre">\nlowest</span> <span class="pre">continuous</span> <span class="pre">symmetry</span> <span class="pre">measure.'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.STRATEGY_DESCRIPTION" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.STRATEGY_OPTIONS">
<span class="sig-name descname"><span class="pre">STRATEGY_OPTIONS</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span><span class="p"><span class="pre">[</span></span><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">dict</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'additional_condition':</span> <span class="pre">{'default':</span> <span class="pre">1,</span> <span class="pre">'internal':</span> <span class="pre">'_additional_condition',</span> <span class="pre">'type':</span> <span class="pre"><class</span> <span class="pre">'pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt'>},</span> <span class="pre">'surface_calculation_type':</span> <span class="pre">{}}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.STRATEGY_OPTIONS" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1074-L1085"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.as_dict" title="Link to this definition"></a></dt>
<dd><p>Bson-serializable dict representation of the SimpleAbundanceChemenvStrategy object.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>Bson-serializable dict representation of the SimpleAbundanceChemenvStrategy object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1087-L1099"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the SimpleAbundanceChemenvStrategy object from a dict representation of the
SimpleAbundanceChemenvStrategy object created using the as_dict method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – dict representation of the SimpleAbundanceChemenvStrategy object</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>StructureEnvironments object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.get_site_coordination_environment">
<span class="sig-name descname"><span class="pre">get_site_coordination_environment</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dequivsite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dthissite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mysym</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L968-L1008"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.get_site_coordination_environment" title="Link to this definition"></a></dt>
<dd><p>Get the coordination environment of a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site</strong> – Site for which coordination environment is needed.</p></li>
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>dequivsite</strong> – Translation of the equivalent site.</p></li>
<li><p><strong>dthissite</strong> – Translation of this site.</p></li>
<li><p><strong>mysym</strong> – Symmetry to be applied.</p></li>
<li><p><strong>return_map</strong> – Whether to return cn_map (identifies the NeighborsSet used).</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Coordination environment of site.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.get_site_coordination_environments">
<span class="sig-name descname"><span class="pre">get_site_coordination_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dequivsite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dthissite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mysym</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_maps</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1010-L1041"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.get_site_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Get the coordination environments of a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site</strong> – Site for which coordination environment is needed.</p></li>
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>dequivsite</strong> – Translation of the equivalent site.</p></li>
<li><p><strong>dthissite</strong> – Translation of this site.</p></li>
<li><p><strong>mysym</strong> – Symmetry to be applied.</p></li>
<li><p><strong>return_maps</strong> – Whether to return cn_maps (identifies all the NeighborsSet used).</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of coordination environment.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.get_site_neighbors">
<span class="sig-name descname"><span class="pre">get_site_neighbors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L949-L966"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.get_site_neighbors" title="Link to this definition"></a></dt>
<dd><p>Get the neighbors of a given site with this strategy.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>site</strong> – Periodic site.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of neighbors of site.</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.uniquely_determines_coordination_environments">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">uniquely_determines_coordination_environments</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy.uniquely_determines_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Whether this strategy uniquely determines coordination environments.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">SimplestChemenvStrategy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distance_cutoff</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1.4</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">angle_cutoff</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.3</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_condition</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">continuous_symmetry_measure_cutoff</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">10</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'csm_wcs_ctwcc'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L506-L900"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy"><code class="xref py py-class docutils literal notranslate"><span class="pre">AbstractChemenvStrategy</span></code></a></p>
<p>Simplest ChemenvStrategy using fixed angle and distance parameters for the definition of neighbors in the
Voronoi approach. The coordination environment is then given as the one with the lowest continuous symmetry measure.</p>
<p>Constructor for this SimplestChemenvStrategy.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>distance_cutoff</strong> – Distance cutoff used</p></li>
<li><p><strong>angle_cutoff</strong> – Angle cutoff used.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_ADDITIONAL_CONDITION">
<span class="sig-name descname"><span class="pre">DEFAULT_ADDITIONAL_CONDITION</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">1</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_ADDITIONAL_CONDITION" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_ANGLE_CUTOFF">
<span class="sig-name descname"><span class="pre">DEFAULT_ANGLE_CUTOFF</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">0.3</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_ANGLE_CUTOFF" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_CONTINUOUS_SYMMETRY_MEASURE_CUTOFF">
<span class="sig-name descname"><span class="pre">DEFAULT_CONTINUOUS_SYMMETRY_MEASURE_CUTOFF</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">10</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_CONTINUOUS_SYMMETRY_MEASURE_CUTOFF" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_DISTANCE_CUTOFF">
<span class="sig-name descname"><span class="pre">DEFAULT_DISTANCE_CUTOFF</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">1.4</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.DEFAULT_DISTANCE_CUTOFF" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.STRATEGY_DESCRIPTION">
<span class="sig-name descname"><span class="pre">STRATEGY_DESCRIPTION</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'Simplest</span> <span class="pre">ChemenvStrategy</span> <span class="pre">using</span> <span class="pre">fixed</span> <span class="pre">angle</span> <span class="pre">and</span> <span class="pre">distance</span> <span class="pre">parameters</span> <span class="pre">\nfor</span> <span class="pre">the</span> <span class="pre">definition</span> <span class="pre">of</span> <span class="pre">neighbors</span> <span class="pre">in</span> <span class="pre">the</span> <span class="pre">Voronoi</span> <span class="pre">approach.</span> <span class="pre">\nThe</span> <span class="pre">coordination</span> <span class="pre">environment</span> <span class="pre">is</span> <span class="pre">then</span> <span class="pre">given</span> <span class="pre">as</span> <span class="pre">the</span> <span class="pre">one</span> <span class="pre">with</span> <span class="pre">the</span> <span class="pre">\nlowest</span> <span class="pre">continuous</span> <span class="pre">symmetry</span> <span class="pre">measure.'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.STRATEGY_DESCRIPTION" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.STRATEGY_OPTIONS">
<span class="sig-name descname"><span class="pre">STRATEGY_OPTIONS</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span><span class="p"><span class="pre">[</span></span><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">dict</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'additional_condition':</span> <span class="pre">{'default':</span> <span class="pre">1,</span> <span class="pre">'internal':</span> <span class="pre">'_additional_condition',</span> <span class="pre">'type':</span> <span class="pre"><class</span> <span class="pre">'pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt'>},</span> <span class="pre">'angle_cutoff':</span> <span class="pre">{'default':</span> <span class="pre">0.3,</span> <span class="pre">'internal':</span> <span class="pre">'_angle_cutoff',</span> <span class="pre">'type':</span> <span class="pre"><class</span> <span class="pre">'pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AngleCutoffFloat'>},</span> <span class="pre">'continuous_symmetry_measure_cutoff':</span> <span class="pre">{'default':</span> <span class="pre">10,</span> <span class="pre">'internal':</span> <span class="pre">'_continuous_symmetry_measure_cutoff',</span> <span class="pre">'type':</span> <span class="pre"><class</span> <span class="pre">'pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.CSMFloat'>},</span> <span class="pre">'distance_cutoff':</span> <span class="pre">{'default':</span> <span class="pre">1.4,</span> <span class="pre">'internal':</span> <span class="pre">'_distance_cutoff',</span> <span class="pre">'type':</span> <span class="pre"><class</span> <span class="pre">'pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.DistanceCutoffFloat'>}}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.STRATEGY_OPTIONS" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.add_strategy_visualization_to_subplot">
<span class="sig-name descname"><span class="pre">add_strategy_visualization_to_subplot</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">subplot</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">visualization_options</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">plot_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L835-L851"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.add_strategy_visualization_to_subplot" title="Link to this definition"></a></dt>
<dd><p>Add a visual of the strategy on a distance-angle plot.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>subplot</strong> – Axes object onto the visual should be added.</p></li>
<li><p><strong>visualization_options</strong> – Options for the visual.</p></li>
<li><p><strong>plot_type</strong> – Type of distance-angle plot.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.additional_condition">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">additional_condition</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AdditionalConditionInt"><span class="pre">AdditionalConditionInt</span></a></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.additional_condition" title="Link to this definition"></a></dt>
<dd><p>Additional condition for this strategy.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.angle_cutoff">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">angle_cutoff</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.angle_cutoff" title="Link to this definition"></a></dt>
<dd><p>Angle cutoff used.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L865-L880"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.as_dict" title="Link to this definition"></a></dt>
<dd><p>Bson-serializable dict representation of the SimplestChemenvStrategy object.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>Bson-serializable dict representation of the SimplestChemenvStrategy object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.continuous_symmetry_measure_cutoff">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">continuous_symmetry_measure_cutoff</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.continuous_symmetry_measure_cutoff" title="Link to this definition"></a></dt>
<dd><p>CSM cutoff used.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.distance_cutoff">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">distance_cutoff</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.distance_cutoff" title="Link to this definition"></a></dt>
<dd><p>Distance cutoff used.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L882-L900"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the SimplestChemenvStrategy object from a dict representation of the SimplestChemenvStrategy object
created using the as_dict method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – dict representation of the SimplestChemenvStrategy object</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>StructureEnvironments object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_coordination_environment">
<span class="sig-name descname"><span class="pre">get_site_coordination_environment</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dequivsite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dthissite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mysym</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L665-L743"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_coordination_environment" title="Link to this definition"></a></dt>
<dd><p>Get the coordination environment of a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site</strong> – Site for which coordination environment is needed.</p></li>
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>dequivsite</strong> – Translation of the equivalent site.</p></li>
<li><p><strong>dthissite</strong> – Translation of this site.</p></li>
<li><p><strong>mysym</strong> – Symmetry to be applied.</p></li>
<li><p><strong>return_map</strong> – Whether to return cn_map (identifies the NeighborsSet used).</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Coordination environment of site.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_coordination_environments">
<span class="sig-name descname"><span class="pre">get_site_coordination_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dequivsite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dthissite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mysym</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_maps</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L803-L833"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Get the coordination environments of a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site</strong> – Site for which coordination environment is needed.</p></li>
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>dequivsite</strong> – Translation of the equivalent site.</p></li>
<li><p><strong>dthissite</strong> – Translation of this site.</p></li>
<li><p><strong>mysym</strong> – Symmetry to be applied.</p></li>
<li><p><strong>return_maps</strong> – Whether to return cn_maps (identifies all the NeighborsSet used).</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of coordination environment.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_coordination_environments_fractions">
<span class="sig-name descname"><span class="pre">get_site_coordination_environments_fractions</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dequivsite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dthissite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mysym</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ordered</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">min_fraction</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_maps</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_strategy_dict_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L745-L801"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_coordination_environments_fractions" title="Link to this definition"></a></dt>
<dd><p>Get the coordination environments of a given site and additional information.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site</strong> – Site for which coordination environment is needed.</p></li>
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>dequivsite</strong> – Translation of the equivalent site.</p></li>
<li><p><strong>dthissite</strong> – Translation of this site.</p></li>
<li><p><strong>mysym</strong> – Symmetry to be applied.</p></li>
<li><p><strong>ordered</strong> – Whether to order the list by fractions.</p></li>
<li><p><strong>min_fraction</strong> – Minimum fraction to include in the list</p></li>
<li><p><strong>return_maps</strong> – Whether to return cn_maps (identifies all the NeighborsSet used).</p></li>
<li><p><strong>return_strategy_dict_info</strong> – Whether to add the info about the strategy used.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of Dict with coordination environment, fraction and additional info.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_neighbors">
<span class="sig-name descname"><span class="pre">get_site_neighbors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dequivsite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dthissite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mysym</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L630-L663"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.get_site_neighbors" title="Link to this definition"></a></dt>
<dd><p>Get the neighbors of a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site</strong> – Site for which neighbors are needed.</p></li>
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>dequivsite</strong> – Translation of the equivalent site.</p></li>
<li><p><strong>dthissite</strong> – Translation of this site.</p></li>
<li><p><strong>mysym</strong> – Symmetry to be applied.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of coordinated neighbors of site.</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.uniquely_determines_coordination_environments">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">uniquely_determines_coordination_environments</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimplestChemenvStrategy.uniquely_determines_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Whether this strategy uniquely determines coordination environments.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">StrategyOption</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L49-L56"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">MSONable</span></code>, <code class="xref py py-class docutils literal notranslate"><span class="pre">ABC</span></code></p>
<p>Abstract class for the options of the chemenv strategies.</p>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption.allowed_values">
<span class="sig-name descname"><span class="pre">allowed_values</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption.allowed_values" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption.as_dict">
<em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L54-L56"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.StrategyOption.as_dict" title="Link to this definition"></a></dt>
<dd><p>A JSON-serializable dict representation of this strategy option.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">TargetedPenaltiedAbundanceChemenvStrategy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">truncate_dist_ang</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_condition</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_nabundant</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">target_environments</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">('O:6',)</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">target_penalty_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'max_csm'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_csm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">5.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'csm_wcs_ctwcc'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1102-L1279"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.SimpleAbundanceChemenvStrategy"><code class="xref py py-class docutils literal notranslate"><span class="pre">SimpleAbundanceChemenvStrategy</span></code></a></p>
<p>Simple ChemenvStrategy using the neighbors that are the most “abundant” in the grid of angle and distance
parameters for the definition of neighbors in the Voronoi approach, with a bias for a given list of target
environments. This can be useful in the case of, e.g. connectivity search of some given environment.
The coordination environment is then given as the one with the lowest continuous symmetry measure.</p>
<p>Initialize strategy.</p>
<p>Not yet implemented.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>structure_environments</strong></p></li>
<li><p><strong>truncate_dist_ang</strong></p></li>
<li><p><strong>additional_condition</strong></p></li>
<li><p><strong>max_nabundant</strong></p></li>
<li><p><strong>target_environments</strong></p></li>
<li><p><strong>target_penalty_type</strong></p></li>
<li><p><strong>max_csm</strong></p></li>
<li><p><strong>symmetry_measure_type</strong></p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.DEFAULT_TARGET_ENVIRONMENTS">
<span class="sig-name descname"><span class="pre">DEFAULT_TARGET_ENVIRONMENTS</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">('O:6',)</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.DEFAULT_TARGET_ENVIRONMENTS" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1232-L1247"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.as_dict" title="Link to this definition"></a></dt>
<dd><p>Bson-serializable dict representation of the TargetedPenaltiedAbundanceChemenvStrategy object.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>Bson-serializable dict representation of the TargetedPenaltiedAbundanceChemenvStrategy object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1261-L1279"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the TargetedPenaltiedAbundanceChemenvStrategy object from a dict representation of the
TargetedPenaltiedAbundanceChemenvStrategy object created using the as_dict method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – dict representation of the TargetedPenaltiedAbundanceChemenvStrategy object</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>TargetedPenaltiedAbundanceChemenvStrategy object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.get_site_coordination_environment">
<span class="sig-name descname"><span class="pre">get_site_coordination_environment</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dequivsite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dthissite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mysym</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1150-L1190"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.get_site_coordination_environment" title="Link to this definition"></a></dt>
<dd><p>Get the coordination environment of a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site</strong> – Site for which coordination environment is needed.</p></li>
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>dequivsite</strong> – Translation of the equivalent site.</p></li>
<li><p><strong>dthissite</strong> – Translation of this site.</p></li>
<li><p><strong>mysym</strong> – Symmetry to be applied.</p></li>
<li><p><strong>return_map</strong> – Whether to return cn_map (identifies the NeighborsSet used).</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Coordination environment of site.</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.uniquely_determines_coordination_environments">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">uniquely_determines_coordination_environments</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.TargetedPenaltiedAbundanceChemenvStrategy.uniquely_determines_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Whether this strategy uniquely determines coordination environments.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">WeightedNbSetChemenvStrategy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_condition</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'csm_wcs_ctwcc'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nb_set_weights</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ce_estimator</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">{'function':</span> <span class="pre">'power2_inverse_power2_decreasing',</span> <span class="pre">'options':</span> <span class="pre">{'max_csm':</span> <span class="pre">8.0}}</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2657-L2953"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy" title="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.AbstractChemenvStrategy"><code class="xref py py-class docutils literal notranslate"><span class="pre">AbstractChemenvStrategy</span></code></a></p>
<p>WeightedNbSetChemenvStrategy.</p>
<p>Constructor for the WeightedNbSetChemenvStrategy.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>structure_environments</strong> – StructureEnvironments object containing all the information on the
coordination of the sites in a structure.</p>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.DEFAULT_CE_ESTIMATOR">
<span class="sig-name descname"><span class="pre">DEFAULT_CE_ESTIMATOR</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'function':</span> <span class="pre">'power2_inverse_power2_decreasing',</span> <span class="pre">'options':</span> <span class="pre">{'max_csm':</span> <span class="pre">8.0}}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.DEFAULT_CE_ESTIMATOR" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.STRATEGY_DESCRIPTION">
<span class="sig-name descname"><span class="pre">STRATEGY_DESCRIPTION</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'</span>    <span class="pre">WeightedNbSetChemenvStrategy'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.STRATEGY_DESCRIPTION" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2920-L2934"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.as_dict" title="Link to this definition"></a></dt>
<dd><p>Bson-serializable dict representation of the WeightedNbSetChemenvStrategy object.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>Bson-serializable dict representation of the WeightedNbSetChemenvStrategy object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2936-L2953"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the WeightedNbSetChemenvStrategy object from a dict representation of the
WeightedNbSetChemenvStrategy object created using the as_dict method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – dict representation of the WeightedNbSetChemenvStrategy object</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>WeightedNbSetChemenvStrategy object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_coordination_environment">
<span class="sig-name descname"><span class="pre">get_site_coordination_environment</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2862-L2866"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_coordination_environment" title="Link to this definition"></a></dt>
<dd><p>Get the coordination environment of a given site.</p>
<p>Not implemented for this strategy</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_coordination_environments">
<span class="sig-name descname"><span class="pre">get_site_coordination_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dequivsite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dthissite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mysym</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_maps</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2874-L2907"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Get the coordination environments of a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site</strong> – Site for which coordination environment is needed.</p></li>
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>dequivsite</strong> – Translation of the equivalent site.</p></li>
<li><p><strong>dthissite</strong> – Translation of this site.</p></li>
<li><p><strong>mysym</strong> – Symmetry to be applied.</p></li>
<li><p><strong>return_maps</strong> – Whether to return cn_maps (identifies all the NeighborsSet used).</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of coordination environment.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_coordination_environments_fractions">
<span class="sig-name descname"><span class="pre">get_site_coordination_environments_fractions</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dequivsite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dthissite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mysym</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ordered</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">min_fraction</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_maps</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_strategy_dict_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">return_all</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2698-L2860"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_coordination_environments_fractions" title="Link to this definition"></a></dt>
<dd><p>Get the coordination environments of a given site and additional information.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>site</strong> – Site for which coordination environment is needed.</p></li>
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>dequivsite</strong> – Translation of the equivalent site.</p></li>
<li><p><strong>dthissite</strong> – Translation of this site.</p></li>
<li><p><strong>mysym</strong> – Symmetry to be applied.</p></li>
<li><p><strong>ordered</strong> – Whether to order the list by fractions.</p></li>
<li><p><strong>min_fraction</strong> – Minimum fraction to include in the list</p></li>
<li><p><strong>return_maps</strong> – Whether to return cn_maps (identifies all the NeighborsSet used).</p></li>
<li><p><strong>return_strategy_dict_info</strong> – Whether to add the info about the strategy used.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of Dict with coordination environment, fraction and additional info.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_neighbors">
<span class="sig-name descname"><span class="pre">get_site_neighbors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L2868-L2872"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.get_site_neighbors" title="Link to this definition"></a></dt>
<dd><p>Get the neighbors of a given site.</p>
<p>Not implemented for this strategy.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.uniquely_determines_coordination_environments">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">uniquely_determines_coordination_environments</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.WeightedNbSetChemenvStrategy.uniquely_determines_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Whether this strategy uniquely determines coordination environments.</p>
</dd></dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.get_effective_csm">
<span class="sig-name descname"><span class="pre">get_effective_csm</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_effective_csm</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">effective_csm_estimator_ratio_function</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1582-L1632"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.get_effective_csm" title="Link to this definition"></a></dt>
<dd><p>Get the effective continuous symmetry measure of a given neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>nb_set</strong> – Neighbors set.</p></li>
<li><p><strong>cn_map</strong> – Mapping index of this neighbors set.</p></li>
<li><p><strong>structure_environments</strong> – Structure environments.</p></li>
<li><p><strong>additional_info</strong> – Additional information for the neighbors set.</p></li>
<li><p><strong>symmetry_measure_type</strong> – Type of symmetry measure to be used in the effective CSM.</p></li>
<li><p><strong>max_effective_csm</strong> – Max CSM to use for the effective CSM calculation.</p></li>
<li><p><strong>effective_csm_estimator_ratio_function</strong> – Ratio function to use to compute effective CSM.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Effective CSM of a given Neighbors set.</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.set_info">
<span class="sig-name descname"><span class="pre">set_info</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">additional_info</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">field</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn_map</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">value</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/chemenv_strategies.py#L1635-L1651"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.set_info" title="Link to this definition"></a></dt>
<dd><p>Set additional information for the weights.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>additional_info</strong> – Additional information.</p></li>
<li><p><strong>field</strong> – Type of additional information.</p></li>
<li><p><strong>isite</strong> – Index of site to add info.</p></li>
<li><p><strong>cn_map</strong> – Mapping index of the neighbors set.</p></li>
<li><p><strong>value</strong> – Value of this additional information.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
</section>
<section id="module-pymatgen.analysis.chemenv.coordination_environments.coordination_geometries">
<span id="pymatgen-analysis-chemenv-coordination-environments-coordination-geometries-module"></span><h2>pymatgen.analysis.chemenv.coordination_environments.coordination_geometries module<a class="headerlink" href="#module-pymatgen.analysis.chemenv.coordination_environments.coordination_geometries" title="Link to this heading"></a></h2>
<p>This module contains the class describing the coordination geometries that can exist in a given structure. These
“model” coordination geometries are described in the following articles :</p>
<blockquote>
<div><ul class="simple">
<li><p>Pure Appl. Chem., Vol. 79, No. 10, pp. 1779–1799, 2007.</p></li>
<li><p>Acta Cryst. A, Vol. 46, No. 1, pp. 1–11, 1990.</p></li>
</ul>
</div></blockquote>
<p>The module also contains descriptors of part of these geometries (plane of separation, …) that are used in the
identification algorithms.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AbstractChemenvAlgorithm</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">algorithm_type</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L43-L69"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">MSONable</span></code>, <code class="xref py py-class docutils literal notranslate"><span class="pre">ABC</span></code></p>
<p>Base class used to define a Chemenv algorithm used to identify the correct permutation for the computation
of the Continuous Symmetry Measure.</p>
<p>Base constructor for ChemenvAlgorithm.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>algorithm_type</strong> (<em>str</em>) – Type of algorithm.</p>
</dd>
</dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm.algorithm_type">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">algorithm_type</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm.algorithm_type" title="Link to this definition"></a></dt>
<dd><p>The type of algorithm.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm.as_dict">
<em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Any</span><span class="p"><span class="pre">]</span></span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L58-L60"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm.as_dict" title="Link to this definition"></a></dt>
<dd><p>A JSON-serializable dict representation of the algorithm.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AllCoordinationGeometries</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutations_safe_override</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">only_symbols</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L849-L1216"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">dict</span></code></p>
<p>Store all the reference “coordination geometries” (list with instances
of the CoordinationGeometry classes).</p>
<p>Initialize the list of Coordination Geometries.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>permutations_safe_override</strong> – Whether to use safe permutations.</p></li>
<li><p><strong>only_symbols</strong> – Whether to restrict the list of environments to be identified.</p></li>
</ul>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometries">
<span class="sig-name descname"><span class="pre">get_geometries</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">returned</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'cg'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L948-L969"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometries" title="Link to this definition"></a></dt>
<dd><p>Get a list of coordination geometries with the given coordination number.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>coordination</strong> – The coordination number of which the list of coordination geometries are returned.</p></li>
<li><p><strong>returned</strong> – Type of objects in the list.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_IUCr_symbol">
<span class="sig-name descname"><span class="pre">get_geometry_from_IUCr_symbol</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">IUCr_symbol</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry" title="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry"><span class="pre">CoordinationGeometry</span></a></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L1086-L1095"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_IUCr_symbol" title="Link to this definition"></a></dt>
<dd><p>Get the coordination geometry of the given IUCr symbol.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>IUCr_symbol</strong> – The IUCr symbol of the coordination geometry.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_IUPAC_symbol">
<span class="sig-name descname"><span class="pre">get_geometry_from_IUPAC_symbol</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">IUPAC_symbol</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry" title="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry"><span class="pre">CoordinationGeometry</span></a></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L1075-L1084"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_IUPAC_symbol" title="Link to this definition"></a></dt>
<dd><p>Get the coordination geometry of the given IUPAC symbol.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>IUPAC_symbol</strong> – The IUPAC symbol of the coordination geometry.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_mp_symbol">
<span class="sig-name descname"><span class="pre">get_geometry_from_mp_symbol</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mp_symbol</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry" title="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry"><span class="pre">CoordinationGeometry</span></a></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L1097-L1106"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_mp_symbol" title="Link to this definition"></a></dt>
<dd><p>Get the coordination geometry of the given mp_symbol.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>mp_symbol</strong> – The mp_symbol of the coordination geometry.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_name">
<span class="sig-name descname"><span class="pre">get_geometry_from_name</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry" title="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry"><span class="pre">CoordinationGeometry</span></a></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L1064-L1073"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_geometry_from_name" title="Link to this definition"></a></dt>
<dd><p>Get the coordination geometry of the given name.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>name</strong> – The name of the coordination geometry.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_implemented_geometries">
<span class="sig-name descname"><span class="pre">get_implemented_geometries</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">returned</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'cg'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">include_deactivated</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L1009-L1037"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_implemented_geometries" title="Link to this definition"></a></dt>
<dd><p>Get a list of the implemented coordination geometries with the given coordination number.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>coordination</strong> – The coordination number of which the list of implemented coordination geometries
are returned.</p></li>
<li><p><strong>returned</strong> – Type of objects in the list.</p></li>
<li><p><strong>include_deactivated</strong> – Whether to include CoordinationGeometry that are deactivated.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_not_implemented_geometries">
<span class="sig-name descname"><span class="pre">get_not_implemented_geometries</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">returned</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'mp_symbol'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L1039-L1062"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_not_implemented_geometries" title="Link to this definition"></a></dt>
<dd><p>Get a list of the implemented coordination geometries with the given coordination number.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>coordination</strong> – The coordination number of which the list of implemented coordination geometries
are returned.</p></li>
<li><p><strong>returned</strong> – Type of objects in the list.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_symbol_cn_mapping">
<span class="sig-name descname"><span class="pre">get_symbol_cn_mapping</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L990-L1007"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_symbol_cn_mapping" title="Link to this definition"></a></dt>
<dd><p>Get a dictionary mapping the symbol of a CoordinationGeometry to its coordination.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>coordination</strong> – Whether to restrict the dictionary to a given coordination.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>map of symbol of a CoordinationGeometry to its coordination.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>dict</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_symbol_name_mapping">
<span class="sig-name descname"><span class="pre">get_symbol_name_mapping</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L971-L988"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.get_symbol_name_mapping" title="Link to this definition"></a></dt>
<dd><p>Get a dictionary mapping the symbol of a CoordinationGeometry to its name.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>coordination</strong> – Whether to restrict the dictionary to a given coordination.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>map symbol of a CoordinationGeometry to its name.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>dict</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.is_a_valid_coordination_geometry">
<span class="sig-name descname"><span class="pre">is_a_valid_coordination_geometry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mp_symbol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">IUPAC_symbol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">IUCr_symbol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">bool</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L1108-L1154"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.is_a_valid_coordination_geometry" title="Link to this definition"></a></dt>
<dd><p>Checks whether a given coordination geometry is valid (exists) and whether the parameters are coherent with
each other.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>mp_symbol</strong> – The mp_symbol of the coordination geometry.</p></li>
<li><p><strong>IUPAC_symbol</strong> – The IUPAC_symbol of the coordination geometry.</p></li>
<li><p><strong>IUCr_symbol</strong> – The IUCr_symbol of the coordination geometry.</p></li>
<li><p><strong>name</strong> – The name of the coordination geometry.</p></li>
<li><p><strong>cn</strong> – The coordination of the coordination geometry.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.pretty_print">
<span class="sig-name descname"><span class="pre">pretty_print</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'implemented_geometries'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">maxcn</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L1156-L1216"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AllCoordinationGeometries.pretty_print" title="Link to this definition"></a></dt>
<dd><p>Get a string with a list of the Coordination Geometries.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>type</strong> – Type of string to be returned (all_geometries, all_geometries_latex_images, all_geometries_latex,
implemented_geometries).</p></li>
<li><p><strong>maxcn</strong> – Maximum coordination.</p></li>
<li><p><strong>additional_info</strong> – Whether to add some additional info for each coordination geometry.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>description of the list of coordination geometries.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>str</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">CoordinationGeometry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mp_symbol</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">alternative_names</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">IUPAC_symbol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">IUCr_symbol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coordination</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">central_site</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">solid_angles</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">permutations_safe_override</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">deactivate</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">faces</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edges</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">algorithms</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">equivalent_indices</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">neighbors_sets_hints</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L336-L846"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Store the ideal representation of a chemical environment or “coordination geometry”.</p>
<p>Initialize one “coordination geometry” according to [Pure Appl. Chem., Vol. 79, No. 10, pp. 1779–1799, 2007]
and [Acta Cryst. A, Vol. 46, No. 1, pp. 1–11, 1990].</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>mp_symbol</strong> – Symbol used internally for the coordination geometry.</p></li>
<li><p><strong>name</strong> – Name of the coordination geometry.</p></li>
<li><p><strong>alternative_names</strong> – Alternative names for this coordination geometry.</p></li>
<li><p><strong>IUPAC_symbol</strong> – The IUPAC symbol of this coordination geometry.</p></li>
<li><p><strong>IUCr_symbol</strong> – The IUCr symbol of this coordination geometry.</p></li>
<li><p><strong>coordination</strong> – The coordination number of this coordination geometry (number of neighboring atoms).</p></li>
<li><p><strong>central_site</strong> – The coordinates of the central site of this coordination geometry.</p></li>
<li><p><strong>points</strong> – The list of the coordinates of all the points of this coordination geometry.</p></li>
<li><p><strong>solid_angles</strong> – The list of solid angles for each neighbor in this coordination geometry.</p></li>
<li><p><strong>permutations_safe_override</strong> – Computes all the permutations if set to True (overrides the plane separation
algorithms or any other algorithm, for testing purposes)</p></li>
<li><p><strong>deactivate</strong> – Whether to deactivate this coordination geometry</p></li>
<li><p><strong>faces</strong> – List of the faces with their vertices given in a clockwise or anticlockwise order, for drawing
purposes.</p></li>
<li><p><strong>edges</strong> – List of edges, for drawing purposes.</p></li>
<li><p><strong>algorithms</strong> – Algorithms used to identify this coordination geometry.</p></li>
<li><p><strong>equivalent_indices</strong> – The equivalent sets of indices in this coordination geometry (can be used to skip
equivalent permutations that have already been performed).</p></li>
<li><p><strong>neighbors_sets_hints</strong> – Neighbors sets hints for this coordination geometry.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.CSM_SKIP_SEPARATION_PLANE_ALGO">
<span class="sig-name descname"><span class="pre">CSM_SKIP_SEPARATION_PLANE_ALGO</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">10.0</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.CSM_SKIP_SEPARATION_PLANE_ALGO" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUCr_symbol">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">IUCr_symbol</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUCr_symbol" title="Link to this definition"></a></dt>
<dd><p>The IUCr symbol of this coordination geometry.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUCr_symbol_str">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">IUCr_symbol_str</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUCr_symbol_str" title="Link to this definition"></a></dt>
<dd><p>A string representation of the IUCr symbol of this coordination geometry.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUPAC_symbol">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">IUPAC_symbol</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUPAC_symbol" title="Link to this definition"></a></dt>
<dd><p>The IUPAC symbol of this coordination geometry.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUPAC_symbol_str">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">IUPAC_symbol_str</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.IUPAC_symbol_str" title="Link to this definition"></a></dt>
<dd><p>A string representation of the IUPAC symbol of this coordination geometry.</p>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">NeighborsSetsHints</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">hints_type</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">options</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L343-L483"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Class used to describe neighbors sets hints.</p>
<p>This allows to possibly get a lower coordination from a capped-like model polyhedron.</p>
<p>Constructor for this NeighborsSetsHints.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>hints_type</strong> – type of hint (single, double or triple cap)</p></li>
<li><p><strong>options</strong> – options for the “hinting”, e.g. the maximum csm value beyond which no additional
neighbors set could be found from a “cap hint”.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.ALLOWED_HINTS_TYPES">
<span class="sig-name descname"><span class="pre">ALLOWED_HINTS_TYPES</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">('single_cap',</span> <span class="pre">'double_cap',</span> <span class="pre">'triple_cap')</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.ALLOWED_HINTS_TYPES" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L476-L478"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.as_dict" title="Link to this definition"></a></dt>
<dd><p>A JSON-serializable dict representation of this NeighborsSetsHints.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.double_cap_hints">
<span class="sig-name descname"><span class="pre">double_cap_hints</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">hints_info</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L398-L426"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.double_cap_hints" title="Link to this definition"></a></dt>
<dd><p>Return hints for an additional neighbors set, i.e. the voronoi indices that
constitute this new neighbors set, in case of a “Double cap” hint.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>hints_info</strong> – Info needed to build new “hinted” neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Voronoi indices of the new “hinted” neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>list[int]</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L480-L483"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstruct the NeighborsSetsHints from a JSON-serializable dict.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.hints">
<span class="sig-name descname"><span class="pre">hints</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">hints_info</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L365-L377"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.hints" title="Link to this definition"></a></dt>
<dd><p>Return hints for an additional neighbors set, i.e. the voronoi indices that
constitute this new neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>hints_info</strong> – Info needed to build new “hinted” neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Voronoi indices of the new “hinted” neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>list[int]</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.single_cap_hints">
<span class="sig-name descname"><span class="pre">single_cap_hints</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">hints_info</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L379-L396"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.single_cap_hints" title="Link to this definition"></a></dt>
<dd><p>Return hints for an additional neighbors set, i.e. the voronoi indices that
constitute this new neighbors set, in case of a “Single cap” hint.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>hints_info</strong> – Info needed to build new “hinted” neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Voronoi indices of the new “hinted” neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>list[int]</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.triple_cap_hints">
<span class="sig-name descname"><span class="pre">triple_cap_hints</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">hints_info</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L428-L474"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.NeighborsSetsHints.triple_cap_hints" title="Link to this definition"></a></dt>
<dd><p>Return hints for an additional neighbors set, i.e. the voronoi indices that
constitute this new neighbors set, in case of a “Triple cap” hint.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>hints_info</strong> – Info needed to build new “hinted” neighbors set.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Voronoi indices of the new “hinted” neighbors set.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>list[int]</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.algorithms">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">algorithms</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.algorithms" title="Link to this definition"></a></dt>
<dd><p>The list of algorithms that are used to identify this coordination geometry.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L552-L574"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.as_dict" title="Link to this definition"></a></dt>
<dd><p>A JSON-serializable dict representation of this CoordinationGeometry.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.ce_symbol">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">ce_symbol</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.ce_symbol" title="Link to this definition"></a></dt>
<dd><p>The symbol of this coordination geometry. Same as the MP symbol.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.coordination_number">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">coordination_number</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.coordination_number" title="Link to this definition"></a></dt>
<dd><p>The coordination number of this coordination geometry.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.distfactor_max">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">distfactor_max</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.distfactor_max" title="Link to this definition"></a></dt>
<dd><p>The maximum distfactor for the perfect CoordinationGeometry (usually 1.0 for symmetric polyhedrons).</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.edges">
<span class="sig-name descname"><span class="pre">edges</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sites</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">input</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'sites'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L779-L796"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.edges" title="Link to this definition"></a></dt>
<dd><p>Get the list of edges of this coordination geometry. Each edge is given as a
list of its end vertices coordinates.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.faces">
<span class="sig-name descname"><span class="pre">faces</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sites</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L772-L777"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.faces" title="Link to this definition"></a></dt>
<dd><p>Get the list of faces of this coordination geometry. Each face is given as a
list of its vertices coordinates.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L576-L615"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the CoordinationGeometry from its JSON-serializable dict representation.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – a JSON-serializable dict representation of a CoordinationGeometry.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>CoordinationGeometry</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_central_site">
<span class="sig-name descname"><span class="pre">get_central_site</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L768-L770"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_central_site" title="Link to this definition"></a></dt>
<dd><p>Get the central site of this coordination geometry.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_coordination_number">
<span class="sig-name descname"><span class="pre">get_coordination_number</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">int</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L705-L707"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_coordination_number" title="Link to this definition"></a></dt>
<dd><p>Get the coordination number of this coordination geometry.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_name">
<span class="sig-name descname"><span class="pre">get_name</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">str</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L713-L715"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_name" title="Link to this definition"></a></dt>
<dd><p>Get the name of this coordination geometry.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_pmeshes">
<span class="sig-name descname"><span class="pre">get_pmeshes</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sites</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L806-L846"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.get_pmeshes" title="Link to this definition"></a></dt>
<dd><p>Get the pmesh strings used for jmol to show this geometry.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.is_implemented">
<span class="sig-name descname"><span class="pre">is_implemented</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">bool</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L709-L711"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.is_implemented" title="Link to this definition"></a></dt>
<dd><p>Get True if this coordination geometry is implemented.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.mp_symbol">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">mp_symbol</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.mp_symbol" title="Link to this definition"></a></dt>
<dd><p>The MP symbol of this coordination geometry.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.number_of_permutations">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">number_of_permutations</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.number_of_permutations" title="Link to this definition"></a></dt>
<dd><p>The number of permutations of this coordination geometry.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.pauling_stability_ratio">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">pauling_stability_ratio</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.pauling_stability_ratio" title="Link to this definition"></a></dt>
<dd><p>The theoretical Pauling stability ratio (rC/rA) for this environment.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.ref_permutation">
<span class="sig-name descname"><span class="pre">ref_permutation</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutation</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L746-L761"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.ref_permutation" title="Link to this definition"></a></dt>
<dd><p>Get the reference permutation for a set of equivalent permutations.</p>
<p>Can be useful to skip permutations that have already been performed.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>permutation</strong> – Current permutation</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Reference permutation of the perfect CoordinationGeometry.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>Permutation</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.solid_angles">
<span class="sig-name descname"><span class="pre">solid_angles</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L798-L804"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.CoordinationGeometry.solid_angles" title="Link to this definition"></a></dt>
<dd><p>Get the list of “perfect” solid angles Each edge is given as a
list of its end vertices coordinates.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">ExplicitPermutationsAlgorithm</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutations</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L72-L105"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm" title="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm"><code class="xref py py-class docutils literal notranslate"><span class="pre">AbstractChemenvAlgorithm</span></code></a></p>
<p>Algorithm doing the explicit permutations for the calculation of
the Continuous Symmetry Measure.</p>
<p>Initialize a separation plane for a given perfect coordination geometry.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>permutations</strong> – Permutations used for this algorithm.</p>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L94-L100"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm.as_dict" title="Link to this definition"></a></dt>
<dd><p>JSON-serializable representation of this ExplicitPermutationsAlgorithm.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L102-L105"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstruct ExplicitPermutationsAlgorithm from its JSON-serializable dict representation.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm.permutations">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">permutations</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.ExplicitPermutationsAlgorithm.permutations" title="Link to this definition"></a></dt>
<dd><p>Permutations to be performed for this algorithm.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">SeparationPlane</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">plane_points</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mirror_plane</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ordered_plane</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">point_groups</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ordered_point_groups</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">explicit_permutations</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">minimum_number_of_points</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">explicit_optimized_permutations</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">multiplicity</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">other_plane_points</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L108-L333"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane" title="Link to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm" title="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.AbstractChemenvAlgorithm"><code class="xref py py-class docutils literal notranslate"><span class="pre">AbstractChemenvAlgorithm</span></code></a></p>
<p>Algorithm using separation planes for the calculation of
the Continuous Symmetry Measure.</p>
<p>Initialize a separation plane for a given perfect coordination geometry.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>plane_points</strong> – Indices of the points that are in the plane in the perfect structure (and should be
found in the defective one as well).</p></li>
<li><p><strong>mirror_plane</strong> – True if the separation plane is a mirror plane, in which case there is a correspondence
of the points in each point_group (can reduce the number of permutations).</p></li>
<li><p><strong>ordered_plane</strong> – True if the order of the points in the plane can be taken into account to reduce the
number of permutations.</p></li>
<li><p><strong>point_groups</strong> – Indices of the points in the two groups of points separated by the plane.</p></li>
<li><p><strong>ordered_point_groups</strong> – Whether the order of the points in each group of points can be taken into account to
reduce the number of permutations.</p></li>
<li><p><strong>explicit_permutations</strong> – Explicit permutations to be performed in this separation plane algorithm.</p></li>
<li><p><strong>minimum_number_of_points</strong> – Minimum number of points needed to initialize a separation plane
for this algorithm.</p></li>
<li><p><strong>explicit_optimized_permutations</strong> – Optimized set of explicit permutations to be performed in this
separation plane algorithm.</p></li>
<li><p><strong>multiplicity</strong> – Number of such planes in the model geometry.</p></li>
<li><p><strong>other_plane_points</strong> – Indices of the points that are in the plane in the perfect structure for the other
planes. The multiplicity should be equal to the length of this list + 1 (“main” separation plane +
the other ones).</p></li>
</ul>
</dd>
</dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.argsorted_ref_separation_perm">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">argsorted_ref_separation_perm</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.argsorted_ref_separation_perm" title="Link to this definition"></a></dt>
<dd><p>“Arg sorted” ordered indices of the separation plane.</p>
<p>This is used in the identification of the final permutation to be used.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L275-L301"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.as_dict" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>JSON-serializable dict representation of this SeparationPlane algorithm.</p>
</dd>
<dt class="field-even">Return type<span class="colon">:</span></dt>
<dd class="field-even"><p>dict</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L303-L326"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the SeparationPlane algorithm from its JSON-serializable dict representation.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – a JSON-serializable dict representation of an SeparationPlane algorithm.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>algorithm object</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane" title="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane">SeparationPlane</a></p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.permutations">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">permutations</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.permutations" title="Link to this definition"></a></dt>
<dd><p>List of permutations to be performed for this separation plane algorithm.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.ref_separation_perm">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">ref_separation_perm</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.ref_separation_perm" title="Link to this definition"></a></dt>
<dd><p>Ordered indices of the separation plane.</p>
<p class="rubric">Examples</p>
<p>For a separation plane of type 2|4|3, with plane_points indices [0, 3, 5, 8] and
point_groups indices [1, 4] and [2, 7, 6], the list of ordered indices is :
[0, 3, 5, 8, 1, 4, 2, 7, 6].</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.safe_separation_permutations">
<span class="sig-name descname"><span class="pre">safe_separation_permutations</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ordered_plane</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ordered_point_groups</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">add_opposite</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometries.py#L207-L273"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.SeparationPlane.safe_separation_permutations" title="Link to this definition"></a></dt>
<dd><p>Simple and safe permutations for this separation plane.</p>
<p>This is not meant to be used in production. Default configuration for ChemEnv does not use this method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>ordered_plane</strong> – Whether the order of the points in the plane can be used to reduce the
number of permutations.</p></li>
<li><p><strong>ordered_point_groups</strong> – Whether the order of the points in each point group can be used to reduce the
number of permutations.</p></li>
<li><p><strong>add_opposite</strong> – Whether to add the permutations from the second group before the first group as well.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>safe permutations.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>list[int]</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
</section>
<section id="module-pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder">
<span id="pymatgen-analysis-chemenv-coordination-environments-coordination-geometry-finder-module"></span><h2>pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder module<a class="headerlink" href="#module-pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder" title="Link to this heading"></a></h2>
<p>This module contains the main object used to identify the coordination environments in a given structure.
If you use this module, please cite:
David Waroquiers, Xavier Gonze, Gian-Marco Rignanese, Cathrin Welker-Nieuwoudt, Frank Rosowski,
Michael Goebel, Stephan Schenk, Peter Degelmann, Rute Andre, Robert Glaum, and Geoffroy Hautier,
“Statistical analysis of coordination environments in oxides”,
Chem. Mater., 2017, 29 (19), pp 8346-8360,
DOI: 10.1021/acs.chemmater.7b02766
D. Waroquiers, J. George, M. Horton, S. Schenk, K. A. Persson, G.-M. Rignanese, X. Gonze, G. Hautier
“ChemEnv: a fast and robust coordination environment identification tool”,
Acta Cryst. B 2020, 76, pp 683-695,
DOI: 10.1107/S2052520620007994.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AbstractGeometry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">central_site</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bare_coords</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">centering_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'standard'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">include_central_site_in_centroid</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L77-L287"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Describe a geometry (perfect or distorted).</p>
<p>Constructor for the abstract geometry.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>central_site</strong> – Coordinates of the central site</p></li>
<li><p><strong>bare_coords</strong> – Coordinates of the neighbors of the central site</p></li>
<li><p><strong>centering_type</strong> – How to center the abstract geometry</p></li>
<li><p><strong>include_central_site_in_centroid</strong> – When the centering is on the centroid,
the central site is included if this parameter is set to True.</p></li>
</ul>
</dd>
<dt class="field-even">Raises<span class="colon">:</span></dt>
<dd class="field-even"><p><strong>ValueError if the parameters are not consistent.</strong> – </p>
</dd>
</dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.cn">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">cn</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.cn" title="Link to this definition"></a></dt>
<dd><p>Coordination number.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.coordination_number">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">coordination_number</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.coordination_number" title="Link to this definition"></a></dt>
<dd><p>Coordination number.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.from_cg">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_cg</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">cg</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">centering_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'standard'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">include_central_site_in_centroid</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L196-L211"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.from_cg" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>cg</strong></p></li>
<li><p><strong>centering_type</strong></p></li>
<li><p><strong>include_central_site_in_centroid</strong></p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wcs_csc">
<span class="sig-name descname"><span class="pre">points_wcs_csc</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L213-L222"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wcs_csc" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>permutation</strong></p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wcs_ctwcc">
<span class="sig-name descname"><span class="pre">points_wcs_ctwcc</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L233-L245"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wcs_ctwcc" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>permutation</strong></p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wcs_ctwocc">
<span class="sig-name descname"><span class="pre">points_wcs_ctwocc</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L256-L268"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wcs_ctwocc" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>permutation</strong></p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wocs_csc">
<span class="sig-name descname"><span class="pre">points_wocs_csc</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L224-L231"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wocs_csc" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>permutation</strong></p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wocs_ctwcc">
<span class="sig-name descname"><span class="pre">points_wocs_ctwcc</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L247-L254"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wocs_ctwcc" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>permutation</strong></p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wocs_ctwocc">
<span class="sig-name descname"><span class="pre">points_wocs_ctwocc</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L270-L277"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.AbstractGeometry.points_wocs_ctwocc" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>permutation</strong></p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">LocalGeometryFinder</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutations_safe_override</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">plane_ordering_override</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">plane_safe_permutations</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">only_symbols</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L368-L2087"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Main class used to find the local environments in a structure.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>permutations_safe_override</strong> – If set to True, all permutations are tested (very time-consuming for large</p></li>
<li><p><strong>numbers!</strong><strong>)</strong> (<em>coordination</em>)</p></li>
<li><p><strong>plane_ordering_override</strong> – If set to False, the ordering of the points in the plane is disabled</p></li>
<li><p><strong>plane_safe_permutations</strong> – Whether to use safe permutations.</p></li>
<li><p><strong>only_symbols</strong> – Whether to restrict the list of environments to be identified.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.BVA_DISTANCE_SCALE_FACTORS">
<span class="sig-name descname"><span class="pre">BVA_DISTANCE_SCALE_FACTORS</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'GGA_relaxed':</span> <span class="pre">1.015,</span> <span class="pre">'LDA_relaxed':</span> <span class="pre">0.995,</span> <span class="pre">'experimental':</span> <span class="pre">1.0}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.BVA_DISTANCE_SCALE_FACTORS" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.DEFAULT_BVA_DISTANCE_SCALE_FACTOR">
<span class="sig-name descname"><span class="pre">DEFAULT_BVA_DISTANCE_SCALE_FACTOR</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">1.0</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.DEFAULT_BVA_DISTANCE_SCALE_FACTOR" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.DEFAULT_SPG_ANALYZER_OPTIONS">
<span class="sig-name descname"><span class="pre">DEFAULT_SPG_ANALYZER_OPTIONS</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'angle_tolerance':</span> <span class="pre">5,</span> <span class="pre">'symprec':</span> <span class="pre">0.001}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.DEFAULT_SPG_ANALYZER_OPTIONS" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.DEFAULT_STRATEGY">
<span class="sig-name descname"><span class="pre">DEFAULT_STRATEGY</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre"><pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy</span> <span class="pre">object></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.DEFAULT_STRATEGY" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.PRESETS">
<span class="sig-name descname"><span class="pre">PRESETS</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">ClassVar</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">{'DEFAULT':</span> <span class="pre">{'maximum_distance_factor':</span> <span class="pre">2.0,</span> <span class="pre">'minimum_angle_factor':</span> <span class="pre">0.05,</span> <span class="pre">'optimization':</span> <span class="pre">2,</span> <span class="pre">'voronoi_normalized_angle_tolerance':</span> <span class="pre">0.03,</span> <span class="pre">'voronoi_normalized_distance_tolerance':</span> <span class="pre">0.05}}</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.PRESETS" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.STRUCTURE_REFINEMENT_NONE">
<span class="sig-name descname"><span class="pre">STRUCTURE_REFINEMENT_NONE</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'none'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.STRUCTURE_REFINEMENT_NONE" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.STRUCTURE_REFINEMENT_REFINED">
<span class="sig-name descname"><span class="pre">STRUCTURE_REFINEMENT_REFINED</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'refined'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.STRUCTURE_REFINEMENT_REFINED" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.STRUCTURE_REFINEMENT_SYMMETRIZED">
<span class="sig-name descname"><span class="pre">STRUCTURE_REFINEMENT_SYMMETRIZED</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'symmetrized'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.STRUCTURE_REFINEMENT_SYMMETRIZED" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.compute_coordination_environments">
<span class="sig-name descname"><span class="pre">compute_coordination_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">indices=None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">only_cations=True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">strategy=<pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.MultiWeightsChemenvStrategy</span> <span class="pre">object></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">valences='bond-valence-analysis'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">initial_structure_environments=None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L520-L562"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.compute_coordination_environments" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>structure</strong></p></li>
<li><p><strong>indices</strong></p></li>
<li><p><strong>only_cations</strong></p></li>
<li><p><strong>strategy</strong></p></li>
<li><p><strong>valences</strong></p></li>
<li><p><strong>initial_structure_environments</strong></p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.compute_structure_environments">
<span class="sig-name descname"><span class="pre">compute_structure_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">excluded_atoms</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">only_atoms</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">only_cations</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">only_indices</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">maximum_distance_factor</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">2.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">minimum_angle_factor</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.05</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_cn</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">min_cn</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">only_symbols</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">valences</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'undefined'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_conditions</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timelimit</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">initial_structure_environments</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">get_from_hints</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">voronoi_normalized_distance_tolerance</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.05</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">voronoi_normalized_angle_tolerance</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.03</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">voronoi_distance_cutoff</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">recompute</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">2</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L564-L886"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.compute_structure_environments" title="Link to this definition"></a></dt>
<dd><p>Compute and returns the StructureEnvironments object containing all the information
about the coordination environments in the structure.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>excluded_atoms</strong> – Atoms for which the coordination geometries does not have to be identified</p></li>
<li><p><strong>only_atoms</strong> – If not set to None, atoms for which the coordination geometries have to be identified</p></li>
<li><p><strong>only_cations</strong> – If set to True, will only compute environments for cations</p></li>
<li><p><strong>only_indices</strong> – If not set to None, will only compute environments the atoms of the given indices</p></li>
<li><p><strong>maximum_distance_factor</strong> – If not set to None, neighbors beyond
maximum_distance_factor*closest_neighbor_distance are not considered</p></li>
<li><p><strong>minimum_angle_factor</strong> – If not set to None, neighbors for which the angle is lower than
minimum_angle_factor*largest_angle_neighbor are not considered</p></li>
<li><p><strong>max_cn</strong> – maximum coordination number to be considered</p></li>
<li><p><strong>min_cn</strong> – minimum coordination number to be considered</p></li>
<li><p><strong>only_symbols</strong> – if not set to None, consider only coordination environments with the given symbols</p></li>
<li><p><strong>valences</strong> – valences of the atoms</p></li>
<li><p><strong>additional_conditions</strong> – additional conditions to be considered in the bonds (example : only bonds
between cation and anion</p></li>
<li><p><strong>info</strong> – additional info about the calculation</p></li>
<li><p><strong>timelimit</strong> – time limit (in secs) after which the calculation of the StructureEnvironments object stops</p></li>
<li><p><strong>initial_structure_environments</strong> – initial StructureEnvironments object (most probably incomplete)</p></li>
<li><p><strong>get_from_hints</strong> – whether to add neighbors sets from “hints” (e.g. capped environment => test the
neighbors without the cap)</p></li>
<li><p><strong>voronoi_normalized_distance_tolerance</strong> – tolerance for the normalized distance used to distinguish
neighbors sets</p></li>
<li><p><strong>voronoi_normalized_angle_tolerance</strong> – tolerance for the normalized angle used to distinguish
neighbors sets</p></li>
<li><p><strong>voronoi_distance_cutoff</strong> – determines distance of considered neighbors. Especially important to increase it
for molecules in a box.</p></li>
<li><p><strong>recompute</strong> – whether to recompute the sites already computed (when initial_structure_environments
is not None)</p></li>
<li><p><strong>optimization</strong> – optimization algorithm</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p><dl class="simple">
<dt>contains all the information about the coordination</dt><dd><p>environments in the structure.</p>
</dd>
</dl>
</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p><a class="reference internal" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments" title="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments">StructureEnvironments</a></p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures">
<span class="sig-name descname"><span class="pre">coordination_geometry_symmetry_measures</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination_geometry</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tested_permutations</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points_perfect</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1344-L1395"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures" title="Link to this definition"></a></dt>
<dd><p>Get the symmetry measures of a given coordination_geometry for a set of
permutations depending on the permutation setup. Depending on the parameters of
the LocalGeometryFinder and on the coordination geometry, different methods are called.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>coordination_geometry</strong> – Coordination geometry for which the symmetry measures are looked for</p>
</dd>
<dt class="field-even">Raises<span class="colon">:</span></dt>
<dd class="field-even"><p><strong>NotImplementedError</strong> – if the permutation_setup does not exist</p>
</dd>
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>the symmetry measures of a given coordination_geometry for a set of permutations</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_fallback_random">
<span class="sig-name descname"><span class="pre">coordination_geometry_symmetry_measures_fallback_random</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination_geometry</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">n_random</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">10</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points_perfect</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L2041-L2087"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_fallback_random" title="Link to this definition"></a></dt>
<dd><p>Get the symmetry measures for a random set of permutations for the coordination geometry
“coordination_geometry”. Fallback implementation for the plane separation algorithms measures
of each permutation.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>coordination_geometry</strong> – The coordination geometry to be investigated</p></li>
<li><p><strong>n_random</strong> – Number of random permutations to be tested</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The symmetry measures for the given coordination geometry for each permutation investigated.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_separation_plane">
<span class="sig-name descname"><span class="pre">coordination_geometry_symmetry_measures_separation_plane</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination_geometry</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">separation_plane_algo</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">testing</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tested_permutations</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points_perfect</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1512-L1613"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_separation_plane" title="Link to this definition"></a></dt>
<dd><p>Get the symmetry measures of the given coordination geometry “coordination_geometry” using separation
facets to reduce the complexity of the system. Caller to the refined 2POINTS, 3POINTS and other …</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>coordination_geometry</strong> – The coordination geometry to be investigated</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The symmetry measures for the given coordination geometry for each plane and permutation investigated.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_separation_plane_optim">
<span class="sig-name descname"><span class="pre">coordination_geometry_symmetry_measures_separation_plane_optim</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination_geometry</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">separation_plane_algo</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points_perfect</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nb_set</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1615-L1775"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_separation_plane_optim" title="Link to this definition"></a></dt>
<dd><p>Get the symmetry measures of the given coordination geometry “coordination_geometry” using separation
facets to reduce the complexity of the system. Caller to the refined 2POINTS, 3POINTS and other …</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>coordination_geometry</strong> – The coordination geometry to be investigated.</p></li>
<li><p><strong>separation_plane_algo</strong> – Separation Plane algorithm used.</p></li>
<li><p><strong>points_perfect</strong> – Points corresponding to the perfect geometry.</p></li>
<li><p><strong>nb_set</strong> – Neighbor set for this set of points. (used to store already computed separation planes)</p></li>
<li><p><strong>optimization</strong> – Optimization level (1 or 2).</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p><dl class="simple">
<dt>Continuous symmetry measures for the given coordination geometry for each plane and permutation</dt><dd><p>investigated, corresponding permutations, corresponding algorithms,
corresponding mappings from local to perfect environment and corresponding mappings
from perfect to local environment.</p>
</dd>
</dl>
</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>tuple</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_sepplane_optim">
<span class="sig-name descname"><span class="pre">coordination_geometry_symmetry_measures_sepplane_optim</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination_geometry</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points_perfect</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nb_set</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1397-L1434"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_sepplane_optim" title="Link to this definition"></a></dt>
<dd><p>Get the symmetry measures of a given coordination_geometry for a set of
permutations depending on the permutation setup. Depending on the parameters of
the LocalGeometryFinder and on the coordination geometry, different methods are called.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>coordination_geometry</strong> – Coordination geometry for which the symmetry measures are looked for</p>
</dd>
<dt class="field-even">Raises<span class="colon">:</span></dt>
<dd class="field-even"><p><strong>NotImplementedError</strong> – if the permutation_setup does not exist</p>
</dd>
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>the symmetry measures of a given coordination_geometry for a set of permutations</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_standard">
<span class="sig-name descname"><span class="pre">coordination_geometry_symmetry_measures_standard</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination_geometry</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">algo</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points_perfect</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1436-L1510"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.coordination_geometry_symmetry_measures_standard" title="Link to this definition"></a></dt>
<dd><p>Get the symmetry measures for a set of permutations (whose setup depends on the coordination geometry)
for the coordination geometry “coordination_geometry”. Standard implementation looking for the symmetry
measures of each permutation.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>coordination_geometry</strong> – The coordination geometry to be investigated</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The symmetry measures for the given coordination geometry for each permutation investigated.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.get_coordination_symmetry_measures">
<span class="sig-name descname"><span class="pre">get_coordination_symmetry_measures</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">only_minimum</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">all_csms</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1164-L1236"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.get_coordination_symmetry_measures" title="Link to this definition"></a></dt>
<dd><p>Get the continuous symmetry measures of the current local geometry in a dictionary.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>the continuous symmetry measures of the current local geometry in a dictionary.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.get_coordination_symmetry_measures_optim">
<span class="sig-name descname"><span class="pre">get_coordination_symmetry_measures_optim</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">only_minimum</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">all_csms</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nb_set</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1290-L1342"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.get_coordination_symmetry_measures_optim" title="Link to this definition"></a></dt>
<dd><p>Get the continuous symmetry measures of the current local geometry in a dictionary.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>the continuous symmetry measures of the current local geometry in a dictionary.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.get_structure">
<span class="sig-name descname"><span class="pre">get_structure</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L498-L506"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.get_structure" title="Link to this definition"></a></dt>
<dd><p>Get the pymatgen Structure that has been setup for the identification of geometries (the initial one
might have been refined/symmetrized using the SpaceGroupAnalyzer).</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>The pymatgen Structure that has been setup for the identification of geometries (the initial one</p>
</dd>
</dl>
<p>might have been refined/symmetrized using the SpaceGroupAnalyzer).</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.set_structure">
<span class="sig-name descname"><span class="pre">set_structure</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">lattice</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.html#pymatgen.core.lattice.Lattice" title="pymatgen.core.lattice.Lattice"><span class="pre">Lattice</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">species</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coords_are_cartesian</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L508-L518"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.set_structure" title="Link to this definition"></a></dt>
<dd><p>Set up the pymatgen structure for which the coordination geometries have to be identified starting from the
lattice, the species and the coordinates.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>lattice</strong> – The lattice of the structure</p></li>
<li><p><strong>species</strong> – The species on the sites</p></li>
<li><p><strong>coords</strong> – The coordinates of the sites</p></li>
<li><p><strong>coords_are_cartesian</strong> – If set to True, the coordinates are given in Cartesian coordinates.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_explicit_indices_local_geometry">
<span class="sig-name descname"><span class="pre">setup_explicit_indices_local_geometry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">explicit_indices</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1154-L1162"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_explicit_indices_local_geometry" title="Link to this definition"></a></dt>
<dd><p>Set up explicit indices for the local geometry, for testing purposes.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>explicit_indices</strong> – explicit indices for the neighbors (set of numbers</p>
</dd>
</dl>
<p>from 0 to CN-1 in a given order).</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_local_geometry">
<span class="sig-name descname"><span class="pre">setup_local_geometry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coords</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L955-L968"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_local_geometry" title="Link to this definition"></a></dt>
<dd><p>Set up the AbstractGeometry for the local geometry of site with index isite.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site for which the local geometry has to be set up</p></li>
<li><p><strong>coords</strong> – The coordinates of the (local) neighbors.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_ordered_indices_local_geometry">
<span class="sig-name descname"><span class="pre">setup_ordered_indices_local_geometry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1145-L1152"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_ordered_indices_local_geometry" title="Link to this definition"></a></dt>
<dd><p>Set up ordered indices for the local geometry, for testing purposes.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>coordination</strong> – coordination of the local geometry.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_parameter">
<span class="sig-name descname"><span class="pre">setup_parameter</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">parameter</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">value</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L459-L467"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_parameter" title="Link to this definition"></a></dt>
<dd><p>Setup of one specific parameter to the given value. The other parameters are unchanged. See setup_parameters
method for the list of possible parameters.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>parameter</strong> – Parameter to setup/update</p></li>
<li><p><strong>value</strong> – Value of the parameter.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_parameters">
<span class="sig-name descname"><span class="pre">setup_parameters</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">centering_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'standard'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">include_central_site_in_centroid</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bva_distance_scale_factor</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_refinement</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'refined'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">spg_analyzer_options</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L423-L457"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_parameters" title="Link to this definition"></a></dt>
<dd><p>Setup of the parameters for the coordination geometry finder. A reference point for the geometries has to be
chosen. This can be the centroid of the structure (including or excluding the atom for which the coordination
geometry is looked for) or the atom itself. In the ‘standard’ centering_type, the reference point is the central
atom for coordination numbers 1, 2, 3 and 4 and the centroid for coordination numbers > 4.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>centering_type</strong> – Type of the reference point (centering) ‘standard’, ‘centroid’ or ‘central_site’</p></li>
<li><p><strong>include_central_site_in_centroid</strong> – In case centering_type is ‘centroid’, the central site is included if
this value is set to True.</p></li>
<li><p><strong>bva_distance_scale_factor</strong> – Scaling factor for the bond valence analyzer (this might be different whether
the structure is an experimental one, an LDA or a GGA relaxed one, or any other relaxation scheme (where
under- or over-estimation of bond lengths is known).</p></li>
<li><p><strong>structure_refinement</strong> – Refinement of the structure. Can be “none”, “refined” or “symmetrized”.</p></li>
<li><p><strong>spg_analyzer_options</strong> – Options for the SpaceGroupAnalyzer (dictionary specifying “symprec”
and “angle_tolerance”. See pymatgen’s SpaceGroupAnalyzer for more information.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_random_indices_local_geometry">
<span class="sig-name descname"><span class="pre">setup_random_indices_local_geometry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1135-L1143"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_random_indices_local_geometry" title="Link to this definition"></a></dt>
<dd><p>Set up random indices for the local geometry, for testing purposes.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>coordination</strong> – coordination of the local geometry.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_random_structure">
<span class="sig-name descname"><span class="pre">setup_random_structure</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coordination</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L1116-L1133"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_random_structure" title="Link to this definition"></a></dt>
<dd><p>Set up a purely random structure with a given coordination.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>coordination</strong> – coordination number for the random structure.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_structure">
<span class="sig-name descname"><span class="pre">setup_structure</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L469-L496"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_structure" title="Link to this definition"></a></dt>
<dd><p>Set up the structure for which the coordination geometries have to be identified. The structure is analyzed
with the space group analyzer and a refined structure is used.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>structure</strong> – A pymatgen Structure.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_test_perfect_environment">
<span class="sig-name descname"><span class="pre">setup_test_perfect_environment</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">symbol</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">randomness</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_random_dist</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symbol_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'mp_symbol'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">indices</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'RANDOM'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">random_translation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'NONE'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">random_rotation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'NONE'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">random_scale</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'NONE'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L970-L1114"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.setup_test_perfect_environment" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>symbol</strong></p></li>
<li><p><strong>randomness</strong></p></li>
<li><p><strong>max_random_dist</strong></p></li>
<li><p><strong>symbol_type</strong></p></li>
<li><p><strong>indices</strong></p></li>
<li><p><strong>random_translation</strong></p></li>
<li><p><strong>random_rotation</strong></p></li>
<li><p><strong>random_scale</strong></p></li>
<li><p><strong>points</strong></p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.update_nb_set_environments">
<span class="sig-name descname"><span class="pre">update_nb_set_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">se</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">inb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">recompute</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L888-L953"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.LocalGeometryFinder.update_nb_set_environments" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>se</strong></p></li>
<li><p><strong>isite</strong></p></li>
<li><p><strong>cn</strong></p></li>
<li><p><strong>inb_set</strong></p></li>
<li><p><strong>nb_set</strong></p></li>
<li><p><strong>recompute</strong></p></li>
<li><p><strong>optimization</strong></p></li>
</ul>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.find_rotation">
<span class="sig-name descname"><span class="pre">find_rotation</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">points_distorted</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points_perfect</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L330-L345"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.find_rotation" title="Link to this definition"></a></dt>
<dd><p>This finds the rotation matrix that aligns the (distorted) set of points “points_distorted” with respect to the
(perfect) set of points “points_perfect” in a least-square sense.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>points_distorted</strong> – List of points describing a given (distorted) polyhedron for which the rotation that
aligns these points in a least-square sense to the set of perfect points “points_perfect”</p></li>
<li><p><strong>points_perfect</strong> – List of “perfect” points describing a given model polyhedron.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The rotation matrix.</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.find_scaling_factor">
<span class="sig-name descname"><span class="pre">find_scaling_factor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">points_distorted</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points_perfect</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rot</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L348-L365"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.find_scaling_factor" title="Link to this definition"></a></dt>
<dd><p>This finds the scaling factor between the (distorted) set of points “points_distorted” and the
(perfect) set of points “points_perfect” in a least-square sense.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>points_distorted</strong> – List of points describing a given (distorted) polyhedron for
which the scaling factor has to be obtained.</p></li>
<li><p><strong>points_perfect</strong> – List of “perfect” points describing a given model polyhedron.</p></li>
<li><p><strong>rot</strong> – The rotation matrix</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The scaling factor between the two structures and the rotated set of (distorted) points.</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.symmetry_measure">
<span class="sig-name descname"><span class="pre">symmetry_measure</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">points_distorted</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">points_perfect</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/coordination_geometry_finder.py#L290-L327"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.symmetry_measure" title="Link to this definition"></a></dt>
<dd><p>Computes the continuous symmetry measure of the (distorted) set of points “points_distorted” with respect to the
(perfect) set of points “points_perfect”.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>points_distorted</strong> – List of points describing a given (distorted) polyhedron for which the symmetry measure
has to be computed with respect to the model polyhedron described by the list of points
“points_perfect”.</p></li>
<li><p><strong>points_perfect</strong> – List of “perfect” points describing a given model polyhedron.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The continuous symmetry measure of the distorted polyhedron with respect to the perfect polyhedron.</p>
</dd>
</dl>
</dd></dl>
</section>
<section id="module-pymatgen.analysis.chemenv.coordination_environments.structure_environments">
<span id="pymatgen-analysis-chemenv-coordination-environments-structure-environments-module"></span><h2>pymatgen.analysis.chemenv.coordination_environments.structure_environments module<a class="headerlink" href="#module-pymatgen.analysis.chemenv.coordination_environments.structure_environments" title="Link to this heading"></a></h2>
<p>This module contains objects that are used to describe the environments in a structure. The most detailed object
(StructureEnvironments) contains a very thorough analysis of the environments of a given atom but is difficult to
used as such. The LightStructureEnvironments object is a lighter version that is obtained by applying a “strategy”
on the StructureEnvironments object. Basically, the LightStructureEnvironments provides the coordination environment(s)
and possibly some fraction corresponding to these.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">ChemicalEnvironments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">coord_geoms</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L2096-L2395"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">MSONable</span></code></p>
<p>Store all the information about the chemical environment of a given site for a given list of
coordinated neighbors (internally called “cn_map”).</p>
<p>Initialize the ChemicalEnvironments object containing all the information about the chemical
environment of a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>coord_geoms</strong> – coordination geometries to be added to the chemical environment.</p>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.add_coord_geom">
<span class="sig-name descname"><span class="pre">add_coord_geom</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mp_symbol</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">algo</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'UNKNOWN'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">permutation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">override</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local2perfect_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">perfect2local_map</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">detailed_voronoi_index</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">other_symmetry_measures</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rotation_matrix</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scaling_factor</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L2181-L2238"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.add_coord_geom" title="Link to this definition"></a></dt>
<dd><p>Adds a coordination geometry to the ChemicalEnvironments object.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>mp_symbol</strong> – Symbol of the coordination geometry added.</p></li>
<li><p><strong>symmetry_measure</strong> – Symmetry measure of the coordination geometry added.</p></li>
<li><p><strong>algo</strong> – Algorithm used for the search of the coordination geometry added.</p></li>
<li><p><strong>permutation</strong> – Permutation of the neighbors that leads to the csm stored.</p></li>
<li><p><strong>override</strong> – If set to True, the coordination geometry will override the existent one if present.</p></li>
<li><p><strong>local2perfect_map</strong> – Mapping of the local indices to the perfect indices.</p></li>
<li><p><strong>perfect2local_map</strong> – Mapping of the perfect indices to the local indices.</p></li>
<li><p><strong>detailed_voronoi_index</strong> – Index in the voronoi containing the neighbors set.</p></li>
<li><p><strong>other_symmetry_measures</strong> – Other symmetry measure of the coordination geometry added (with/without the
central atom, centered on the central atom or on the centroid with/without the central atom).</p></li>
<li><p><strong>rotation_matrix</strong> – Rotation matrix mapping the local geometry to the perfect geometry.</p></li>
<li><p><strong>scaling_factor</strong> – Scaling factor mapping the local geometry to the perfect geometry.</p></li>
</ul>
</dd>
<dt class="field-even">Raises<span class="colon">:</span></dt>
<dd class="field-even"><p><strong>ChemenvError if the coordination geometry is already added and override is set to False</strong> – </p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L2342-L2352"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.as_dict" title="Link to this definition"></a></dt>
<dd><p>Get a dictionary representation of the ChemicalEnvironments object.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>A dictionary representation of the ChemicalEnvironments object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L2354-L2395"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the ChemicalEnvironments object from a dict representation of the ChemicalEnvironments created
using the as_dict method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – dict representation of the ChemicalEnvironments object.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>ChemicalEnvironments object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.is_close_to">
<span class="sig-name descname"><span class="pre">is_close_to</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">other</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rtol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1e-08</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">bool</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L2268-L2301"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.is_close_to" title="Link to this definition"></a></dt>
<dd><p>Whether this ChemicalEnvironments object is close to another one.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>other</strong> – Another ChemicalEnvironments object.</p></li>
<li><p><strong>rtol</strong> – Relative tolerance for the comparison of Continuous Symmetry Measures.</p></li>
<li><p><strong>atol</strong> – Absolute tolerance for the comparison of Continuous Symmetry Measures.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>True if the two ChemicalEnvironments objects are close to each other.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>bool</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.minimum_geometries">
<span class="sig-name descname"><span class="pre">minimum_geometries</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">n</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_csm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L2152-L2179"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.minimum_geometries" title="Link to this definition"></a></dt>
<dd><p>Get a list of geometries with increasing continuous symmetry measure in this ChemicalEnvironments object.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>n</strong> – Number of geometries to be included in the list.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of geometries with increasing continuous symmetry measure in this ChemicalEnvironments object.</p>
</dd>
<dt class="field-odd">Raises<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>ValueError if no coordination geometry is found in this ChemicalEnvironments object.</strong> – </p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.minimum_geometry">
<span class="sig-name descname"><span class="pre">minimum_geometry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_csm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L2129-L2150"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.ChemicalEnvironments.minimum_geometry" title="Link to this definition"></a></dt>
<dd><p>Get the geometry with the minimum continuous symmetry measure of this ChemicalEnvironments.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>tuple (symbol, csm) with symbol being the geometry with the minimum continuous symmetry measure and
csm being the continuous symmetry measure associated to it.</p>
</dd>
<dt class="field-even">Raises<span class="colon">:</span></dt>
<dd class="field-even"><p><strong>ValueError if no coordination geometry is found in this ChemicalEnvironments object.</strong> – </p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">LightStructureEnvironments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">strategy</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coordination_environments</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">all_nbs_sites</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">neighbors_sets</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">valences</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">valences_origin</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1342-L2093"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">MSONable</span></code></p>
<p>Store the chemical environments of a given structure obtained from a given ChemenvStrategy. Currently,
only strategies leading to the determination of a unique environment for each site is allowed
This class does not store all the information contained in the StructureEnvironments object, only the coordination
environment found.</p>
<p>Constructor for the LightStructureEnvironments object.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>strategy</strong> – ChemEnv strategy used to get the environments.</p></li>
<li><p><strong>coordination_environments</strong> – The coordination environments identified.</p></li>
<li><p><strong>all_nbs_sites</strong> – All the possible neighbors for each site in the structure.</p></li>
<li><p><strong>neighbors_sets</strong> – The neighbors sets of each site in the structure.</p></li>
<li><p><strong>structure</strong> – The structure.</p></li>
<li><p><strong>valences</strong> – The valences used to get the environments (if needed).</p></li>
<li><p><strong>valences_origin</strong> – How the valences were obtained (e.g. from the Bond-valence analysis or from the original
structure).</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.DEFAULT_STATISTICS_FIELDS">
<span class="sig-name descname"><span class="pre">DEFAULT_STATISTICS_FIELDS</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">('anion_list',</span> <span class="pre">'anion_atom_list',</span> <span class="pre">'cation_list',</span> <span class="pre">'cation_atom_list',</span> <span class="pre">'neutral_list',</span> <span class="pre">'neutral_atom_list',</span> <span class="pre">'atom_coordination_environments_present',</span> <span class="pre">'ion_coordination_environments_present',</span> <span class="pre">'fraction_atom_coordination_environments_present',</span> <span class="pre">'fraction_ion_coordination_environments_present',</span> <span class="pre">'coordination_environments_atom_present',</span> <span class="pre">'coordination_environments_ion_present')</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.DEFAULT_STATISTICS_FIELDS" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.DELTA_MAX_OXIDATION_STATE">
<span class="sig-name descname"><span class="pre">DELTA_MAX_OXIDATION_STATE</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">0.1</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.DELTA_MAX_OXIDATION_STATE" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">NeighborsSet</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">all_nbs_sites</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">all_nbs_sites_indices</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1365-L1472"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Class used to store a given set of neighbors of a given site (based on a list of sites, the voronoi
container is not part of the LightStructureEnvironments object).</p>
<p>Constructor for NeighborsSet.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>structure</strong> – Structure object.</p></li>
<li><p><strong>isite</strong> – Index of the site for which neighbors are stored in this NeighborsSet.</p></li>
<li><p><strong>all_nbs_sites</strong> – All the possible neighbors for this site.</p></li>
<li><p><strong>all_nbs_sites_indices</strong> – Indices of the sites in all_nbs_sites that make up this NeighborsSet.</p></li>
</ul>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1442-L1447"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.as_dict" title="Link to this definition"></a></dt>
<dd><p>A JSON-serializable dict representation of the NeighborsSet.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">all_nbs_sites</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1449-L1472"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the NeighborsSet algorithm from its JSON-serializable dict representation, together with
the structure and all the possible neighbors sites.</p>
<p>As an inner (nested) class, the NeighborsSet is not supposed to be used anywhere else that inside the
LightStructureEnvironments. The from_dict method is thus using the structure and all_nbs_sites when
reconstructing itself. These two are both in the LightStructureEnvironments object.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>dct</strong> – a JSON-serializable dict representation of a NeighborsSet.</p></li>
<li><p><strong>structure</strong> – The structure.</p></li>
<li><p><strong>all_nbs_sites</strong> – The list of all the possible neighbors for a given site.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>NeighborsSet</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_coords">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">neighb_coords</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_coords" title="Link to this definition"></a></dt>
<dd><p>Coordinates of neighbors for this NeighborsSet.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_indices_and_images">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">neighb_indices_and_images</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_indices_and_images" title="Link to this definition"></a></dt>
<dd><p>List of indices and images with respect to the original unit cell sites for this NeighborsSet.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_sites">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">neighb_sites</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_sites" title="Link to this definition"></a></dt>
<dd><p>Neighbors for this NeighborsSet as pymatgen Sites.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_sites_and_indices">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">neighb_sites_and_indices</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.NeighborsSet.neighb_sites_and_indices" title="Link to this definition"></a></dt>
<dd><p>List of neighbors for this NeighborsSet as pymatgen Sites and their index in the original structure.</p>
</dd></dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L2011-L2042"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.as_dict" title="Link to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>Bson-serializable representation of the LightStructureEnvironments object.</p>
</dd>
<dt class="field-even">Return type<span class="colon">:</span></dt>
<dd class="field-even"><p>dict</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.clear_environments">
<span class="sig-name descname"><span class="pre">clear_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">conditions</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1929-L1950"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.clear_environments" title="Link to this definition"></a></dt>
<dd><p>Get the clear environments in the structure.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>conditions</strong> – Conditions to be checked for an environment to be “clear”.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Clear environments in this structure.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>list</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.contains_only_one_anion">
<span class="sig-name descname"><span class="pre">contains_only_one_anion</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">anion</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1843-L1853"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.contains_only_one_anion" title="Link to this definition"></a></dt>
<dd><p>Whether this LightStructureEnvironments concerns a structure with only one given anion type.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>anion</strong> – Anion (e.g. O2-, …).</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>True if this LightStructureEnvironments concerns a structure with only one given anion.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>bool</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.contains_only_one_anion_atom">
<span class="sig-name descname"><span class="pre">contains_only_one_anion_atom</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">anion_atom</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1829-L1841"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.contains_only_one_anion_atom" title="Link to this definition"></a></dt>
<dd><p>Whether this LightStructureEnvironments concerns a structure with only one given anion atom type.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>anion_atom</strong> – Anion (e.g. O, …). The structure could contain O2- and O- though.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>True if this LightStructureEnvironments concerns a structure with only one given anion_atom.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>bool</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.environments_identified">
<span class="sig-name descname"><span class="pre">environments_identified</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1970-L1976"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.environments_identified" title="Link to this definition"></a></dt>
<dd><p>Get the set of environments identified in this structure.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>environments identified in this structure.</p>
</dd>
<dt class="field-even">Return type<span class="colon">:</span></dt>
<dd class="field-even"><p>set</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L2044-L2093"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the LightStructureEnvironments object from a dict representation of the
LightStructureEnvironments created using the as_dict method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – dict representation of the LightStructureEnvironments object.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>LightStructureEnvironments object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.from_structure_environments">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_structure_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">strategy</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure_environments</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">valences</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">valences_origin</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1506-L1600"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.from_structure_environments" title="Link to this definition"></a></dt>
<dd><p>Construct a LightStructureEnvironments object from a strategy and a StructureEnvironments object.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>strategy</strong> – ChemEnv strategy used.</p></li>
<li><p><strong>structure_environments</strong> – StructureEnvironments object from which to construct the LightStructureEnvironments.</p></li>
<li><p><strong>valences</strong> – The valences of each site in the structure.</p></li>
<li><p><strong>valences_origin</strong> – How the valences were obtained (e.g. from the Bond-valence analysis or from the original
structure).</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>LightStructureEnvironments</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.get_site_info_for_specie_allces">
<span class="sig-name descname"><span class="pre">get_site_info_for_specie_allces</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">specie</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">min_fraction</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1775-L1807"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.get_site_info_for_specie_allces" title="Link to this definition"></a></dt>
<dd><p>Get list of indices that have the given specie.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>specie</strong> – Species to get.</p></li>
<li><p><strong>min_fraction</strong> – Minimum fraction of the coordination environment.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p><dl class="simple">
<dt>with the list of coordination environments for the given species, the indices of the sites</dt><dd><p>in which they appear, their fractions and continuous symmetry measures.</p>
</dd>
</dl>
</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>dict</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.get_site_info_for_specie_ce">
<span class="sig-name descname"><span class="pre">get_site_info_for_specie_ce</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">specie</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ce_symbol</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1747-L1773"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.get_site_info_for_specie_ce" title="Link to this definition"></a></dt>
<dd><p>Get list of indices that have the given specie with a given Coordination environment.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>specie</strong> – Species to get.</p></li>
<li><p><strong>ce_symbol</strong> – Symbol of the coordination environment to get.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p><dl class="simple">
<dt>Keys are ‘isites’, ‘fractions’, ‘csms’ which contain list of indices in the structure</dt><dd><p>that have the given specie in the given environment, their fraction and continuous
symmetry measures.</p>
</dd>
</dl>
</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>dict</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.get_statistics">
<span class="sig-name descname"><span class="pre">get_statistics</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">statistics_fields</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">('anion_list',</span> <span class="pre">'anion_atom_list',</span> <span class="pre">'cation_list',</span> <span class="pre">'cation_atom_list',</span> <span class="pre">'neutral_list',</span> <span class="pre">'neutral_atom_list',</span> <span class="pre">'atom_coordination_environments_present',</span> <span class="pre">'ion_coordination_environments_present',</span> <span class="pre">'fraction_atom_coordination_environments_present',</span> <span class="pre">'fraction_ion_coordination_environments_present',</span> <span class="pre">'coordination_environments_atom_present',</span> <span class="pre">'coordination_environments_ion_present')</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bson_compatible</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1809-L1827"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.get_statistics" title="Link to this definition"></a></dt>
<dd><p>Get the statistics of environments for this structure.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>statistics_fields</strong> – Which statistics to get.</p></li>
<li><p><strong>bson_compatible</strong> – Whether to make the dictionary BSON-compatible.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>with the requested statistics.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>dict</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.setup_statistic_lists">
<span class="sig-name descname"><span class="pre">setup_statistic_lists</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1602-L1745"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.setup_statistic_lists" title="Link to this definition"></a></dt>
<dd><p>Set up the statistics of environments for this LightStructureEnvironments.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.site_contains_environment">
<span class="sig-name descname"><span class="pre">site_contains_environment</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ce_symbol</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1855-L1868"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.site_contains_environment" title="Link to this definition"></a></dt>
<dd><p>Whether a given site contains a given coordination environment.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>ce_symbol</strong> – Symbol of the coordination environment.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>True if the site contains the given coordination environment.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>bool</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.site_has_clear_environment">
<span class="sig-name descname"><span class="pre">site_has_clear_environment</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">conditions</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1870-L1902"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.site_has_clear_environment" title="Link to this definition"></a></dt>
<dd><p>Whether a given site has a “clear” environments.</p>
<p>A “clear” environment is somewhat arbitrary. You can pass (multiple) conditions, e.g. the environment should
have a continuous symmetry measure lower than this, a fraction higher than that, …</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>conditions</strong> – Conditions to be checked for an environment to be “clear”.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>True if the site has a clear environment.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>bool</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.structure_contains_atom_environment">
<span class="sig-name descname"><span class="pre">structure_contains_atom_environment</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">atom_symbol</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ce_symbol</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1952-L1968"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.structure_contains_atom_environment" title="Link to this definition"></a></dt>
<dd><p>Checks whether the structure contains a given atom in a given environment.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>atom_symbol</strong> – Symbol of the atom.</p></li>
<li><p><strong>ce_symbol</strong> – Symbol of the coordination environment.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>True if the coordination environment is found for the given atom.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>bool</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.structure_has_clear_environments">
<span class="sig-name descname"><span class="pre">structure_has_clear_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">conditions</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">skip_none</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">skip_empty</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1904-L1927"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.structure_has_clear_environments" title="Link to this definition"></a></dt>
<dd><p>Whether all sites in a structure have “clear” environments.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>conditions</strong> – Conditions to be checked for an environment to be “clear”.</p></li>
<li><p><strong>skip_none</strong> – Whether to skip sites for which no environments have been computed.</p></li>
<li><p><strong>skip_empty</strong> – Whether to skip sites for which no environments could be found.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>True if all the sites in the structure have clear environments.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>bool</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.uniquely_determines_coordination_environments">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">uniquely_determines_coordination_environments</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.LightStructureEnvironments.uniquely_determines_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>True if the coordination environments are uniquely determined.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">StructureEnvironments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">voronoi</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">valences</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sites_map</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">equivalent_sites</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ce_list</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">neighbors_sets</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">info</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L43-L1339"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">MSONable</span></code></p>
<p>Store the chemical environments of a given structure.</p>
<p>Constructor for the StructureEnvironments object.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>voronoi</strong> – VoronoiContainer object for the structure.</p></li>
<li><p><strong>valences</strong> – Valences provided.</p></li>
<li><p><strong>sites_map</strong> – Mapping of equivalent sites to the nonequivalent sites that have been computed.</p></li>
<li><p><strong>equivalent_sites</strong> – List of list of equivalent sites of the structure.</p></li>
<li><p><strong>ce_list</strong> – List of chemical environments.</p></li>
<li><p><strong>structure</strong> – Structure object.</p></li>
<li><p><strong>neighbors_sets</strong> – List of neighbors sets.</p></li>
<li><p><strong>info</strong> – Additional information for this StructureEnvironments object.</p></li>
</ul>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.AC">
<span class="sig-name descname"><span class="pre">AC</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre"><pymatgen.analysis.chemenv.utils.defs_utils.AdditionalConditions</span> <span class="pre">object></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.AC" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">NeighborsSet</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">detailed_voronoi</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">site_voronoi_indices</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sources</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L48-L401"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Store a given set of neighbors of a given site (based on the detailed_voronoi).</p>
<p>Constructor for NeighborsSet.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>structure</strong> – Structure object.</p></li>
<li><p><strong>isite</strong> – Index of the site for which neighbors are stored in this NeighborsSet.</p></li>
<li><p><strong>detailed_voronoi</strong> – Corresponding DetailedVoronoiContainer object containing all the possible
neighbors of the give site.</p></li>
<li><p><strong>site_voronoi_indices</strong> – Indices of the voronoi sites in the DetailedVoronoiContainer object that
make up this NeighborsSet.</p></li>
<li><p><strong>sources</strong> – Sources for this NeighborsSet, i.e. how this NeighborsSet was generated.</p></li>
</ul>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.add_source">
<span class="sig-name descname"><span class="pre">add_source</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">source</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L339-L347"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.add_source" title="Link to this definition"></a></dt>
<dd><p>Add a source to this NeighborsSet.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>source</strong> – Information about the generation of this NeighborsSet.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.angle_plateau">
<span class="sig-name descname"><span class="pre">angle_plateau</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L197-L215"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.angle_plateau" title="Link to this definition"></a></dt>
<dd><p>Get the angles plateau’s for this NeighborsSet.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.angles">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">angles</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.angles" title="Link to this definition"></a></dt>
<dd><p>Angles for each neighbor in this NeighborsSet.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L368-L374"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.as_dict" title="Link to this definition"></a></dt>
<dd><p>A JSON-serializable dict representation of the NeighborsSet.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.coords">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">coords</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.coords" title="Link to this definition"></a></dt>
<dd><p>Coordinates of the current central atom and its neighbors for this NeighborsSet.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.distance_plateau">
<span class="sig-name descname"><span class="pre">distance_plateau</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L181-L195"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.distance_plateau" title="Link to this definition"></a></dt>
<dd><p>Get the distances plateau’s for this NeighborsSet.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.distances">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">distances</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.distances" title="Link to this definition"></a></dt>
<dd><p>Distances to each neighbor in this NeighborsSet.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">detailed_voronoi</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L376-L401"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the NeighborsSet algorithm from its JSON-serializable dict representation, together with
the structure and the DetailedVoronoiContainer.</p>
<p>As an inner (nested) class, the NeighborsSet is not supposed to be used anywhere else that inside the
StructureEnvironments. The from_dict method is thus using the structure and detailed_voronoi when
reconstructing itself. These two are both in the StructureEnvironments object.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>dct</strong> – a JSON-serializable dict representation of a NeighborsSet.</p></li>
<li><p><strong>structure</strong> – The structure.</p></li>
<li><p><strong>detailed_voronoi</strong> – The Voronoi object containing all the neighboring atoms from which the subset of
neighbors for this NeighborsSet is extracted.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>NeighborsSet</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.get_neighb_voronoi_indices">
<span class="sig-name descname"><span class="pre">get_neighb_voronoi_indices</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">permutation</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L84-L93"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.get_neighb_voronoi_indices" title="Link to this definition"></a></dt>
<dd><p>Get indices in the detailed_voronoi corresponding to the current permutation.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>permutation</strong> – Current permutation for which the indices in the detailed_voronoi are needed.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>indices in the detailed_voronoi.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>list[int]</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.info">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">info</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.info" title="Link to this definition"></a></dt>
<dd><p>Summarized information about this NeighborsSet.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_coords">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">neighb_coords</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_coords" title="Link to this definition"></a></dt>
<dd><p>Coordinates of neighbors for this NeighborsSet.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_coordsOpt">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">neighb_coordsOpt</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_coordsOpt" title="Link to this definition"></a></dt>
<dd><p>Optimized access to the coordinates of neighbors for this NeighborsSet.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_sites">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">neighb_sites</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_sites" title="Link to this definition"></a></dt>
<dd><p>Neighbors for this NeighborsSet as pymatgen Sites.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_sites_and_indices">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">neighb_sites_and_indices</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.neighb_sites_and_indices" title="Link to this definition"></a></dt>
<dd><p>List of neighbors for this NeighborsSet as pymatgen Sites and their index in the original structure.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.normalized_angles">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">normalized_angles</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.normalized_angles" title="Link to this definition"></a></dt>
<dd><p>Normalized angles for each neighbor in this NeighborsSet.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.normalized_distances">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">normalized_distances</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.normalized_distances" title="Link to this definition"></a></dt>
<dd><p>Normalized distances to each neighbor in this NeighborsSet.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.source">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">source</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.source" title="Link to this definition"></a></dt>
<dd><p>Returns the source of this NeighborsSet (how it was generated, e.g. from which Voronoi
cutoffs, or from hints).</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.voronoi_grid_surface_points">
<span class="sig-name descname"><span class="pre">voronoi_grid_surface_points</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">additional_condition</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">other_origins</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'DO_NOTHING'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L217-L327"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.NeighborsSet.voronoi_grid_surface_points" title="Link to this definition"></a></dt>
<dd><p>Get the surface points in the Voronoi grid for this neighbor from the sources.
The general shape of the points should look like a staircase such as in the following figure :</p>
<blockquote>
<div><p>^</p>
</div></blockquote>
<dl>
<dt>0.0|</dt><dd><div class="line-block">
<div class="line"><br /></div>
<div class="line-block">
<div class="line">B—-C</div>
<div class="line">| |</div>
<div class="line">| |</div>
</div>
</div>
</dd>
</dl>
<p>a | k D——-E
n | | |
g | | |
l | | |
e | j F—-n———G</p>
<blockquote>
<div><div class="line-block">
<div class="line">| |</div>
<div class="line">| |</div>
<div class="line">A—-g——-h—-i———H</div>
<div class="line"><br /></div>
<div class="line"><br /></div>
</div>
</div></blockquote>
<dl class="simple">
<dt>1.0+————————————————-></dt><dd><p>1.0 distance 2.0 ->+Inf</p>
</dd>
</dl>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>additional_condition</strong> – Additional condition for the neighbors.</p></li>
<li><p><strong>other_origins</strong> – What to do with sources that do not come from the Voronoi grid (e.g. “from hints”).</p></li>
</ul>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.add_neighbors_set">
<span class="sig-name descname"><span class="pre">add_neighbors_set</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L524-L544"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.add_neighbors_set" title="Link to this definition"></a></dt>
<dd><p>Adds a neighbor set to the list of neighbors sets for this site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site under consideration.</p></li>
<li><p><strong>nb_set</strong> – NeighborsSet to be added.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1220-L1270"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.as_dict" title="Link to this definition"></a></dt>
<dd><p>Bson-serializable dict representation of the StructureEnvironments object.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>Bson-serializable dict representation of the StructureEnvironments object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.differences_wrt">
<span class="sig-name descname"><span class="pre">differences_wrt</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">other</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1045-L1191"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.differences_wrt" title="Link to this definition"></a></dt>
<dd><p>Get differences found in the current StructureEnvironments with respect to another StructureEnvironments.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>other</strong> – A StructureEnvironments object.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of differences between the two StructureEnvironments objects.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1272-L1339"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the StructureEnvironments object from a dict representation of the StructureEnvironments created
using the as_dict method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – dict representation of the StructureEnvironments object.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>StructureEnvironments object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_coordination_environments">
<span class="sig-name descname"><span class="pre">get_coordination_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L583-L602"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Get the ChemicalEnvironments for a given site, coordination and neighbors set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site for which the ChemicalEnvironments is looked for.</p></li>
<li><p><strong>cn</strong> – Coordination for which the ChemicalEnvironments is looked for.</p></li>
<li><p><strong>nb_set</strong> – Neighbors set for which the ChemicalEnvironments is looked for.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>ChemicalEnvironments</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_csm">
<span class="sig-name descname"><span class="pre">get_csm</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mp_symbol</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L604-L621"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_csm" title="Link to this definition"></a></dt>
<dd><p>Get the continuous symmetry measure for a given site in the given coordination environment.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>mp_symbol</strong> – Symbol of the coordination environment for which we want the continuous symmetry measure.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Continuous symmetry measure of the given site in the given environment.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_csm_and_maps">
<span class="sig-name descname"><span class="pre">get_csm_and_maps</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_csm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">8.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">figsize</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symmetry_measure_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">tuple</span><span class="p"><span class="pre">[</span></span><span class="pre">Figure</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Axes</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L659-L790"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_csm_and_maps" title="Link to this definition"></a></dt>
<dd><p>Plotting of the coordination numbers of a given site for all the distfactor/angfactor parameters. If the
chemical environments are given, a color map is added to the plot, with the lowest continuous symmetry measure
as the value for the color of that distfactor/angfactor set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site for which the plot has to be done.</p></li>
<li><p><strong>max_csm</strong> – Maximum continuous symmetry measure to be shown.</p></li>
<li><p><strong>figsize</strong> – Size of the figure.</p></li>
<li><p><strong>symmetry_measure_type</strong> – Type of continuous symmetry measure to be used.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Matplotlib figure and axes representing the CSM and maps.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_csms">
<span class="sig-name descname"><span class="pre">get_csms</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mp_symbol</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">list</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L623-L641"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_csms" title="Link to this definition"></a></dt>
<dd><p>Get the continuous symmetry measure(s) of site with index isite with respect to the
perfect coordination environment with mp_symbol. For some environments, a given mp_symbol might not
be available (if there is no voronoi parameters leading to a number of neighbors corresponding to
the coordination number of environment mp_symbol). For some environments, a given mp_symbol might
lead to more than one csm (when two or more different voronoi parameters lead to different neighbors
but with same number of neighbors).</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>mp_symbol</strong> – MP symbol of the perfect environment for which the csm has to be given.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>for site isite with respect to geometry mp_symbol</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>list[CSM]</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_environments_figure">
<span class="sig-name descname"><span class="pre">get_environments_figure</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">plot_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">title</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'Coordination</span> <span class="pre">numbers'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_dist</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">2.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">colormap</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">figsize</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">strategy</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L792-L973"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.get_environments_figure" title="Link to this definition"></a></dt>
<dd><p>Plotting of the coordination environments of a given site for all the distfactor/angfactor regions. The
chemical environments with the lowest continuous symmetry measure is shown for each distfactor/angfactor
region as the value for the color of that distfactor/angfactor region (using a colormap).</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site for which the plot has to be done.</p></li>
<li><p><strong>plot_type</strong> – How to plot the coordinations.</p></li>
<li><p><strong>title</strong> – Title for the figure.</p></li>
<li><p><strong>max_dist</strong> – Maximum distance to be plotted when the plotting of the distance is set to ‘initial_normalized’
or ‘initial_real’ (Warning: this is not the same meaning in both cases! In the first case, the
closest atom lies at a “normalized” distance of 1.0 so that 2.0 means refers to this normalized
distance while in the second case, the real distance is used).</p></li>
<li><p><strong>colormap</strong> – Color map to be used for the continuous symmetry measure.</p></li>
<li><p><strong>figsize</strong> – Size of the figure.</p></li>
<li><p><strong>strategy</strong> – Whether to plot information about one of the Chemenv Strategies.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>matplotlib figure and axes representing the environments.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>tuple[plt.Figure, plt.Axes]</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.init_neighbors_sets">
<span class="sig-name descname"><span class="pre">init_neighbors_sets</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_conditions</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">valences</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L440-L522"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.init_neighbors_sets" title="Link to this definition"></a></dt>
<dd><p>Initialize the list of neighbors sets for the current site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site under consideration.</p></li>
<li><p><strong>additional_conditions</strong> – Additional conditions to be used for the initialization of the list of
neighbors sets, e.g. “Only anion-cation bonds”, …</p></li>
<li><p><strong>valences</strong> – List of valences for each site in the structure (needed if an additional condition based on the
valence is used, e.g. only anion-cation bonds).</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.plot_csm_and_maps">
<span class="sig-name descname"><span class="pre">plot_csm_and_maps</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_csm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">8.0</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L643-L657"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.plot_csm_and_maps" title="Link to this definition"></a></dt>
<dd><p>Plotting of the coordination numbers of a given site for all the distfactor/angfactor parameters. If the
chemical environments are given, a color map is added to the plot, with the lowest continuous symmetry measure
as the value for the color of that distfactor/angfactor set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site for which the plot has to be done</p></li>
<li><p><strong>max_csm</strong> – Maximum continuous symmetry measure to be shown.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.plot_environments">
<span class="sig-name descname"><span class="pre">plot_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">plot_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">title</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'Coordination</span> <span class="pre">numbers'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_dist</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">2.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">figsize</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">strategy</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L975-L1010"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.plot_environments" title="Link to this definition"></a></dt>
<dd><p>Plotting of the coordination numbers of a given site for all the distfactor/angfactor parameters. If the
chemical environments are given, a color map is added to the plot, with the lowest continuous symmetry measure
as the value for the color of that distfactor/angfactor set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site for which the plot has to be done.</p></li>
<li><p><strong>plot_type</strong> – How to plot the coordinations.</p></li>
<li><p><strong>title</strong> – Title for the figure.</p></li>
<li><p><strong>max_dist</strong> – Maximum distance to be plotted when the plotting of the distance is set to ‘initial_normalized’
or ‘initial_real’ (Warning: this is not the same meaning in both cases! In the first case, the
closest atom lies at a “normalized” distance of 1.0 so that 2.0 means refers to this normalized
distance while in the second case, the real distance is used).</p></li>
<li><p><strong>figsize</strong> – Size of the figure.</p></li>
<li><p><strong>strategy</strong> – Whether to plot information about one of the Chemenv Strategies.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.save_environments_figure">
<span class="sig-name descname"><span class="pre">save_environments_figure</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">imagename</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'image.png'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">plot_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">title</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'Coordination</span> <span class="pre">numbers'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_dist</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">2.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">figsize</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L1012-L1043"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.save_environments_figure" title="Link to this definition"></a></dt>
<dd><p>Save the environments figure to a given file.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site for which the plot has to be done.</p></li>
<li><p><strong>imagename</strong> – Name of the file to which the figure has to be saved.</p></li>
<li><p><strong>plot_type</strong> – How to plot the coordinations.</p></li>
<li><p><strong>title</strong> – Title for the figure.</p></li>
<li><p><strong>max_dist</strong> – Maximum distance to be plotted when the plotting of the distance is set to ‘initial_normalized’
or ‘initial_real’ (Warning: this is not the same meaning in both cases! In the first case, the
closest atom lies at a “normalized” distance of 1.0 so that 2.0 means refers to this normalized
distance while in the second case, the real distance is used).</p></li>
<li><p><strong>figsize</strong> – Size of the figure.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.update_coordination_environments">
<span class="sig-name descname"><span class="pre">update_coordination_environments</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cn</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nb_set</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ce</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L546-L569"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.update_coordination_environments" title="Link to this definition"></a></dt>
<dd><p>Updates the coordination environment for this site, coordination and neighbor set.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site to be updated.</p></li>
<li><p><strong>cn</strong> – Coordination to be updated.</p></li>
<li><p><strong>nb_set</strong> – Neighbors set to be updated.</p></li>
<li><p><strong>ce</strong> – ChemicalEnvironments object for this neighbors set.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.update_site_info">
<span class="sig-name descname"><span class="pre">update_site_info</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">info_dict</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/structure_environments.py#L571-L581"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.structure_environments.StructureEnvironments.update_site_info" title="Link to this definition"></a></dt>
<dd><p>Update information about this site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site for which info has to be updated.</p></li>
<li><p><strong>info_dict</strong> – Dictionary of information to be added for this site.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
</dd></dl>
</section>
<section id="module-pymatgen.analysis.chemenv.coordination_environments.voronoi">
<span id="pymatgen-analysis-chemenv-coordination-environments-voronoi-module"></span><h2>pymatgen.analysis.chemenv.coordination_environments.voronoi module<a class="headerlink" href="#module-pymatgen.analysis.chemenv.coordination_environments.voronoi" title="Link to this heading"></a></h2>
<p>This module contains the object used to describe the possible bonded atoms based on a Voronoi analysis.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">DetailedVoronoiContainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">voronoi_list2</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">voronoi_cutoff</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">10.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">isites</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">normalized_distance_tolerance</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1e-05</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">normalized_angle_tolerance</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.001</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_conditions</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">valences</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">maximum_distance_factor</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">minimum_angle_factor</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L66-L963"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer" title="Link to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">MSONable</span></code></p>
<p>Store the full Voronoi of a given structure.</p>
<p>Constructor for the VoronoiContainer object. Either a structure is given, in which case the Voronoi is
computed, or the different components of the VoronoiContainer are given (used in the from_dict method).</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>structure</strong> – Structure for which the Voronoi is computed.</p></li>
<li><p><strong>voronoi_list2</strong> – List of voronoi polyhedrons for each site.</p></li>
<li><p><strong>voronoi_cutoff</strong> – cutoff used for the voronoi.</p></li>
<li><p><strong>isites</strong> – indices of sites for which the Voronoi has to be computed.</p></li>
<li><p><strong>normalized_distance_tolerance</strong> – Tolerance for two normalized distances to be considered equal.</p></li>
<li><p><strong>normalized_angle_tolerance</strong> – Tolerance for two normalized angles to be considered equal.</p></li>
<li><p><strong>additional_conditions</strong> – Additional conditions to be used.</p></li>
<li><p><strong>valences</strong> – Valences of all the sites in the structure (used when additional conditions require it).</p></li>
<li><p><strong>maximum_distance_factor</strong> – The maximum distance factor to be considered.</p></li>
<li><p><strong>minimum_angle_factor</strong> – The minimum angle factor to be considered.</p></li>
</ul>
</dd>
<dt class="field-even">Raises<span class="colon">:</span></dt>
<dd class="field-even"><p><strong>RuntimeError if the Voronoi cannot be constructed.</strong> – </p>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.AC">
<span class="sig-name descname"><span class="pre">AC</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre"><pymatgen.analysis.chemenv.utils.defs_utils.AdditionalConditions</span> <span class="pre">object></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/voronoi.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.AC" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L914-L934"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.as_dict" title="Link to this definition"></a></dt>
<dd><p>Bson-serializable dict representation of the VoronoiContainer.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>dictionary that is BSON-encodable.</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.default_normalized_angle_tolerance">
<span class="sig-name descname"><span class="pre">default_normalized_angle_tolerance</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">0.001</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/voronoi.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.default_normalized_angle_tolerance" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.default_normalized_distance_tolerance">
<span class="sig-name descname"><span class="pre">default_normalized_distance_tolerance</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">1e-05</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/voronoi.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.default_normalized_distance_tolerance" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.default_voronoi_cutoff">
<span class="sig-name descname"><span class="pre">default_voronoi_cutoff</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">10.0</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/analysis/chemenv/coordination_environments/voronoi.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.default_voronoi_cutoff" title="Link to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">Self</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L936-L963"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.from_dict" title="Link to this definition"></a></dt>
<dd><p>Reconstructs the VoronoiContainer object from a dict representation of the VoronoiContainer created using
the as_dict method.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>dct</strong> – dict representation of the VoronoiContainer object.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>VoronoiContainer object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.get_rdf_figure">
<span class="sig-name descname"><span class="pre">get_rdf_figure</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">normalized</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">figsize</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">step_function</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L778-L825"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.get_rdf_figure" title="Link to this definition"></a></dt>
<dd><p>Get the Radial Distribution Figure for a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>normalized</strong> – Whether to normalize distances.</p></li>
<li><p><strong>figsize</strong> – Size of the figure.</p></li>
<li><p><strong>step_function</strong> – Type of step function to be used for the RDF.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Matplotlib figure.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>plt.figure</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.get_sadf_figure">
<span class="sig-name descname"><span class="pre">get_sadf_figure</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">normalized</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">figsize</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">step_function</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L827-L874"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.get_sadf_figure" title="Link to this definition"></a></dt>
<dd><p>Get the Solid Angle Distribution Figure for a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>normalized</strong> – Whether to normalize angles.</p></li>
<li><p><strong>figsize</strong> – Size of the figure.</p></li>
<li><p><strong>step_function</strong> – Type of step function to be used for the SADF.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>matplotlib figure.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>plt.figure</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.is_close_to">
<span class="sig-name descname"><span class="pre">is_close_to</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">other</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rtol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1e-08</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">bool</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L707-L776"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.is_close_to" title="Link to this definition"></a></dt>
<dd><p>Whether two DetailedVoronoiContainer objects are close to each other.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>other</strong> – Another DetailedVoronoiContainer to be compared with.</p></li>
<li><p><strong>rtol</strong> – Relative tolerance to compare values.</p></li>
<li><p><strong>atol</strong> – Absolute tolerance to compare values.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>True if the two DetailedVoronoiContainer are close to each other.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>bool</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.maps_and_surfaces">
<span class="sig-name descname"><span class="pre">maps_and_surfaces</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">surface_calculation_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_dist</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">2.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_conditions</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L535-L577"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.maps_and_surfaces" title="Link to this definition"></a></dt>
<dd><p>Get the different surfaces and their cn_map corresponding to the different distance-angle cutoffs
for a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site</p></li>
<li><p><strong>surface_calculation_type</strong> – How to compute the surface.</p></li>
<li><p><strong>max_dist</strong> – The maximum distance factor to be considered.</p></li>
<li><p><strong>additional_conditions</strong> – If additional conditions have to be considered.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Surfaces and cn_map’s for each distance-angle cutoff.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.maps_and_surfaces_bounded">
<span class="sig-name descname"><span class="pre">maps_and_surfaces_bounded</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">surface_calculation_options</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_conditions</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L579-L610"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.maps_and_surfaces_bounded" title="Link to this definition"></a></dt>
<dd><p>Get the different surfaces (using boundaries) and their cn_map corresponding to the different
distance-angle cutoffs for a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site</p></li>
<li><p><strong>surface_calculation_options</strong> – Options for the boundaries.</p></li>
<li><p><strong>additional_conditions</strong> – If additional conditions have to be considered.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Surfaces and cn_map’s for each distance-angle cutoff.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.neighbors">
<span class="sig-name descname"><span class="pre">neighbors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distfactor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">angfactor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">additional_condition</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L612-L645"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.neighbors" title="Link to this definition"></a></dt>
<dd><p>Get the neighbors of a given site corresponding to a given distance and angle factor.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>distfactor</strong> – Distance factor.</p></li>
<li><p><strong>angfactor</strong> – Angle factor.</p></li>
<li><p><strong>additional_condition</strong> – Additional condition to be used (currently not implemented).</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>List of neighbors of the given site for the given distance and angle factors.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.neighbors_surfaces">
<span class="sig-name descname"><span class="pre">neighbors_surfaces</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">surface_calculation_type</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_dist</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">2.0</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L412-L434"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.neighbors_surfaces" title="Link to this definition"></a></dt>
<dd><p>Get the different surfaces corresponding to the different distance-angle cutoffs for a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site</p></li>
<li><p><strong>surface_calculation_type</strong> – How to compute the surface.</p></li>
<li><p><strong>max_dist</strong> – The maximum distance factor to be considered.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Surfaces for each distance-angle cutoff.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.neighbors_surfaces_bounded">
<span class="sig-name descname"><span class="pre">neighbors_surfaces_bounded</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">surface_calculation_options</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L436-L509"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.neighbors_surfaces_bounded" title="Link to this definition"></a></dt>
<dd><p>Get the different surfaces (using boundaries) corresponding to the different distance-angle cutoffs
for a given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>surface_calculation_options</strong> – Options for the boundaries.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Surfaces for each distance-angle cutoff.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.setup_neighbors_distances_and_angles">
<span class="sig-name descname"><span class="pre">setup_neighbors_distances_and_angles</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">indices</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L195-L342"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.setup_neighbors_distances_and_angles" title="Link to this definition"></a></dt>
<dd><p>Initialize the angle and distance separations.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>indices</strong> – Indices of the sites for which the Voronoi is needed.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.setup_voronoi_list">
<span class="sig-name descname"><span class="pre">setup_voronoi_list</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">indices</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">voronoi_cutoff</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L128-L193"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.setup_voronoi_list" title="Link to this definition"></a></dt>
<dd><p>Set up of the voronoi list of neighbors by calling qhull.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>indices</strong> – indices of the sites for which the Voronoi is needed.</p></li>
<li><p><strong>voronoi_cutoff</strong> – Voronoi cutoff for the search of neighbors.</p></li>
</ul>
</dd>
<dt class="field-even">Raises<span class="colon">:</span></dt>
<dd class="field-even"><p><strong>RuntimeError</strong> – If an infinite vertex is found in the voronoi construction.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.to_bson_voronoi_list2">
<span class="sig-name descname"><span class="pre">to_bson_voronoi_list2</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L889-L912"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.to_bson_voronoi_list2" title="Link to this definition"></a></dt>
<dd><p>Transforms the voronoi_list into a vlist + bson_nb_voro_list, that are BSON-encodable.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>[vlist, bson_nb_voro_list], to be used in the as_dict method.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.voronoi_parameters_bounds_and_limits">
<span class="sig-name descname"><span class="pre">voronoi_parameters_bounds_and_limits</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">isite</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">plot_type</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_dist</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L647-L705"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.DetailedVoronoiContainer.voronoi_parameters_bounds_and_limits" title="Link to this definition"></a></dt>
<dd><p>Get the different boundaries and limits of the distance and angle factors for the given site.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>isite</strong> – Index of the site.</p></li>
<li><p><strong>plot_type</strong> – Types of distance/angle parameters to get.</p></li>
<li><p><strong>max_dist</strong> – Maximum distance factor.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Distance and angle bounds and limits.</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.analysis.chemenv.coordination_environments.voronoi.from_bson_voronoi_list2">
<span class="sig-name descname"><span class="pre">from_bson_voronoi_list2</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">bson_nb_voro_list2</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><a class="reference internal" href="pymatgen.core.html#pymatgen.core.sites.PeriodicSite" title="pymatgen.core.sites.PeriodicSite"><span class="pre">PeriodicSite</span></a><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2025.1.24/src/pymatgen/core/../analysis/chemenv/coordination_environments/voronoi.py#L36-L63"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.analysis.chemenv.coordination_environments.voronoi.from_bson_voronoi_list2" title="Link to this definition"></a></dt>
<dd><p>Get the voronoi_list needed for the VoronoiContainer object from a BSON-encoded voronoi_list.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>bson_nb_voro_list2</strong> – List of periodic sites involved in the Voronoi.</p></li>
<li><p><strong>structure</strong> – Structure object.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>The voronoi_list needed for the VoronoiContainer (with PeriodicSites as keys of the dictionary - not
allowed in the BSON format).</p>
</dd>
</dl>
</dd></dl>
</section>
</section>
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