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<div class="title">isomorphism.h File Reference</div> </div>
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<div class="textblock"><code>#include <<a class="el" href="mol_8h_source.shtml">openbabel/mol.h</a>></code><br/>
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This graph shows which files directly or indirectly include this file:</div>
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<div class="center"><img src="isomorphism_8h__dep__incl.png" border="0" usemap="#isomorphism_8hdep" alt=""/></div>
<map name="isomorphism_8hdep" id="isomorphism_8hdep">
<area shape="rect" id="node3" href="align_8h.shtml" title="Perform a least-squares alignment of two molecules or two vectors of vector3 objects." alt="" coords="155,83,219,112"/><area shape="rect" id="node9" href="stereo_8h.shtml" title="Process molecular stereochemistry information." alt="" coords="648,83,725,112"/><area shape="rect" id="node19" href="isomorphism_8cpp.shtml" title="OBIsomorphismMapper class for finding isomorphisms." alt="" coords="273,237,407,267"/><area shape="rect" id="node5" href="conformersearch_8cpp.shtml" title="Conformer searching using genetic algorithm." alt="" coords="5,160,168,189"/><area shape="rect" id="node7" href="align_8cpp.shtml" title="Handle 3D coordinates." alt="" coords="167,237,247,267"/><area shape="rect" id="node11" href="builder_8h.shtml" title="Class to build 3D structures." alt="" coords="584,160,661,189"/><area shape="rect" id="node13" href="atom_8cpp.shtml" title="Handle OBAtom class." alt="" coords="800,237,885,267"/><area shape="rect" id="node15" href="builder_8cpp.shtml" title="Handle OBBuilder class." alt="" coords="537,237,631,267"/><area shape="rect" id="node17" href="graphsym_8h.shtml" title="Handle and perceive graph symmtery for canonical numbering." alt="" coords="293,160,392,189"/><area shape="rect" id="node22" href="tetranonplanar_8h.shtml" title="Base class for handling and storing non-planar stereochemistry with 4 reference atom ids..." alt="" coords="685,160,819,189"/><area shape="rect" id="node24" href="tetraplanar_8h.shtml" title="Base class for handling and storing planar stereochemistry with 4 reference atoms." alt="" coords="843,160,952,189"/><area shape="rect" id="node28" href="mcdlutil_8cpp.shtml" title="2D molecule coordinate generation." alt="" coords="1027,160,1128,189"/><area shape="rect" id="node30" href="parsmart_8cpp.shtml" title="Implementation of Daylight SMARTS parser." alt="" coords="1152,160,1261,189"/><area shape="rect" id="node32" href="depict_8cpp.shtml" title="2D depiction of molecules using OBPainter." alt="" coords="416,160,509,189"/></map>
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<p><a href="isomorphism_8h_source.shtml">Go to the source code of this file.</a></p>
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Classes</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBIsomorphismMapper.shtml">OBIsomorphismMapper</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Abstract class defining interface for isomorphism (i.e. substructure) searches. <a href="classOpenBabel_1_1OBIsomorphismMapper.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBIsomorphismMapper_1_1Functor.shtml">OBIsomorphismMapper::Functor</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight"><a class="el" href="classOpenBabel_1_1OBIsomorphismMapper_1_1Functor.shtml" title="Functor base class to be used in combination with MapGeneric.">Functor</a> base class to be used in combination with MapGeneric. <a href="classOpenBabel_1_1OBIsomorphismMapper_1_1Functor.shtml#details">More...</a><br/></td></tr>
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<tr><td class="memItemLeft" align="right" valign="top">namespace  </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml">OpenBabel</a></td></tr>
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Typedefs</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef <br class="typebreak"/>
OBIsomorphismMapper::Mapping </td><td class="memItemRight" valign="bottom"><a class="el" href="group__substructure.shtml#ga9373f6c3f788157de6f03c9403be34c4">Automorphism</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef <br class="typebreak"/>
OBIsomorphismMapper::Mappings </td><td class="memItemRight" valign="bottom"><a class="el" href="group__substructure.shtml#ga6179e6c11d4f797e8d0ef6ac5c9f25a8">Automorphisms</a></td></tr>
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Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="group__substructure.shtml#ga4edd651fb377c60f3b7ac2f48b7f5e57">MapsTo</a> (const OBIsomorphismMapper::Mapping &map, unsigned int queryIndex, unsigned int &queriedIndex)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="group__substructure.shtml#ga16841a730cf92c8e51a804ad8d746307">FindAutomorphisms</a> (OBMol *mol, std::vector< OBIsomorphismMapper::Mapping > &aut, const std::vector< unsigned int > &symmetry_classes, const OBBitVec &mask=OBBitVec(), std::size_t maxMemory=3000000)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="group__substructure.shtml#ga7753422526ba34488edf393803aabad7">FindAutomorphisms</a> (OBMol *mol, std::vector< OBIsomorphismMapper::Mapping > &aut, const OBBitVec &mask=OBBitVec(), std::size_t maxMemory=3000000)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__substructure.shtml#ga6a2b6b84fc5e4432152e29001877c59b">FindAutomorphisms</a> (OBIsomorphismMapper::Functor &functor, OBMol *mol, const std::vector< unsigned int > &symmetry_classes, const OBBitVec &mask=OBBitVec())</td></tr>
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<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>OBIsomorphismMapper class for finding isomorphisms. </p>
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