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<div class="textblock"><code>#include <openbabel/babelconfig.h></code><br/>
<code>#include <vector></code><br/>
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This graph shows which files directly or indirectly include this file:</div>
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<area shape="rect" id="node3" href="atom_8cpp.shtml" title="Handle OBAtom class." alt="" coords="5,83,91,112"/><area shape="rect" id="node5" href="molchrg_8cpp.shtml" title="Assign Gasteiger partial charges." alt="" coords="115,83,216,112"/></map>
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<p><a href="molchrg_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_1GasteigerState.shtml">GasteigerState</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Helper class for <a class="el" href="classOpenBabel_1_1OBGastChrg.shtml" title="Assigns Gasteiger partial charges.">OBGastChrg</a> which stores the Gasteiger states of a given atom. <a href="classOpenBabel_1_1GasteigerState.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_1OBGastChrg.shtml">OBGastChrg</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Assigns Gasteiger partial charges. <a href="classOpenBabel_1_1OBGastChrg.shtml#details">More...</a><br/></td></tr>
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Namespaces</h2></td></tr>
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Defines</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="molchrg_8h.shtml#ad4301eec58fa6ea8ce40afef7f75d142">OB_GASTEIGER_DENOM</a>   20.02</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="molchrg_8h.shtml#ac4d6e8c6938e13683c2ec5426bc413c2">OB_GASTEIGER_DAMP</a>   0.5</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="molchrg_8h.shtml#a6c8bae97c124cfd03703fd867e957402">OB_GASTEIGER_ITERS</a>   6</td></tr>
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<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Assign Gasteiger partial charges. </p>
</div><hr/><h2>Define Documentation</h2>
<a class="anchor" id="ad4301eec58fa6ea8ce40afef7f75d142"></a><!-- doxytag: member="molchrg.h::OB_GASTEIGER_DENOM" ref="ad4301eec58fa6ea8ce40afef7f75d142" args="" -->
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<td class="memname">#define OB_GASTEIGER_DENOM   20.02</td>
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<p>Referenced by <a class="el" href="classOpenBabel_1_1OBGastChrg.shtml#a1c145997cdde372b0d870cabc0aede0a">OBGastChrg::AssignPartialCharges()</a>.</p>
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<td class="memname">#define OB_GASTEIGER_DAMP   0.5</td>
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<p>Referenced by <a class="el" href="classOpenBabel_1_1OBGastChrg.shtml#a1c145997cdde372b0d870cabc0aede0a">OBGastChrg::AssignPartialCharges()</a>.</p>
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<a class="anchor" id="a6c8bae97c124cfd03703fd867e957402"></a><!-- doxytag: member="molchrg.h::OB_GASTEIGER_ITERS" ref="a6c8bae97c124cfd03703fd867e957402" args="" -->
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<td class="memname">#define OB_GASTEIGER_ITERS   6</td>
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<p>Referenced by <a class="el" href="classOpenBabel_1_1OBGastChrg.shtml#a1c145997cdde372b0d870cabc0aede0a">OBGastChrg::AssignPartialCharges()</a>.</p>
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