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<div class="title">stereo.h File Reference</div> </div>
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<div class="textblock"><code>#include <<a class="el" href="base_8h_source.shtml">openbabel/base.h</a>></code><br/>
<code>#include <<a class="el" href="isomorphism_8h_source.shtml">openbabel/isomorphism.h</a>></code><br/>
<code>#include <vector></code><br/>
<code>#include <map></code><br/>
<code>#include <set></code><br/>
<code>#include <climits></code><br/>
</div><div class="textblock"><div class="dynheader">
This graph shows which files directly or indirectly include this file:</div>
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<div class="center"><img src="stereo_8h__dep__incl.png" border="0" usemap="#stereo_8hdep" alt=""/></div>
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<area shape="rect" id="node3" href="builder_8h.shtml" title="Class to build 3D structures." alt="" coords="208,83,286,112"/><area shape="rect" id="node7" href="atom_8cpp.shtml" title="Handle OBAtom class." alt="" coords="23,160,108,189"/><area shape="rect" id="node9" href="builder_8cpp.shtml" title="Handle OBBuilder class." alt="" coords="200,237,294,267"/><area shape="rect" id="node13" href="graphsym_8h.shtml" title="Handle and perceive graph symmtery for canonical numbering." alt="" coords="895,160,994,189"/><area shape="rect" id="node25" href="tetranonplanar_8h.shtml" title="Base class for handling and storing non-planar stereochemistry with 4 reference atom ids..." alt="" coords="636,83,770,112"/><area shape="rect" id="node33" href="parsmart_8cpp.shtml" title="Implementation of Daylight SMARTS parser." alt="" coords="795,237,904,267"/><area shape="rect" id="node35" href="tetraplanar_8h.shtml" title="Base class for handling and storing planar stereochemistry with 4 reference atoms." alt="" coords="452,83,562,112"/><area shape="rect" id="node42" href="mcdlutil_8cpp.shtml" title="2D molecule coordinate generation." alt="" coords="416,237,518,267"/><area shape="rect" id="node52" href="depict_8cpp.shtml" title="2D depiction of molecules using OBPainter." alt="" coords="895,83,988,112"/><area shape="rect" id="node5" href="alias_8cpp.shtml" title="OBGenericData class to for atom alias data (e.g., in 2D drawing programs for "COOH")" alt="" coords="132,160,210,189"/><area shape="rect" id="node11" href="mol_8cpp.shtml" title="Handle molecules. Implementation of OBMol." alt="" coords="318,237,392,267"/><area shape="rect" id="node15" href="canon_8cpp.shtml" title="Canonical numbering of SMILES, molecules and fragments." alt="" coords="680,237,771,267"/><area shape="rect" id="node17" href="graphsym_8cpp.shtml" title="Handle and perceive graph symmtery for canonical numbering." alt="" coords="542,237,656,267"/><area shape="rect" id="node19" href="isomorphism_8cpp.shtml" title="OBIsomorphismMapper class for finding isomorphisms." alt="" coords="928,237,1062,267"/><area shape="rect" id="node21" href="kekulize_8cpp.shtml" title="Alternate algorithm to kekulize a molecule (OBMol::NewPerceiveKekuleBonds())." alt="" coords="1086,237,1190,267"/><area shape="rect" id="node23" href="align_8cpp.shtml" title="Handle 3D coordinates." alt="" coords="1214,237,1294,267"/><area shape="rect" id="node27" href="tetrahedral_8h.shtml" title="Handle general non-planar tetrahedral stereochemistry." alt="" coords="643,160,752,189"/><area shape="rect" id="node37" href="cistrans_8h.shtml" title="Store and convert cis/trans double-bond stereochemistry." alt="" coords="476,160,562,189"/><area shape="rect" id="node45" href="squareplanar_8h.shtml" title="Store and convert square-planar stereochemistry." alt="" coords="335,160,452,189"/></map>
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<p><a href="stereo_8h_source.shtml">Go to the source code of this file.</a></p>
<table class="memberdecls">
<tr><td colspan="2"><h2><a name="nested-classes"></a>
Classes</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenBabel_1_1OBStereo.shtml">OBStereo</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Placeholder for enums & Ref/Refs related functions. <a href="structOpenBabel_1_1OBStereo.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">struct  </td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenBabel_1_1OBStereoUnit.shtml">OBStereoUnit</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Struct representing a single stereogenic unit. <a href="structOpenBabel_1_1OBStereoUnit.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_1OBStereoBase.shtml">OBStereoBase</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Base class for all stereochemistry classes. <a href="classOpenBabel_1_1OBStereoBase.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_1OBStereoFacade.shtml">OBStereoFacade</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Facade to simplify retrieval of <a class="el" href="classOpenBabel_1_1OBStereoBase.shtml" title="Base class for all stereochemistry classes.">OBStereoBase</a> derived objects. <a href="classOpenBabel_1_1OBStereoFacade.shtml#details">More...</a><br/></td></tr>
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Namespaces</h2></td></tr>
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<tr><td colspan="2"><h2><a name="typedef-members"></a>
Typedefs</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef std::vector< OBStereoUnit > </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga042299211c7a52f5aee1975d32820af7">OBStereoUnitSet</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef std::vector<br class="typebreak"/>
< OBStereoUnitSet > </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga75c7c66edf2555b974417a77968ebb57">OBStereoUnitSetOfSets</a></td></tr>
<tr><td colspan="2"><h2><a name="func-members"></a>
Functions</h2></td></tr>
<tr><td colspan="2"><div class="groupHeader">High level functions</div></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#gae7aedffc6994cf26d16524389c56bdac">PerceiveStereo</a> (OBMol *mol, bool force=false)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga305c9600a3a336da16683baa395e20f4">StereoFrom2D</a> (OBMol *mol, std::map< OBBond *, enum OBStereo::BondDirection > *updown=NULL, bool force=false)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#gaebcf38fd76c5d76fffbae808b8571f9b">StereoFrom3D</a> (OBMol *mol, bool force=false)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga419e494a34740f1f8003acabfa30a95b">StereoFrom0D</a> (OBMol *mol)</td></tr>
<tr><td colspan="2"><div class="groupHeader">Low level functions</div></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::vector<br class="typebreak"/>
< OBTetrahedralStereo * > </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga35e07645a245db366b115f0dc20542fd">TetrahedralFrom3D</a> (OBMol *mol, const OBStereoUnitSet &stereoUnits, bool addToMol=true)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::vector<br class="typebreak"/>
< OBTetrahedralStereo * > </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#gab85c5ef4c9416ee7af02b21658fe9de2">TetrahedralFrom2D</a> (OBMol *mol, const OBStereoUnitSet &stereoUnits, bool addToMol=true)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::vector<br class="typebreak"/>
< OBTetrahedralStereo * > </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#gac3049b86debe9059b851825b29b1557c">TetrahedralFrom0D</a> (OBMol *mol, const OBStereoUnitSet &stereoUnits, bool addToMol=true)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::vector< OBCisTransStereo * > </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga7e1ba3a4ac33b0c6404b0d960cc53d00">CisTransFrom3D</a> (OBMol *mol, const OBStereoUnitSet &stereoUnits, bool addToMol=true)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::vector< OBCisTransStereo * > </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga98528c3002ed718695ccfaf031ca3f04">CisTransFrom2D</a> (OBMol *mol, const OBStereoUnitSet &stereoUnits, const std::map< OBBond *, enum OBStereo::BondDirection > *updown=NULL, bool addToMol=true)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga182a53150e1793ac1ec14958afb05f17">TetStereoToWedgeHash</a> (OBMol &mol, std::map< OBBond *, enum OBStereo::BondDirection > &updown, std::map< OBBond *, OBStereo::Ref > &from)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::set< OBBond * > </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga63e739a42d88ac64ed77c07d73866a45">GetUnspecifiedCisTrans</a> (OBMol &mol)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga9b44683d071146220a97390283944f70">StereoRefToImplicit</a> (OBMol &mol, OBStereo::Ref atomId)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::vector< OBCisTransStereo * > </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#gac74fff254a639ede4d92a59fa44318a6">CisTransFrom0D</a> (OBMol *mol, const OBStereoUnitSet &stereoUnits, bool addToMol=true)</td></tr>
<tr><td colspan="2"><div class="groupHeader">Stereogenic unit identification</div></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">OBStereoUnitSet </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#gaebf264394d502844b99b1dbe031ea185">FindStereogenicUnits</a> (OBMol *mol, const std::vector< unsigned int > &symClasses)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">OBStereoUnitSet </td><td class="memItemRight" valign="bottom"><a class="el" href="group__stereo.shtml#ga0f62e73467d2059ad28d544633634862">FindStereogenicUnits</a> (OBMol *mol, const std::vector< unsigned int > &symClasses, const Automorphisms &automorphisms)</td></tr>
</table>
<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Process molecular stereochemistry information. </p>
</div></div>
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