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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
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<li class="navelem"><a class="el" href="namespaceOpenBabel.shtml">OpenBabel</a> </li>
<li class="navelem"><a class="el" href="classOpenBabel_1_1OBStereoBase.shtml">OBStereoBase</a> </li>
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<div class="summary">
<a href="#pub-methods">Public Member Functions</a> |
<a href="#pro-attribs">Protected Attributes</a> </div>
<div class="headertitle">
<div class="title">OBStereoBase Class Reference<div class="ingroups"><a class="el" href="group__stereo.shtml">Stereochemistry</a></div></div> </div>
</div>
<div class="contents">
<!-- doxytag: class="OpenBabel::OBStereoBase" --><!-- doxytag: inherits="OpenBabel::OBGenericData" -->
<p><code>#include <<a class="el" href="stereo_8h_source.shtml">openbabel/stereo/stereo.h</a>></code></p>
<div class="dynheader">
Inheritance diagram for OBStereoBase:</div>
<div class="dyncontent">
<div class="center"><img src="classOpenBabel_1_1OBStereoBase__inherit__graph.png" border="0" usemap="#OBStereoBase_inherit__map" alt="Inheritance graph"/></div>
<map name="OBStereoBase_inherit__map" id="OBStereoBase_inherit__map">
<area shape="rect" id="node5" href="classOpenBabel_1_1OBTetraNonPlanarStereo.shtml" title="Base class for handling and storing non-planar stereochemistry with 4 reference atom ids..." alt="" coords="5,160,197,189"/><area shape="rect" id="node9" href="classOpenBabel_1_1OBTetraPlanarStereo.shtml" title="Base class for handling and storing planar stereochemistry with 4 reference atoms." alt="" coords="221,160,387,189"/><area shape="rect" id="node2" href="classOpenBabel_1_1OBGenericData.shtml" title="Base class for generic data." alt="" coords="139,5,267,35"/><area shape="rect" id="node7" href="classOpenBabel_1_1OBTetrahedralStereo.shtml" title="Class for handling and storing tetrahedral atom stereochemistry." alt="" coords="19,237,184,267"/><area shape="rect" id="node11" href="classOpenBabel_1_1OBCisTransStereo.shtml" title="Class for handling and storing cis/trans stereochemistry." alt="" coords="220,237,364,267"/><area shape="rect" id="node13" href="classOpenBabel_1_1OBSquarePlanarStereo.shtml" title="Class for handling and storing square planar stereochemistry." alt="" coords="388,237,564,267"/></map>
<center><span class="legend">[<a href="graph_legend.shtml">legend</a>]</span></center></div>
<p><a href="classOpenBabel_1_1OBStereoBase-members.shtml">List of all members.</a></p>
<table class="memberdecls">
<tr><td colspan="2"><h2><a name="pub-methods"></a>
Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBStereoBase.shtml#a4e9716db658a2f725a214f4f23b6a68d">OBStereoBase</a> (<a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> *mol)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBStereoBase.shtml#af79f43b5cb6090d98dac9da71e083499">~OBStereoBase</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual <a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a67bda850335747e7ac5d66629bda0a67">Clone</a> (<a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> *) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#aae3d15983201a2a115701b2c538fef77">SetAttribute</a> (const std::string &v)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a45613e34598a9584fb0120ef3fdab9e0">SetOrigin</a> (const <a class="el" href="namespaceOpenBabel.shtml#a87d90c5296e904e126b8520e1daacc14">DataOrigin</a> s)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual const std::string & </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#ac72c28db8b5bb8911845ada56220a1e0">GetAttribute</a> () const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">unsigned int </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#ac20b99b31895c99422fb1244def6e213">GetDataType</a> () const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual const std::string & </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#ac9527475c246fadbbab63a35376fd5fe">GetValue</a> () const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual <a class="el" href="namespaceOpenBabel.shtml#a87d90c5296e904e126b8520e1daacc14">DataOrigin</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#ad080c58f230c474935ed3e27cb2ba906">GetOrigin</a> () const </td></tr>
<tr><td colspan="2"><div class="groupHeader">Geniric (for all OBStereo::Type) stereochemistry</div></td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBStereoBase.shtml#acd313cc12ec2b66926e4d0102042732a">GetMolecule</a> () const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a1d1cfd8ffb84e947f82999c682b666a7">OBStereo::Type</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBStereoBase.shtml#a6cf9ac8023da9840e4cb56d138431e45">GetType</a> () const =0</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBStereoBase.shtml#aa03f9b7e07be400ad77ba2306a2f1619">SetSpecified</a> (bool specified)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBStereoBase.shtml#a1a34764224cb3e3c4f1f84a4a3366617">IsSpecified</a> () const </td></tr>
<tr><td colspan="2"><h2><a name="pro-attribs"></a>
Protected Attributes</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#adceb77134f15418a66cf1124dcef1b51">_attr</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">unsigned int </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a31291823d487a4a47f24aae5870505ef">_type</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="namespaceOpenBabel.shtml#a87d90c5296e904e126b8520e1daacc14">DataOrigin</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a239606b62a534e4df7626ea0cfdfb856">_source</a></td></tr>
</table>
<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Base class for all stereochemistry classes. </p>
<p>All stereochemistry classes are derived from <a class="el" href="classOpenBabel_1_1OBStereoBase.shtml" title="Base class for all stereochemistry classes.">OBStereoBase</a>. This class inherits from <a class="el" href="classOpenBabel_1_1OBGenericData.shtml" title="Base class for generic data.">OBGenericData</a> which allows the objects to be stored in the molecule. The attribute (<a class="el" href="classOpenBabel_1_1OBGenericData.shtml#ac72c28db8b5bb8911845ada56220a1e0">OBGenericData::GetAttribute</a>) is set to "StereoData" and the data type is <a class="el" href="namespaceOpenBabel_1_1OBGenericDataType.shtml#a06fc87d81c62e9abb8790b6e5713c55ba3f9974bdbccde7c26064d7ec21d570ef" title="Stereochemistry data (see OBStereoBase)">OBGenericDataType::StereoData</a>. The pure virtual <a class="el" href="classOpenBabel_1_1OBStereoBase.shtml#a6cf9ac8023da9840e4cb56d138431e45">OBStereoBase::GetType</a> function must be implemented by derived classes to return a type defined in <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a1d1cfd8ffb84e947f82999c682b666a7">OBStereo::Type</a>.</p>
<p>Use the <a class="el" href="classOpenBabel_1_1OBStereoFacade.shtml" title="Facade to simplify retrieval of OBStereoBase derived objects.">OBStereoFacade</a> for easy access to the derived classes.</p>
<p><a class="el" href="classOpenBabel_1_1OBStereoBase.shtml" title="Base class for all stereochemistry classes.">OBStereoBase</a> keeps track of the <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> object. This must always be a valid (not 0 or deleted) pointer and can only be set using the constructor. Subclasses can use this to get more information on bonding for example. Finally, <a class="el" href="classOpenBabel_1_1OBStereoBase.shtml" title="Base class for all stereochemistry classes.">OBStereoBase</a> also keeps track of the specified flag. By default, this is always set to true.</p>
<dl class="see"><dt><b>See also:</b></dt><dd><a class="el" href="structOpenBabel_1_1OBStereo.shtml" title="Placeholder for enums & Ref/Refs related functions.">OBStereo</a> <a class="el" href="classOpenBabel_1_1OBStereoFacade.shtml" title="Facade to simplify retrieval of OBStereoBase derived objects.">OBStereoFacade</a> </dd></dl>
<dl class="since"><dt><b>Since:</b></dt><dd>version 2.3 </dd></dl>
</div><hr/><h2>Constructor & Destructor Documentation</h2>
<a class="anchor" id="a4e9716db658a2f725a214f4f23b6a68d"></a><!-- doxytag: member="OpenBabel::OBStereoBase::OBStereoBase" ref="a4e9716db658a2f725a214f4f23b6a68d" args="(OBMol *mol)" -->
<div class="memitem">
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<td class="memname"><a class="el" href="classOpenBabel_1_1OBStereoBase.shtml">OBStereoBase</a> </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> * </td>
<td class="paramname"><em>mol</em></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>Constructor. By default, the stereochemistry is specified. Use SetSpecified(false) for unspecified/unknown stereochemistry.</p>
<dl><dt><b>Parameters:</b></dt><dd>
<table class="params">
<tr><td class="paramname">mol</td><td>The molecule. </td></tr>
</table>
</dd>
</dl>
</div>
</div>
<a class="anchor" id="af79f43b5cb6090d98dac9da71e083499"></a><!-- doxytag: member="OpenBabel::OBStereoBase::~OBStereoBase" ref="af79f43b5cb6090d98dac9da71e083499" args="()" -->
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<td class="memname">virtual ~<a class="el" href="classOpenBabel_1_1OBStereoBase.shtml">OBStereoBase</a> </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [inline, virtual]</code></td>
</tr>
</table>
</div>
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<p>Destructor. </p>
</div>
</div>
<hr/><h2>Member Function Documentation</h2>
<a class="anchor" id="acd313cc12ec2b66926e4d0102042732a"></a><!-- doxytag: member="OpenBabel::OBStereoBase::GetMolecule" ref="acd313cc12ec2b66926e4d0102042732a" args="() const " -->
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<td class="memname"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a>* GetMolecule </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>Get the molecule. This can be used by subclasses when more information is needed (e.g. <a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#a407cfffec2530eb5bae418830e8e5f6c">OBCisTransStereo::GetCisRef</a>, ...). </p>
</div>
</div>
<a class="anchor" id="a6cf9ac8023da9840e4cb56d138431e45"></a><!-- doxytag: member="OpenBabel::OBStereoBase::GetType" ref="a6cf9ac8023da9840e4cb56d138431e45" args="() const =0" -->
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<td class="memname">virtual <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a1d1cfd8ffb84e947f82999c682b666a7">OBStereo::Type</a> GetType </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [pure virtual]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>Reimplemented by subclasses to return the type defined in <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a1d1cfd8ffb84e947f82999c682b666a7">OBStereo::Type</a>. </p>
<p>Implemented in <a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#a25d3547525ae04f2769c976552a55b34">OBCisTransStereo</a>, <a class="el" href="classOpenBabel_1_1OBTetrahedralStereo.shtml#a25d3547525ae04f2769c976552a55b34">OBTetrahedralStereo</a>, and <a class="el" href="classOpenBabel_1_1OBSquarePlanarStereo.shtml#a25d3547525ae04f2769c976552a55b34">OBSquarePlanarStereo</a>.</p>
</div>
</div>
<a class="anchor" id="aa03f9b7e07be400ad77ba2306a2f1619"></a><!-- doxytag: member="OpenBabel::OBStereoBase::SetSpecified" ref="aa03f9b7e07be400ad77ba2306a2f1619" args="(bool specified)" -->
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<td class="memname">void SetSpecified </td>
<td>(</td>
<td class="paramtype">bool </td>
<td class="paramname"><em>specified</em></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>Set whether the stereochemistry is specified. Comparing a specified <a class="el" href="classOpenBabel_1_1OBStereoBase.shtml" title="Base class for all stereochemistry classes.">OBStereoBase</a> derived class (or it's Config struct) with an unspecified one, always returns true. </p>
</div>
</div>
<a class="anchor" id="a1a34764224cb3e3c4f1f84a4a3366617"></a><!-- doxytag: member="OpenBabel::OBStereoBase::IsSpecified" ref="a1a34764224cb3e3c4f1f84a4a3366617" args="() const " -->
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<td class="memname">bool IsSpecified </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline]</code></td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>True if the stereochemistry is specified. </dd></dl>
</div>
</div>
<a class="anchor" id="a67bda850335747e7ac5d66629bda0a67"></a><!-- doxytag: member="OpenBabel::OBStereoBase::Clone" ref="a67bda850335747e7ac5d66629bda0a67" args="(OBBase *) const " -->
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<td class="memname">virtual <a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a>* Clone </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> * </td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline, virtual, inherited]</code></td>
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<p>Reimplemented in <a class="el" href="classOpenBabel_1_1OBMatrixData.shtml#a67bda850335747e7ac5d66629bda0a67">OBMatrixData</a>, <a class="el" href="classOpenBabel_1_1OBVectorData.shtml#a67bda850335747e7ac5d66629bda0a67">OBVectorData</a>, <a class="el" href="classOpenBabel_1_1OBRotationData.shtml#a67bda850335747e7ac5d66629bda0a67">OBRotationData</a>, <a class="el" href="classOpenBabel_1_1OBElectronicTransitionData.shtml#a67bda850335747e7ac5d66629bda0a67">OBElectronicTransitionData</a>, <a class="el" href="classOpenBabel_1_1OBOrbitalData.shtml#a67bda850335747e7ac5d66629bda0a67">OBOrbitalData</a>, <a class="el" href="classOpenBabel_1_1OBDOSData.shtml#a67bda850335747e7ac5d66629bda0a67">OBDOSData</a>, <a class="el" href="classOpenBabel_1_1OBVibrationData.shtml#a67bda850335747e7ac5d66629bda0a67">OBVibrationData</a>, <a class="el" href="classOpenBabel_1_1OBSerialNums.shtml#a67bda850335747e7ac5d66629bda0a67">OBSerialNums</a>, <a class="el" href="classOpenBabel_1_1OBChiralData.shtml#a67bda850335747e7ac5d66629bda0a67">OBChiralData</a>, <a class="el" href="classOpenBabel_1_1OBAngleData.shtml#a67bda850335747e7ac5d66629bda0a67">OBAngleData</a>, <a class="el" href="classOpenBabel_1_1OBTorsionData.shtml#a67bda850335747e7ac5d66629bda0a67">OBTorsionData</a>, <a class="el" href="classOpenBabel_1_1OBSymmetryData.shtml#a67bda850335747e7ac5d66629bda0a67">OBSymmetryData</a>, <a class="el" href="classOpenBabel_1_1OBConformerData.shtml#a67bda850335747e7ac5d66629bda0a67">OBConformerData</a>, <a class="el" href="classOpenBabel_1_1OBUnitCell.shtml#a67bda850335747e7ac5d66629bda0a67">OBUnitCell</a>, <a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#a74dbdaf4c0f5f8532781027653d3de2b">OBCisTransStereo</a>, <a class="el" href="classOpenBabel_1_1OBRingData.shtml#a67bda850335747e7ac5d66629bda0a67">OBRingData</a>, <a class="el" href="classOpenBabel_1_1OBTetrahedralStereo.shtml#a74dbdaf4c0f5f8532781027653d3de2b">OBTetrahedralStereo</a>, <a class="el" href="classOpenBabel_1_1OBVirtualBond.shtml#a67bda850335747e7ac5d66629bda0a67">OBVirtualBond</a>, <a class="el" href="classOpenBabel_1_1OBSquarePlanarStereo.shtml#a74dbdaf4c0f5f8532781027653d3de2b">OBSquarePlanarStereo</a>, <a class="el" href="classOpenBabel_1_1OBSetData.shtml#a67bda850335747e7ac5d66629bda0a67">OBSetData</a>, <a class="el" href="classOpenBabel_1_1OBNasaThermoData.shtml#af0b8e0b15297bc82b44b17c06f1e2020">OBNasaThermoData</a>, <a class="el" href="classOpenBabel_1_1OBPairData.shtml#a67bda850335747e7ac5d66629bda0a67">OBPairData</a>, <a class="el" href="classOpenBabel_1_1OBExternalBondData.shtml#a67bda850335747e7ac5d66629bda0a67">OBExternalBondData</a>, <a class="el" href="classOpenBabel_1_1OBRotamerList.shtml#a5361d45ced4133323de80d61ae5ecf05">OBRotamerList</a>, <a class="el" href="classOpenBabel_1_1AliasData.shtml#a67bda850335747e7ac5d66629bda0a67">AliasData</a>, <a class="el" href="classOpenBabel_1_1OBCommentData.shtml#a67bda850335747e7ac5d66629bda0a67">OBCommentData</a>, <a class="el" href="classOpenBabel_1_1OBAtomClassData.shtml#a67bda850335747e7ac5d66629bda0a67">OBAtomClassData</a>, and <a class="el" href="classOpenBabel_1_1OBRateData.shtml#af0b8e0b15297bc82b44b17c06f1e2020">OBRateData</a>.</p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBase.shtml#aa6f692332837387535e337413d0100de">OBBase::CloneData()</a>, <a class="el" href="classOpenBabel_1_1OBAtom.shtml#af2ee969f23433f548e39a909547869c7">OBAtom::Duplicate()</a>, <a class="el" href="classOpenBabel_1_1OBMoleculeFormat.shtml#ae40f23c84fd00ee442effa0c543a43c3">OBMoleculeFormat::MakeCombinedMolecule()</a>, and <a class="el" href="classOpenBabel_1_1OBMol.shtml#a9d63c24cbe9dc1f6e82d58da2b67dafa">OBMol::operator=()</a>.</p>
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<a class="anchor" id="aae3d15983201a2a115701b2c538fef77"></a><!-- doxytag: member="OpenBabel::OBStereoBase::SetAttribute" ref="aae3d15983201a2a115701b2c538fef77" args="(const std::string &v)" -->
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<td class="memname">void SetAttribute </td>
<td>(</td>
<td class="paramtype">const std::string & </td>
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<td><code> [inline, inherited]</code></td>
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<p>Set the attribute (key), which can be used to retrieve this data. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBGastChrg.shtml#a1c145997cdde372b0d870cabc0aede0a">OBGastChrg::AssignPartialCharges()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a6b78f4cdf91366de39994ade8edc9775">OBMol::DoTransformations()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a39a5ee36b2320d9191dac24acf90b03e">OBMol::FindLSSR()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad4e3eab0d027bd8e503d02e7261ca477">OBMol::FindSSSR()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#aa41fd7cce6a9cf2e56ca603de7fbc507">OBForceField::GetAtomTypes()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a7adc12bff502264eaebf537a5e28a43c">OBMol::GetFormula()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a762b79fd52bbaf0f4444f0308654dab1">OBMol::GetLSSR()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a06280807851159ac893d3391400861d3">OBForceField::GetPartialCharges()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a0f6bce457ef6f963b8e4ba7c4be23775">OBMol::GetSSSR()</a>, <a class="el" href="classOpenBabel_1_1OBDescriptor.shtml#a3a6e9ddee5b20a8911bc9f6e407d1abd">OBDescriptor::PredictAndSave()</a>, and <a class="el" href="classOpenBabel_1_1OBMol.shtml#a0a4b32a3135f26595bdd260539256c67">OBMol::SetFormula()</a>.</p>
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<a class="anchor" id="a45613e34598a9584fb0120ef3fdab9e0"></a><!-- doxytag: member="OpenBabel::OBStereoBase::SetOrigin" ref="a45613e34598a9584fb0120ef3fdab9e0" args="(const DataOrigin s)" -->
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<td class="memname">void SetOrigin </td>
<td>(</td>
<td class="paramtype">const <a class="el" href="namespaceOpenBabel.shtml#a87d90c5296e904e126b8520e1daacc14">DataOrigin</a> </td>
<td class="paramname"><em>s</em></td><td>)</td>
<td><code> [inline, inherited]</code></td>
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<p>Set the origin of this data, which can be used to filter the data. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBGastChrg.shtml#a1c145997cdde372b0d870cabc0aede0a">OBGastChrg::AssignPartialCharges()</a>, <a class="el" href="namespaceOpenBabel.shtml#ac8f591b34d70fd0063b836ddf6d8cdbc">OpenBabel::CalcSignedVolume()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a6b78f4cdf91366de39994ade8edc9775">OBMol::DoTransformations()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#abee51ea4be988357bb17c4e5fd3d7e12">OBMol::FindAngles()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a39a5ee36b2320d9191dac24acf90b03e">OBMol::FindLSSR()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad4e3eab0d027bd8e503d02e7261ca477">OBMol::FindSSSR()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a1ce9b09fb625faffaae648d7beae9598">OBMol::FindTorsions()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a7adc12bff502264eaebf537a5e28a43c">OBMol::GetFormula()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a762b79fd52bbaf0f4444f0308654dab1">OBMol::GetLSSR()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a0f6bce457ef6f963b8e4ba7c4be23775">OBMol::GetSSSR()</a>, <a class="el" href="classOpenBabel_1_1OBDescriptor.shtml#a3a6e9ddee5b20a8911bc9f6e407d1abd">OBDescriptor::PredictAndSave()</a>, and <a class="el" href="classOpenBabel_1_1OBMol.shtml#a0a4b32a3135f26595bdd260539256c67">OBMol::SetFormula()</a>.</p>
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<a class="anchor" id="ac72c28db8b5bb8911845ada56220a1e0"></a><!-- doxytag: member="OpenBabel::OBStereoBase::GetAttribute" ref="ac72c28db8b5bb8911845ada56220a1e0" args="() const " -->
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<td class="memname">virtual const std::string& GetAttribute </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline, virtual, inherited]</code></td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>The attribute (key), which can be used to retrieve this data </dd></dl>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBMoleculeFormat.shtml#ae40f23c84fd00ee442effa0c543a43c3">OBMoleculeFormat::MakeCombinedMolecule()</a>.</p>
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<a class="anchor" id="ac20b99b31895c99422fb1244def6e213"></a><!-- doxytag: member="OpenBabel::OBStereoBase::GetDataType" ref="ac20b99b31895c99422fb1244def6e213" args="() const " -->
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<td class="memname">unsigned int GetDataType </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline, inherited]</code></td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the data type for this object as defined in <a class="el" href="namespaceOpenBabel_1_1OBGenericDataType.shtml" title="Classification of data stored via OBGenericData class and subclasses.">OBGenericDataType</a> </dd></dl>
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<a class="anchor" id="ac9527475c246fadbbab63a35376fd5fe"></a><!-- doxytag: member="OpenBabel::OBStereoBase::GetValue" ref="ac9527475c246fadbbab63a35376fd5fe" args="() const " -->
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<td class="memname">virtual const std::string& GetValue </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline, virtual, inherited]</code></td>
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<p>Base class returns a default value (the attribute type) but should never be called. </p>
<p>Reimplemented in <a class="el" href="classOpenBabel_1_1OBPairData.shtml#ac9527475c246fadbbab63a35376fd5fe">OBPairData</a>, and <a class="el" href="classOpenBabel_1_1OBCommentData.shtml#ac9527475c246fadbbab63a35376fd5fe">OBCommentData</a>.</p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBDepict.shtml#a9ef29e99771a1932b2c28b34533a3e96">OBDepict::DrawMolecule()</a>, <a class="el" href="classOpenBabel_1_1OBDescriptor.shtml#a1d0907c6fab9cdb01ce11858eb5f0860">OBDescriptor::FilterCompare()</a>, and <a class="el" href="classOpenBabel_1_1OBDescriptor.shtml#a789fe3d5cae737f1caa28590fe29f460">OBDescriptor::GetValues()</a>.</p>
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<a class="anchor" id="ad080c58f230c474935ed3e27cb2ba906"></a><!-- doxytag: member="OpenBabel::OBStereoBase::GetOrigin" ref="ad080c58f230c474935ed3e27cb2ba906" args="() const " -->
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<td class="memname">virtual <a class="el" href="namespaceOpenBabel.shtml#a87d90c5296e904e126b8520e1daacc14">DataOrigin</a> GetOrigin </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline, virtual, inherited]</code></td>
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<hr/><h2>Member Data Documentation</h2>
<a class="anchor" id="adceb77134f15418a66cf1124dcef1b51"></a><!-- doxytag: member="OpenBabel::OBStereoBase::_attr" ref="adceb77134f15418a66cf1124dcef1b51" args="" -->
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<td class="memname">std::string <a class="el" href="classOpenBabel_1_1OBGenericData.shtml#adceb77134f15418a66cf1124dcef1b51">_attr</a><code> [protected, inherited]</code></td>
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<p>attribute tag (e.g., "UnitCell", "Comment" or "Author") </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBRotamerList.shtml#a5361d45ced4133323de80d61ae5ecf05">OBRotamerList::Clone()</a>, and <a class="el" href="classOpenBabel_1_1OBNasaThermoData.shtml#a8391a502a623c62101d104739f96ed01">OBNasaThermoData::OBNasaThermoData()</a>.</p>
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<a class="anchor" id="a31291823d487a4a47f24aae5870505ef"></a><!-- doxytag: member="OpenBabel::OBStereoBase::_type" ref="a31291823d487a4a47f24aae5870505ef" args="" -->
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<td class="memname">unsigned int <a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a31291823d487a4a47f24aae5870505ef">_type</a><code> [protected, inherited]</code></td>
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<p>attribute type -- declared for each subclass </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBRotamerList.shtml#a5361d45ced4133323de80d61ae5ecf05">OBRotamerList::Clone()</a>, and <a class="el" href="classOpenBabel_1_1OBNasaThermoData.shtml#a8391a502a623c62101d104739f96ed01">OBNasaThermoData::OBNasaThermoData()</a>.</p>
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<a class="anchor" id="a239606b62a534e4df7626ea0cfdfb856"></a><!-- doxytag: member="OpenBabel::OBStereoBase::_source" ref="a239606b62a534e4df7626ea0cfdfb856" args="" -->
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<td class="memname"><a class="el" href="namespaceOpenBabel.shtml#a87d90c5296e904e126b8520e1daacc14">DataOrigin</a> <a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a239606b62a534e4df7626ea0cfdfb856">_source</a><code> [protected, inherited]</code></td>
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<p>source of data for accounting </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBConformerData.shtml#a7c2db1828edcca7ff07c8591744ec3a4">OBConformerData::operator=()</a>, <a class="el" href="classOpenBabel_1_1OBSymmetryData.shtml#ae1e415e9a406f4965be7352a3c66fa3a">OBSymmetryData::operator=()</a>, <a class="el" href="classOpenBabel_1_1OBTorsionData.shtml#ab526e7eddb908b711e19aa355d133241">OBTorsionData::operator=()</a>, <a class="el" href="classOpenBabel_1_1OBAngleData.shtml#af0af03b552fac05db59787be08a443eb">OBAngleData::operator=()</a>, and <a class="el" href="classOpenBabel_1_1OBChiralData.shtml#a2d8a571296610389b9427aef139b1d8d">OBChiralData::operator=()</a>.</p>
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<hr/>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="stereo_8h_source.shtml">stereo.h</a></li>
</ul>
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