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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_1OBCisTransStereo.shtml">OBCisTransStereo</a> </li>
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<a href="#nested-classes">Classes</a> |
<a href="#pub-methods">Public Member Functions</a> |
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<a href="#pro-attribs">Protected Attributes</a> </div>
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<div class="title">OBCisTransStereo Class Reference<div class="ingroups"><a class="el" href="group__stereo.shtml">Stereochemistry</a></div></div> </div>
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<!-- doxytag: class="OpenBabel::OBCisTransStereo" --><!-- doxytag: inherits="OpenBabel::OBTetraPlanarStereo" -->
<p><code>#include <<a class="el" href="cistrans_8h_source.shtml">openbabel/stereo/cistrans.h</a>></code></p>
<div class="dynheader">
Inheritance diagram for OBCisTransStereo:</div>
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<div class="center"><img src="classOpenBabel_1_1OBCisTransStereo__inherit__graph.png" border="0" usemap="#OBCisTransStereo_inherit__map" alt="Inheritance graph"/></div>
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<area shape="rect" id="node2" href="classOpenBabel_1_1OBTetraPlanarStereo.shtml" title="Base class for handling and storing planar stereochemistry with 4 reference atoms." alt="" coords="5,83,171,112"/><area shape="rect" id="node4" href="classOpenBabel_1_1OBStereoBase.shtml" title="Base class for all stereochemistry classes." alt="" coords="27,5,149,35"/></map>
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<p><a href="classOpenBabel_1_1OBCisTransStereo-members.shtml">List of all members.</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">struct  </td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml">Config</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Stereochemical configuration for double-bond cis/trans stereochemistry. <a href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml#details">More...</a><br/></td></tr>
<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_1OBCisTransStereo.shtml#a9656f13082272afbce48d412f17ec3c5">OBCisTransStereo</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_1OBCisTransStereo.shtml#a7936fc6365e956026f2d544d9a2e46c8">~OBCisTransStereo</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#a74dbdaf4c0f5f8532781027653d3de2b">Clone</a> (<a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> *mol) 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">Cis/Trans stereochemistry</div></td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="structOpenBabel_1_1OBStereo.shtml#a1d1cfd8ffb84e947f82999c682b666a7">OBStereo::Type</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#a25d3547525ae04f2769c976552a55b34">GetType</a> () const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#afa8720abaf6972d6dac22a8cd1a67225">IsValid</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_1OBCisTransStereo.shtml#ad3a3a7b99c061bc1e1523aef57c8cf35">SetConfig</a> (const <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml">Config</a> &config)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml">Config</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#a7fdbb2f323900cb0fdeb1d1cbcb0a3fe">GetConfig</a> (<a class="el" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37c">OBStereo::Shape</a> shape=OBStereo::ShapeU) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml">Config</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#a09aa07aa424e8bd97a7f82f4a4febbe4">GetConfig</a> (unsigned long start, <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37c">OBStereo::Shape</a> shape=OBStereo::ShapeU) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#a4407203127f1b699f87c449ddeff3ab3">operator==</a> (const <a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml">OBCisTransStereo</a> &other) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#ac2d04819b59f3a4ec2c1505344dcd62c">operator!=</a> (const <a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml">OBCisTransStereo</a> &other) const </td></tr>
<tr><td colspan="2"><div class="groupHeader">Query methods to compare stereochemistry.</div></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#aa960b81facaa37baf0f4504d001c9549">IsOnSameAtom</a> (unsigned long id1, unsigned long id2) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#ab22bff18bdd19866c40258e1c6956186">IsTrans</a> (unsigned long id1, unsigned long id2) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#ae7a5da51c72f6c85ed7d32de403ee11e">IsCis</a> (unsigned long id1, unsigned long id2) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">unsigned long </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#a092a8f4dfd75b55616825922f4bdc2ad">GetTransRef</a> (unsigned long id) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">unsigned long </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml#a407cfffec2530eb5bae418830e8e5f6c">GetCisRef</a> (unsigned long id) 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">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="pub-static-methods"></a>
Static Public Member Functions</h2></td></tr>
<tr><td class="memTemplParams" colspan="2">template<typename ConfigType > </td></tr>
<tr><td class="memTemplItemLeft" align="right" valign="top">static ConfigType </td><td class="memTemplItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBTetraPlanarStereo.shtml#a2feb933d2ed497f473d610552e77d529">ToConfig</a> (const ConfigType &cfg, unsigned long start, <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37c">OBStereo::Shape</a> shape=OBStereo::ShapeU)</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>Class for handling and storing cis/trans stereochemistry. </p>
<div class="image">
<img src="cistrans.png" alt="cistrans.png"/>
</div>
<p>The <a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml" title="Class for handling and storing cis/trans stereochemistry.">OBCisTransStereo</a> class is used to represent cis/trans stereochemistry. Like all <a class="el" href="classOpenBabel_1_1OBTetraPlanarStereo.shtml" title="Base class for handling and storing planar stereochemistry with 4 reference atoms.">OBTetraPlanarStereo</a> subclasses, it uses the <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37c">OBStereo::Shape</a> parameters to set/get the <a class="el" href="structOpenBabel_1_1OBStereo.shtml#aff913cc7d694153b33e2b3ac168a6350">OBStereo::Ref</a> values in the <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> struct. However, since the orientation of the double bond matters, all methods in the "query methods" section check the bonding by actually checking the atoms in the molecule provided through OBStereoBase's constructor. If OBMol::GetAtomById(id) returns 0 for a single id, it will be considered a deleted or implicit hydrogen if the valences confirm this.</p>
<p>The use of <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37c">OBStereo::Shape</a> is illustarted in the image below. </p>
<div class="image">
<img src="SPshapes.png" alt="SPshapes.png"/>
</div>
<div class="fragment"><pre class="fragment"> <span class="comment">//</span>
<span class="comment">// 3 6 3 6</span>
<span class="comment">// \ / | |</span>
<span class="comment">// 0===1 = | 0 1 |</span>
<span class="comment">// / \ | |</span>
<span class="comment">// 4 5 4-------5</span>
<span class="comment">//</span>
<a class="code" href="classOpenBabel_1_1OBCisTransStereo.shtml#a9656f13082272afbce48d412f17ec3c5">OBCisTransStereo</a> ct;
ct.SetCenters(0, 1);
ct.SetRefs(<a class="code" href="structOpenBabel_1_1OBStereo.shtml#a677b4acc48f3ee3d31f35e20b62ea534">OBStereo::MakeRefs</a>(3, 4, 5, 6), <a class="code" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37ca0ab366e13e0cfd59ccb06cd77b673bca">OBStereo::ShapeU</a>);
ct.IsTrans(3, 5); <span class="comment">// true</span>
ct.IsTrans(3, 4); <span class="comment">// false</span>
ct.IsTrans(3, 6); <span class="comment">// false</span>
ct.IsCis(3, 6); <span class="comment">// true</span>
ct.IsCis(3, 4); <span class="comment">// false</span>
ct.IsCis(3, 5); <span class="comment">// false</span>
</pre></div><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="a9656f13082272afbce48d412f17ec3c5"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::OBCisTransStereo" ref="a9656f13082272afbce48d412f17ec3c5" args="(OBMol *mol)" -->
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<td class="memname"><a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml">OBCisTransStereo</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>
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<p>Constructor. </p>
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<a class="anchor" id="a7936fc6365e956026f2d544d9a2e46c8"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::~OBCisTransStereo" ref="a7936fc6365e956026f2d544d9a2e46c8" args="()" -->
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<td class="memname">virtual ~<a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml">OBCisTransStereo</a> </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [virtual]</code></td>
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<p>Destructor. </p>
</div>
</div>
<hr/><h2>Member Function Documentation</h2>
<a class="anchor" id="a25d3547525ae04f2769c976552a55b34"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::GetType" ref="a25d3547525ae04f2769c976552a55b34" args="() const " -->
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<td class="memname"><a class="el" href="structOpenBabel_1_1OBStereo.shtml#a1d1cfd8ffb84e947f82999c682b666a7">OBStereo::Type</a> GetType </td>
<td>(</td>
<td class="paramtype">void </td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline, virtual]</code></td>
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<p>Get the <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a1d1cfd8ffb84e947f82999c682b666a7">OBStereo::Type</a> for this object. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd><a class="el" href="structOpenBabel_1_1OBStereo.shtml#a1d1cfd8ffb84e947f82999c682b666a7abf2462b166f389c17adccf7a95941396" title="cis/trans double bond">OBStereo::CisTrans</a> </dd></dl>
<p>Implements <a class="el" href="classOpenBabel_1_1OBStereoBase.shtml#a6cf9ac8023da9840e4cb56d138431e45">OBStereoBase</a>.</p>
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<a class="anchor" id="afa8720abaf6972d6dac22a8cd1a67225"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::IsValid" ref="afa8720abaf6972d6dac22a8cd1a67225" args="() const " -->
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<td class="memname">bool IsValid </td>
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<td class="paramname"></td><td>)</td>
<td> const</td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>True if this object is valid. This object is valid if all these conditions are met:<ul>
<li><code>begin</code> != <a class="el" href="structOpenBabel_1_1OBStereo.shtml#aba01db17f4a2bfbc3db60dc172972a25a7295d9aeb6e0e6f3a5b77aa0ce7ed0db" title="No Ref set (invalid Ref)">OBStereo::NoRef</a></li>
<li><code>end</code> != <a class="el" href="structOpenBabel_1_1OBStereo.shtml#aba01db17f4a2bfbc3db60dc172972a25a7295d9aeb6e0e6f3a5b77aa0ce7ed0db" title="No Ref set (invalid Ref)">OBStereo::NoRef</a></li>
<li><code>refs</code> contains 4 elements </li>
</ul>
</dd></dl>
<p>Referenced by <a class="el" href="namespaceOpenBabel.shtml#a62d602f9ffb93ae1f37c2d3bbf010d77">OpenBabel::CanonicalLabels()</a>.</p>
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<a class="anchor" id="ad3a3a7b99c061bc1e1523aef57c8cf35"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::SetConfig" ref="ad3a3a7b99c061bc1e1523aef57c8cf35" args="(const Config &config)" -->
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<td class="memname">void SetConfig </td>
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<td class="paramtype">const <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml">Config</a> & </td>
<td class="paramname"><em>config</em></td><td>)</td>
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<p>Set the configuration using a <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> struct. </p>
<p>Referenced by <a class="el" href="namespaceOpenBabel.shtml#a62d602f9ffb93ae1f37c2d3bbf010d77">OpenBabel::CanonicalLabels()</a>.</p>
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<a class="anchor" id="a7fdbb2f323900cb0fdeb1d1cbcb0a3fe"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::GetConfig" ref="a7fdbb2f323900cb0fdeb1d1cbcb0a3fe" args="(OBStereo::Shape shape=OBStereo::ShapeU) const " -->
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<td class="memname"><a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml">Config</a> GetConfig </td>
<td>(</td>
<td class="paramtype"><a class="el" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37c">OBStereo::Shape</a> </td>
<td class="paramname"><em>shape</em> = <code>OBStereo::ShapeU</code></td><td>)</td>
<td> const</td>
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<p>Get the configuration as <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> struct. </p>
<p>Referenced by <a class="el" href="namespaceOpenBabel.shtml#a62d602f9ffb93ae1f37c2d3bbf010d77">OpenBabel::CanonicalLabels()</a>, and <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a6898b04c792072e4ace54885e9ff7b10">OBBuilder::CorrectStereoBonds()</a>.</p>
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<a class="anchor" id="a09aa07aa424e8bd97a7f82f4a4febbe4"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::GetConfig" ref="a09aa07aa424e8bd97a7f82f4a4febbe4" args="(unsigned long start, OBStereo::Shape shape=OBStereo::ShapeU) const " -->
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<td class="memname"><a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml">Config</a> GetConfig </td>
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<td class="paramtype">unsigned long </td>
<td class="paramname"><em>start</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37c">OBStereo::Shape</a> </td>
<td class="paramname"><em>shape</em> = <code>OBStereo::ShapeU</code> </td>
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<p>Get the configuration as <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> struct and ensure refs[0] is equal to <code>start</code>. </p>
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<td class="memname">bool operator== </td>
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<td class="paramname"><em>other</em></td><td>)</td>
<td> const</td>
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<p>Compare the stereochemistry stored in the <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> struct with the stereochemistry specified in the <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> struct from <code>other</code>.</p>
<p>Equal to operator. Comparing <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">OBCisTransStereo::Config</a> structs is done using the information stored in the struct's data members (i.e. begin, end, refs and shape).</p>
<p>There are a number of cases resuling in false being returned:</p>
<ul>
<li><code>begin</code> and <code>end</code> don't match (is checked using the 2 combinations)</li>
<li>One of the Refs lists does not contain 4 elements.</li>
<li>2 or more <a class="el" href="structOpenBabel_1_1OBStereo.shtml#aba01db17f4a2bfbc3db60dc172972a25a02b1798105615b9c057d777fd19f1015" title="Implicit Ref (i.e. hydrogen, N lone pair, ...).">OBStereo::ImplicitRef</a> values in a single <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> struct</li>
<li>(The two <code>refs</code> don't share a single common element)</li>
</ul>
<p>In the simplest case where both <code>refs</code> contain exactly the same elements (<a class="el" href="structOpenBabel_1_1OBStereo.shtml#abb14ec41d65b0dc4d49707a713da483f">OBStereo::ContainsSameRefs()</a>), coould include <a class="el" href="structOpenBabel_1_1OBStereo.shtml#aba01db17f4a2bfbc3db60dc172972a25a02b1798105615b9c057d777fd19f1015" title="Implicit Ref (i.e. hydrogen, N lone pair, ...).">OBStereo::ImplicitRef</a>), both <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> struct are normalized to <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37ca0ab366e13e0cfd59ccb06cd77b673bca">OBStereo::ShapeU</a> starting with the same element. After this normalization, there are two possible orientations to overlay the shape on the double bond. From the illustration below, it can be seen only <code>refs</code>[2] has to be checked in order to conclude both <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> structs have the same stereochemistry.</p>
<div class="fragment"><pre class="fragment">
1 4 1 4 1------4
\ / | | |
C==C | | |
/ \ | | |
2 3 2------3 2------3
1 2 3 4 1 2 3 4
| | | | <- in any case, refs[0] & refs[2] remain unchanged
1 2 3 4 1 4 3 2
</pre></div><p>When comparing a <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> struct with explicit hydrogen(s) to one with implicit hydrogen(s), both <code>refs</code> are also normalized to <a class="el" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37ca0ab366e13e0cfd59ccb06cd77b673bca">OBStereo::ShapeU</a> starting with the same common element. This shared element cannot be <a class="el" href="structOpenBabel_1_1OBStereo.shtml#aba01db17f4a2bfbc3db60dc172972a25a02b1798105615b9c057d777fd19f1015" title="Implicit Ref (i.e. hydrogen, N lone pair, ...).">OBStereo::ImplicitRef</a>. Depending on the position of the <a class="el" href="structOpenBabel_1_1OBStereo.shtml#aba01db17f4a2bfbc3db60dc172972a25a02b1798105615b9c057d777fd19f1015" title="Implicit Ref (i.e. hydrogen, N lone pair, ...).">OBStereo::ImplicitRef</a> element(s) in the <code>refs</code>, 3 cases are possible:</p>
<div class="fragment"><pre class="fragment">
refs[2] != OBStereo::ImplicitId:
(analog to the case above where they contained the same elements )
1 2 3 4
| | <- refs[0] & refs[2] remain unchanged
1 H 3 H
else:
1 2 3 4
| | <- refs[0] & refs[3] remain unchanged
1 H H 4
1 2 3 4
| | <- refs[0] & refs[1] remain unchanged
1 2 H H
</pre></div><p>In each case, the orientation of the U shape is also defined since there can be only one <a class="el" href="structOpenBabel_1_1OBStereo.shtml#aba01db17f4a2bfbc3db60dc172972a25a02b1798105615b9c057d777fd19f1015" title="Implicit Ref (i.e. hydrogen, N lone pair, ...).">OBStereo::ImplicitRef</a> for each side of the double bond.</p>
<dl class="return"><dt><b>Returns:</b></dt><dd>True if both <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> structs represent the stereochemistry. </dd></dl>
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<td class="memname">bool operator!= </td>
<td>(</td>
<td class="paramtype">const <a class="el" href="classOpenBabel_1_1OBCisTransStereo.shtml">OBCisTransStereo</a> & </td>
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<p>Not equal to operator. This is the inverse of the Equal to operator==.</p>
<dl class="return"><dt><b>Returns:</b></dt><dd>True if the two <a class="el" href="structOpenBabel_1_1OBCisTransStereo_1_1Config.shtml" title="Stereochemical configuration for double-bond cis/trans stereochemistry.">Config</a> structs represent a different stereochemistry. </dd></dl>
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<a class="anchor" id="a74dbdaf4c0f5f8532781027653d3de2b"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::Clone" ref="a74dbdaf4c0f5f8532781027653d3de2b" args="(OBBase *mol) const " -->
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<td class="memname"><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a>* Clone </td>
<td>(</td>
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<td class="paramname"><em>mol</em></td><td>)</td>
<td> const<code> [virtual]</code></td>
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<p>Reimplemented from <a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a67bda850335747e7ac5d66629bda0a67">OBGenericData</a>.</p>
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<td class="paramtype">unsigned long </td>
<td class="paramname"><em>id1</em>, </td>
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<td class="paramtype">unsigned long </td>
<td class="paramname"><em>id2</em> </td>
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<p>Check if the two atoms for <code>id1</code> & <code>id2</code> are bonded to the same atom. If the atoms for one of the atoms doesn't exist (anymore), the valence of the begin and end atom is checked. If the exising atom is bonded to the begin atom and end->GetValence() == 2, the ids are considered to be on different atoms. The reasoning behind this is that hydrogens may be deleted. However, you can also use <a class="el" href="structOpenBabel_1_1OBStereo.shtml#aba01db17f4a2bfbc3db60dc172972a25a02b1798105615b9c057d777fd19f1015" title="Implicit Ref (i.e. hydrogen, N lone pair, ...).">OBStereo::ImplicitRef</a> explicitly in code like:</p>
<div class="fragment"><pre class="fragment"> <span class="comment">//</span>
<span class="comment">// F F F F 0 3</span>
<span class="comment">// \ / | | | |</span>
<span class="comment">// C===C | C C | | 1 2 |</span>
<span class="comment">// / \ | | | |</span>
<span class="comment">// (H) (H) (H)----(H) H------H</span>
<span class="comment">//</span>
reading smiles F/<a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da739ce3f516592d245d16fd8a3893472c">C</a>=C\F cis-difluorethene
<a class="code" href="classOpenBabel_1_1OBCisTransStereo.shtml#a9656f13082272afbce48d412f17ec3c5">OBCisTransStereo</a> ct(mol);
ct.SetCenters(1, 2);
ct.SetRefs(<a class="code" href="structOpenBabel_1_1OBStereo.shtml#a677b4acc48f3ee3d31f35e20b62ea534">OBStereo::MakeRefs</a>(0, <a class="code" href="structOpenBabel_1_1OBStereo.shtml#aba01db17f4a2bfbc3db60dc172972a25a02b1798105615b9c057d777fd19f1015" title="Implicit Ref (i.e. hydrogen, N lone pair, ...).">OBStereo::ImplicitRef</a>, <a class="code" href="structOpenBabel_1_1OBStereo.shtml#aba01db17f4a2bfbc3db60dc172972a25a02b1798105615b9c057d777fd19f1015" title="Implicit Ref (i.e. hydrogen, N lone pair, ...).">OBStereo::ImplicitRef</a>, 3));
...
</pre></div><dl class="return"><dt><b>Returns:</b></dt><dd>True if <code>id1</code> and <code>id2</code> are bonded to the same atom taking implicit hydrogens into account. </dd></dl>
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<td class="paramkey"></td>
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<td class="paramtype">unsigned long </td>
<td class="paramname"><em>id2</em> </td>
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<td></td>
<td>)</td>
<td></td><td> const</td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>True if the two reference ids are placed trans configuration. </dd></dl>
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<a class="anchor" id="ae7a5da51c72f6c85ed7d32de403ee11e"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::IsCis" ref="ae7a5da51c72f6c85ed7d32de403ee11e" args="(unsigned long id1, unsigned long id2) const " -->
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<td class="memname">bool IsCis </td>
<td>(</td>
<td class="paramtype">unsigned long </td>
<td class="paramname"><em>id1</em>, </td>
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<td class="paramtype">unsigned long </td>
<td class="paramname"><em>id2</em> </td>
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<td>)</td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>True if the two reference ids are placed in a cis configuration. </dd></dl>
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<a class="anchor" id="a092a8f4dfd75b55616825922f4bdc2ad"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::GetTransRef" ref="a092a8f4dfd75b55616825922f4bdc2ad" args="(unsigned long id) const " -->
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<td class="memname">unsigned long GetTransRef </td>
<td>(</td>
<td class="paramtype">unsigned long </td>
<td class="paramname"><em>id</em></td><td>)</td>
<td> const</td>
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<p> Get the reference id trans from reference <code>id</code>. </p>
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<a class="anchor" id="a407cfffec2530eb5bae418830e8e5f6c"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::GetCisRef" ref="a407cfffec2530eb5bae418830e8e5f6c" args="(unsigned long id) const " -->
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<td class="memname">unsigned long GetCisRef </td>
<td>(</td>
<td class="paramtype">unsigned long </td>
<td class="paramname"><em>id</em></td><td>)</td>
<td> const</td>
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<p> Get the reference id cis from reference <code>id</code>. </p>
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<a class="anchor" id="a2feb933d2ed497f473d610552e77d529"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::ToConfig" ref="a2feb933d2ed497f473d610552e77d529" args="(const ConfigType &cfg, unsigned long start, OBStereo::Shape shape=OBStereo::ShapeU)" -->
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<td class="memname">static ConfigType ToConfig </td>
<td>(</td>
<td class="paramtype">const ConfigType & </td>
<td class="paramname"><em>cfg</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">unsigned long </td>
<td class="paramname"><em>start</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="structOpenBabel_1_1OBStereo.shtml#a55b506070847a13554f8b879c1bfb37c">OBStereo::Shape</a> </td>
<td class="paramname"><em>shape</em> = <code>OBStereo::ShapeU</code> </td>
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<td></td>
<td>)</td>
<td></td><td><code> [inline, static, inherited]</code></td>
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<a class="anchor" id="acd313cc12ec2b66926e4d0102042732a"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::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, inherited]</code></td>
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<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>
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<a class="anchor" id="aa03f9b7e07be400ad77ba2306a2f1619"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::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, inherited]</code></td>
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<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>
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<td class="memname">bool IsSpecified </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>True if the stereochemistry is specified. </dd></dl>
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<a class="anchor" id="aae3d15983201a2a115701b2c538fef77"></a><!-- doxytag: member="OpenBabel::OBCisTransStereo::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>
<td class="paramname"><em>v</em></td><td>)</td>
<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::OBCisTransStereo::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::OBCisTransStereo::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::OBCisTransStereo::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::OBCisTransStereo::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::OBCisTransStereo::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::OBCisTransStereo::_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::OBCisTransStereo::_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::OBCisTransStereo::_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="cistrans_8h_source.shtml">cistrans.h</a></li>
</ul>
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