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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>
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<a href="#pub-methods">Public Member Functions</a> |
<a href="#pro-attribs">Protected Attributes</a> </div>
<div class="headertitle">
<div class="title">OBQuery Class Reference<div class="ingroups"><a class="el" href="group__substructure.shtml">Substructure Searching</a></div></div> </div>
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<!-- doxytag: class="OpenBabel::OBQuery" -->
<p><code>#include <<a class="el" href="query_8h_source.shtml">openbabel/query.h</a>></code></p>
<p><a href="classOpenBabel_1_1OBQuery-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_1OBQuery.shtml#a389be5417270db13420cb84e47e0ee18">~OBQuery</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_1OBQuery.shtml#a0c317a10161689c407f29a6fcacdb852">NumAtoms</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_1OBQuery.shtml#a115132ab8bd21607d00d61bc1ba5cc16">NumBonds</a> () const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const std::vector< <a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a> * > & </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBQuery.shtml#a5d698ccdc080cdf6237ce1d88fb6f1b2">GetAtoms</a> () const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const std::vector< <a class="el" href="classOpenBabel_1_1OBQueryBond.shtml">OBQueryBond</a> * > & </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBQuery.shtml#a422202b23ab4f29733dd013d75441b59">GetBonds</a> () const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="classOpenBabel_1_1OBQueryBond.shtml">OBQueryBond</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBQuery.shtml#a120a2b47d1f72cbf4e445ac63d8abfdf">GetBond</a> (<a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a> *begin, <a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a> *end) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBQuery.shtml#a3b2e350f82ce51a8ba52af162907529e">AddAtom</a> (<a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a> *atom)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBQuery.shtml#ac617b0afd430d9674c41faa179ee375c">AddBond</a> (<a class="el" href="classOpenBabel_1_1OBQueryBond.shtml">OBQueryBond</a> *bond)</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::vector< <a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a> * > </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBQuery.shtml#ad60d0800edfffd66821572b5ffcb5448">m_atoms</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::vector< <a class="el" href="classOpenBabel_1_1OBQueryBond.shtml">OBQueryBond</a> * > </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBQuery.shtml#aedc99f93df4bc475dec73bc04192eedc">m_bonds</a></td></tr>
</table>
<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>A substructure query. </p>
<p>See <a class="el" href="group__substructure.shtml">Substructure Search</a> for more information. </p>
<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="a389be5417270db13420cb84e47e0ee18"></a><!-- doxytag: member="OpenBabel::OBQuery::~OBQuery" ref="a389be5417270db13420cb84e47e0ee18" args="()" -->
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<td class="memname">~<a class="el" href="classOpenBabel_1_1OBQuery.shtml">OBQuery</a> </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
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<div class="memdoc">
</div>
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<hr/><h2>Member Function Documentation</h2>
<a class="anchor" id="a0c317a10161689c407f29a6fcacdb852"></a><!-- doxytag: member="OpenBabel::OBQuery::NumAtoms" ref="a0c317a10161689c407f29a6fcacdb852" args="() const " -->
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<div class="memproto">
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<td class="memname">unsigned int NumAtoms </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline]</code></td>
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</table>
</div>
<div class="memdoc">
<dl class="return"><dt><b>Returns:</b></dt><dd>The number of atoms in the query. </dd></dl>
</div>
</div>
<a class="anchor" id="a115132ab8bd21607d00d61bc1ba5cc16"></a><!-- doxytag: member="OpenBabel::OBQuery::NumBonds" ref="a115132ab8bd21607d00d61bc1ba5cc16" args="() const " -->
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<td class="memname">unsigned int NumBonds </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline]</code></td>
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</div>
<div class="memdoc">
<dl class="return"><dt><b>Returns:</b></dt><dd>The number of bonds in the query. </dd></dl>
</div>
</div>
<a class="anchor" id="a5d698ccdc080cdf6237ce1d88fb6f1b2"></a><!-- doxytag: member="OpenBabel::OBQuery::GetAtoms" ref="a5d698ccdc080cdf6237ce1d88fb6f1b2" args="() const " -->
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<td class="memname">const std::vector<<a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a>*>& GetAtoms </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<dl class="return"><dt><b>Returns:</b></dt><dd>std::vector with pointers to the query atoms. </dd></dl>
<p>Referenced by <a class="el" href="namespaceOpenBabel.shtml#abfb2d29563ee1a81f2e70a51d55c83cf">OpenBabel::CompileAutomorphismQuery()</a>, and <a class="el" href="group__substructure.shtml#ga9307ec0c55a4d2b7ee933b53a3a84ce5">OpenBabel::CompileMoleculeQuery()</a>.</p>
</div>
</div>
<a class="anchor" id="a422202b23ab4f29733dd013d75441b59"></a><!-- doxytag: member="OpenBabel::OBQuery::GetBonds" ref="a422202b23ab4f29733dd013d75441b59" args="() const " -->
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<td class="memname">const std::vector<<a class="el" href="classOpenBabel_1_1OBQueryBond.shtml">OBQueryBond</a>*>& GetBonds </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<dl class="return"><dt><b>Returns:</b></dt><dd>std::vector with pointers to the query bonds. </dd></dl>
</div>
</div>
<a class="anchor" id="a120a2b47d1f72cbf4e445ac63d8abfdf"></a><!-- doxytag: member="OpenBabel::OBQuery::GetBond" ref="a120a2b47d1f72cbf4e445ac63d8abfdf" args="(OBQueryAtom *begin, OBQueryAtom *end) const " -->
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<td class="memname"><a class="el" href="classOpenBabel_1_1OBQueryBond.shtml">OBQueryBond</a>* GetBond </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a> * </td>
<td class="paramname"><em>begin</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a> * </td>
<td class="paramname"><em>end</em> </td>
</tr>
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<td></td>
<td>)</td>
<td></td><td> const<code> [inline]</code></td>
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<div class="memdoc">
<dl class="return"><dt><b>Returns:</b></dt><dd>The query bond between <code>begin</code> and <code>end</code>. If there is no bond between <code>begin</code> and <code>end</code>, this function returns 0. </dd></dl>
</div>
</div>
<a class="anchor" id="a3b2e350f82ce51a8ba52af162907529e"></a><!-- doxytag: member="OpenBabel::OBQuery::AddAtom" ref="a3b2e350f82ce51a8ba52af162907529e" args="(OBQueryAtom *atom)" -->
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<td class="memname">void AddAtom </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a> * </td>
<td class="paramname"><em>atom</em></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
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<div class="memdoc">
<p>Add a query atom to the query. This function steals the pointer. </p>
<p>Referenced by <a class="el" href="namespaceOpenBabel.shtml#abfb2d29563ee1a81f2e70a51d55c83cf">OpenBabel::CompileAutomorphismQuery()</a>, and <a class="el" href="group__substructure.shtml#ga9307ec0c55a4d2b7ee933b53a3a84ce5">OpenBabel::CompileMoleculeQuery()</a>.</p>
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</div>
<a class="anchor" id="ac617b0afd430d9674c41faa179ee375c"></a><!-- doxytag: member="OpenBabel::OBQuery::AddBond" ref="ac617b0afd430d9674c41faa179ee375c" args="(OBQueryBond *bond)" -->
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<td class="memname">void AddBond </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBQueryBond.shtml">OBQueryBond</a> * </td>
<td class="paramname"><em>bond</em></td><td>)</td>
<td><code> [inline]</code></td>
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<div class="memdoc">
<p>Add a query atom to the query. This function steals the pointer. </p>
<p>Referenced by <a class="el" href="namespaceOpenBabel.shtml#abfb2d29563ee1a81f2e70a51d55c83cf">OpenBabel::CompileAutomorphismQuery()</a>, and <a class="el" href="group__substructure.shtml#ga9307ec0c55a4d2b7ee933b53a3a84ce5">OpenBabel::CompileMoleculeQuery()</a>.</p>
</div>
</div>
<hr/><h2>Member Data Documentation</h2>
<a class="anchor" id="ad60d0800edfffd66821572b5ffcb5448"></a><!-- doxytag: member="OpenBabel::OBQuery::m_atoms" ref="ad60d0800edfffd66821572b5ffcb5448" args="" -->
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<td class="memname">std::vector<<a class="el" href="classOpenBabel_1_1OBQueryAtom.shtml">OBQueryAtom</a>*> <a class="el" href="classOpenBabel_1_1OBQuery.shtml#ad60d0800edfffd66821572b5ffcb5448">m_atoms</a><code> [protected]</code></td>
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<div class="memdoc">
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</div>
<a class="anchor" id="aedc99f93df4bc475dec73bc04192eedc"></a><!-- doxytag: member="OpenBabel::OBQuery::m_bonds" ref="aedc99f93df4bc475dec73bc04192eedc" args="" -->
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<td class="memname">std::vector<<a class="el" href="classOpenBabel_1_1OBQueryBond.shtml">OBQueryBond</a>*> <a class="el" href="classOpenBabel_1_1OBQuery.shtml#aedc99f93df4bc475dec73bc04192eedc">m_bonds</a><code> [protected]</code></td>
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<hr/>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="query_8h_source.shtml">query.h</a></li>
</ul>
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