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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="classOpenBabel_1_1OBRingSearch.shtml">OBRingSearch</a> </li>
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<a href="#pub-methods">Public Member Functions</a> </div>
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<div class="title">OBRingSearch Class Reference</div> </div>
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<!-- doxytag: class="OpenBabel::OBRingSearch" -->
<p><code>#include <<a class="el" href="ring_8h_source.shtml">openbabel/ring.h</a>></code></p>
<p><a href="classOpenBabel_1_1OBRingSearch-members.shtml">List of all members.</a></p>
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<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_1OBRingSearch.shtml#af1211b4680e59ac34a16593ddcdb2761">OBRingSearch</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRingSearch.shtml#a822227d05e90c205e5f2a2a75b313c62">~OBRingSearch</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRingSearch.shtml#acd7836d1e4e1ab6fbd3faa49403e5503">SortRings</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRingSearch.shtml#a5e60e6aac8c448ba3216236693e6f28a">RemoveRedundant</a> (int)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRingSearch.shtml#aa1396dc4c11207285a8711b28a1292e0">AddRingFromClosure</a> (<a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> &, <a class="el" href="classOpenBabel_1_1OBBond.shtml">OBBond</a> *)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRingSearch.shtml#aba61821d4c16605d56801906db2d0661">SaveUniqueRing</a> (std::deque< int > &, std::deque< int > &)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRingSearch.shtml#a3a5de536030e126350d4b93651f3e07c">WriteRings</a> ()</td></tr>
<tr><td colspan="2"><div class="groupHeader">Iterator methods -- see OBMolRingIter for iteration over a molecule</div></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::vector< <a class="el" href="classOpenBabel_1_1OBRing.shtml">OBRing</a> * >::iterator </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRingSearch.shtml#aa1a05257821a8156625beabb7dd58e0b">BeginRings</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::vector< <a class="el" href="classOpenBabel_1_1OBRing.shtml">OBRing</a> * >::iterator </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRingSearch.shtml#a07ad405727c652a6a280d821b9d1ac47">EndRings</a> ()</td></tr>
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<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Internal class to facilitate <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad4e3eab0d027bd8e503d02e7261ca477" title="Find Smallest Set of Smallest Rings (see OBRing class for more details)">OBMol::FindSSSR()</a> </p>
</div><hr/><h2>Constructor & Destructor Documentation</h2>
<a class="anchor" id="af1211b4680e59ac34a16593ddcdb2761"></a><!-- doxytag: member="OpenBabel::OBRingSearch::OBRingSearch" ref="af1211b4680e59ac34a16593ddcdb2761" args="()" -->
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<td class="memname"><a class="el" href="classOpenBabel_1_1OBRingSearch.shtml">OBRingSearch</a> </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
</div>
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<a class="anchor" id="a822227d05e90c205e5f2a2a75b313c62"></a><!-- doxytag: member="OpenBabel::OBRingSearch::~OBRingSearch" ref="a822227d05e90c205e5f2a2a75b313c62" args="()" -->
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<td class="memname">~<a class="el" href="classOpenBabel_1_1OBRingSearch.shtml">OBRingSearch</a> </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td></td>
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<p>Destructor -- free all rings created from this search. </p>
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<hr/><h2>Member Function Documentation</h2>
<a class="anchor" id="acd7836d1e4e1ab6fbd3faa49403e5503"></a><!-- doxytag: member="OpenBabel::OBRingSearch::SortRings" ref="acd7836d1e4e1ab6fbd3faa49403e5503" args="()" -->
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<td class="memname">void SortRings </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
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<p>Sort ring sizes from smallest to largest. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBMol.shtml#a39a5ee36b2320d9191dac24acf90b03e">OBMol::FindLSSR()</a>, and <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad4e3eab0d027bd8e503d02e7261ca477">OBMol::FindSSSR()</a>.</p>
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<a class="anchor" id="a5e60e6aac8c448ba3216236693e6f28a"></a><!-- doxytag: member="OpenBabel::OBRingSearch::RemoveRedundant" ref="a5e60e6aac8c448ba3216236693e6f28a" args="(int)" -->
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<td class="memname">void RemoveRedundant </td>
<td>(</td>
<td class="paramtype">int </td>
<td class="paramname"><em>frj</em></td><td>)</td>
<td></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>Starting with a full ring set - reduce to SSSR set. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBMol.shtml#a39a5ee36b2320d9191dac24acf90b03e">OBMol::FindLSSR()</a>, and <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad4e3eab0d027bd8e503d02e7261ca477">OBMol::FindSSSR()</a>.</p>
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<a class="anchor" id="aa1396dc4c11207285a8711b28a1292e0"></a><!-- doxytag: member="OpenBabel::OBRingSearch::AddRingFromClosure" ref="aa1396dc4c11207285a8711b28a1292e0" args="(OBMol &, OBBond *)" -->
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<td class="memname">void AddRingFromClosure </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> & </td>
<td class="paramname"><em>mol</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBBond.shtml">OBBond</a> * </td>
<td class="paramname"><em>cbond</em> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td></td>
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<div class="memdoc">
<p>Add a new ring from a "closure" bond: See <a class="el" href="classOpenBabel_1_1OBBond.shtml#ab91f9d866c216bcb3ffc5aa0774b5177">OBBond::IsClosure()</a> </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBMol.shtml#a39a5ee36b2320d9191dac24acf90b03e">OBMol::FindLSSR()</a>, and <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad4e3eab0d027bd8e503d02e7261ca477">OBMol::FindSSSR()</a>.</p>
</div>
</div>
<a class="anchor" id="aba61821d4c16605d56801906db2d0661"></a><!-- doxytag: member="OpenBabel::OBRingSearch::SaveUniqueRing" ref="aba61821d4c16605d56801906db2d0661" args="(std::deque< int > &, std::deque< int > &)" -->
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<td class="memname">bool SaveUniqueRing </td>
<td>(</td>
<td class="paramtype">std::deque< int > & </td>
<td class="paramname"><em>d1</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">std::deque< int > & </td>
<td class="paramname"><em>d2</em> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td></td>
</tr>
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<div class="memdoc">
</div>
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<a class="anchor" id="a3a5de536030e126350d4b93651f3e07c"></a><!-- doxytag: member="OpenBabel::OBRingSearch::WriteRings" ref="a3a5de536030e126350d4b93651f3e07c" args="()" -->
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<td class="memname">void WriteRings </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td></td>
</tr>
</table>
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<div class="memdoc">
<p>For debugging only, write the rings to std::cout. </p>
</div>
</div>
<a class="anchor" id="aa1a05257821a8156625beabb7dd58e0b"></a><!-- doxytag: member="OpenBabel::OBRingSearch::BeginRings" ref="aa1a05257821a8156625beabb7dd58e0b" args="()" -->
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<td class="memname">std::vector<<a class="el" href="classOpenBabel_1_1OBRing.shtml">OBRing</a>*>::iterator BeginRings </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<dl class="return"><dt><b>Returns:</b></dt><dd>an iterator pointing to the beginning of the list of rings </dd></dl>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBMol.shtml#a39a5ee36b2320d9191dac24acf90b03e">OBMol::FindLSSR()</a>, and <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad4e3eab0d027bd8e503d02e7261ca477">OBMol::FindSSSR()</a>.</p>
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<a class="anchor" id="a07ad405727c652a6a280d821b9d1ac47"></a><!-- doxytag: member="OpenBabel::OBRingSearch::EndRings" ref="a07ad405727c652a6a280d821b9d1ac47" args="()" -->
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<td class="memname">std::vector<<a class="el" href="classOpenBabel_1_1OBRing.shtml">OBRing</a>*>::iterator EndRings </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<dl class="return"><dt><b>Returns:</b></dt><dd>an iterator pointing to the end of the list of rings </dd></dl>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBMol.shtml#a39a5ee36b2320d9191dac24acf90b03e">OBMol::FindLSSR()</a>, and <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad4e3eab0d027bd8e503d02e7261ca477">OBMol::FindSSSR()</a>.</p>
</div>
</div>
<hr/>The documentation for this class was generated from the following files:<ul>
<li><a class="el" href="ring_8h_source.shtml">ring.h</a></li>
<li><a class="el" href="ring_8cpp.shtml">ring.cpp</a></li>
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