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<title>The Gnome Chemistry Utils: gcu::Cycle Class Reference</title>
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<div class="navpath"><a class="el" href="namespacegcu.html">gcu</a>::<a class="el" href="classgcu_1_1Cycle.html">Cycle</a>
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<h1>gcu::Cycle Class Reference</h1><!-- doxytag: class="gcu::Cycle" --><!-- doxytag: inherits="gcu::Chain" -->
<p><code>#include <<a class="el" href="cycle_8h_source.html">gcu/cycle.h</a>></code></p>
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Inheritance diagram for gcu::Cycle:</div>
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<img src="classgcu_1_1Cycle.gif" usemap="#gcu::Cycle_map" alt=""/>
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<area href="classgcu_1_1Chain.html" alt="gcu::Chain" shape="rect" coords="0,56,76,80"/>
<area href="classgcu_1_1Object.html" alt="gcu::Object" shape="rect" coords="0,0,76,24"/>
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<p><a href="classgcu_1_1Cycle-members.html">List of all members.</a></p>
<table border="0" cellpadding="0" cellspacing="0">
<tr><td colspan="2"><h2>Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Cycle.html#adf54a871965c0b403d9a62f744c6521a">Cycle</a> (<a class="el" href="classgcu_1_1Molecule.html">Molecule</a> *molecule)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Cycle.html#a90cc75eca0ed199e48c1a3b76862e630">~Cycle</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Cycle.html#a9236172721d10f33fa6a5ebe83efc9e2">Simplify</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Cycle.html#a55e6be78f330b5c3d650b2df4c122b92">Erase</a> (<a class="el" href="classgcu_1_1Atom.html">Atom</a> *pAtom1, <a class="el" href="classgcu_1_1Atom.html">Atom</a> *pAtom2)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Cycle.html#a73097fdcd8b726ec27b904fce91523ca">Insert</a> (<a class="el" href="classgcu_1_1Atom.html">Atom</a> *pAtom1, <a class="el" href="classgcu_1_1Atom.html">Atom</a> *pAtom2, <a class="el" href="classgcu_1_1Chain.html">Chain</a> &chain)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Cycle.html#a63fafccd7a5d4e57cd4262f28c1b4fad">IsBetterForBonds</a> (<a class="el" href="classgcu_1_1Cycle.html">Cycle</a> *pCycle)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Cycle.html#a864a46e6777925334a6768977daa7d76">GetAngles2D</a> (<a class="el" href="classgcu_1_1Bond.html">Bond</a> *pBond, double *a1, double *a2)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Cycle.html#ae3adb1e3ae0159ac521ec44d7d5430ea">GetFusedBonds</a> ()</td></tr>
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<hr/><a name="_details"></a><h2>Detailed Description</h2>
<p>Represents a cycle. </p>
<p>Definition at line <a class="el" href="cycle_8h_source.html#l00036">36</a> of file <a class="el" href="cycle_8h_source.html">cycle.h</a>.</p>
<hr/><h2>Constructor & Destructor Documentation</h2>
<a class="anchor" id="adf54a871965c0b403d9a62f744c6521a"></a><!-- doxytag: member="gcu::Cycle::Cycle" ref="adf54a871965c0b403d9a62f744c6521a" args="(Molecule *molecule)" -->
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<td class="memname">gcu::Cycle::Cycle </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcu_1_1Molecule.html">Molecule</a> * </td>
<td class="paramname"> <em>molecule</em></td>
<td> ) </td>
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<dl><dt><b>Parameters:</b></dt><dd>
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<tr><td valign="top"></td><td valign="top"><em>molecule</em> </td><td>a molecule.</td></tr>
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</dd>
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<p>Constructs an initially empty cycle for the molecule. </p>
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<a class="anchor" id="a90cc75eca0ed199e48c1a3b76862e630"></a><!-- doxytag: member="gcu::Cycle::~Cycle" ref="a90cc75eca0ed199e48c1a3b76862e630" args="()" -->
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<td class="memname">virtual gcu::Cycle::~Cycle </td>
<td>(</td>
<td class="paramname"></td>
<td> ) </td>
<td><code> [virtual]</code></td>
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<p>The destructor. </p>
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<hr/><h2>Member Function Documentation</h2>
<a class="anchor" id="a55e6be78f330b5c3d650b2df4c122b92"></a><!-- doxytag: member="gcu::Cycle::Erase" ref="a55e6be78f330b5c3d650b2df4c122b92" args="(Atom *pAtom1, Atom *pAtom2)" -->
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<td class="memname">virtual void gcu::Cycle::Erase </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcu_1_1Atom.html">Atom</a> * </td>
<td class="paramname"> <em>pAtom1</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classgcu_1_1Atom.html">Atom</a> * </td>
<td class="paramname"> <em>pAtom2</em></td><td> </td>
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<td>)</td>
<td></td><td></td><td><code> [virtual]</code></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>pAtom1</em> </td><td>an atom in the source chain. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>pAtom2</em> </td><td>an atom in the source chain.</td></tr>
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</dd>
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<p>Erases a sub-chain. The result is not a cycle. This should be followed by the insertion of a new chain to close the cycle again. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Chain.html#a3449a637c0e60112b22f90b6fa95b4b9">gcu::Chain</a>.</p>
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<a class="anchor" id="a864a46e6777925334a6768977daa7d76"></a><!-- doxytag: member="gcu::Cycle::GetAngles2D" ref="a864a46e6777925334a6768977daa7d76" args="(Bond *pBond, double *a1, double *a2)" -->
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<td class="memname">void gcu::Cycle::GetAngles2D </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcu_1_1Bond.html">Bond</a> * </td>
<td class="paramname"> <em>pBond</em>, </td>
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<td class="paramtype">double * </td>
<td class="paramname"> <em>a1</em>, </td>
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<td class="paramtype">double * </td>
<td class="paramname"> <em>a2</em></td><td> </td>
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<td>)</td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>pBond</em> </td><td>a bond of the cycle. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>a1</em> </td><td>where to put the result for the first angle. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>a2</em> </td><td>where to put the result for the first angle.</td></tr>
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<p>Evaluates the angles between the bond and its two adjacent bonds in the cycle. </p>
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<a class="anchor" id="ae3adb1e3ae0159ac521ec44d7d5430ea"></a><!-- doxytag: member="gcu::Cycle::GetFusedBonds" ref="ae3adb1e3ae0159ac521ec44d7d5430ea" args="()" -->
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<td class="memname">int gcu::Cycle::GetFusedBonds </td>
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<td> ) </td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the number of bonds shared with other cycles. </dd></dl>
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<a class="anchor" id="a73097fdcd8b726ec27b904fce91523ca"></a><!-- doxytag: member="gcu::Cycle::Insert" ref="a73097fdcd8b726ec27b904fce91523ca" args="(Atom *pAtom1, Atom *pAtom2, Chain &chain)" -->
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<td class="memname">virtual void gcu::Cycle::Insert </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcu_1_1Atom.html">Atom</a> * </td>
<td class="paramname"> <em>pAtom1</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classgcu_1_1Atom.html">Atom</a> * </td>
<td class="paramname"> <em>pAtom2</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classgcu_1_1Chain.html">Chain</a> & </td>
<td class="paramname"> <em>chain</em></td><td> </td>
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<td>)</td>
<td></td><td></td><td><code> [virtual]</code></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>pAtom1</em> </td><td>an atom in the source chain. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>pAtom2</em> </td><td>an atom in the source chain. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>chain</em> </td><td>the source chain.</td></tr>
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</dd>
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<p>Inserts a chain. Bothe atoms must already be in the target cycle and the insertion should close the cycle. </p>
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<a class="anchor" id="a63fafccd7a5d4e57cd4262f28c1b4fad"></a><!-- doxytag: member="gcu::Cycle::IsBetterForBonds" ref="a63fafccd7a5d4e57cd4262f28c1b4fad" args="(Cycle *pCycle)" -->
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<td class="memname">bool gcu::Cycle::IsBetterForBonds </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcu_1_1Cycle.html">Cycle</a> * </td>
<td class="paramname"> <em>pCycle</em></td>
<td> ) </td>
<td></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>pCycle</em> </td><td>another cycle sharing a bond.</td></tr>
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</dd>
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<p>Compares two cycles in competition to know which is the best to contain the second line of a shared double bond.</p>
<dl class="return"><dt><b>Returns:</b></dt><dd>true if the this instance is to be preferred, false otherwise. </dd></dl>
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<a class="anchor" id="a9236172721d10f33fa6a5ebe83efc9e2"></a><!-- doxytag: member="gcu::Cycle::Simplify" ref="a9236172721d10f33fa6a5ebe83efc9e2" args="()" -->
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<td class="memname">void gcu::Cycle::Simplify </td>
<td>(</td>
<td class="paramname"></td>
<td> ) </td>
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<p>Finds the smallest cycles collection in a polycyclic system. </p>
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</div>
<hr/>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="cycle_8h_source.html">cycle.h</a></li>
</ul>
</div>
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