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<div id="projectname">The Gnome Chemistry Utils
 <span id="projectnumber">0.14.2</span>
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<a href="cycle_8h.html">Go to the documentation of this file.</a><div class="fragment"><div class="line"><a name="l00001"></a><span class="lineno"> 1</span> <span class="comment">// -*- C++ -*-</span></div>
<div class="line"><a name="l00002"></a><span class="lineno"> 2</span> </div>
<div class="line"><a name="l00003"></a><span class="lineno"> 3</span> <span class="comment">/*</span></div>
<div class="line"><a name="l00004"></a><span class="lineno"> 4</span> <span class="comment"> * Gnome Chemistry Utils</span></div>
<div class="line"><a name="l00005"></a><span class="lineno"> 5</span> <span class="comment"> * libs/gcu/cycle.h</span></div>
<div class="line"><a name="l00006"></a><span class="lineno"> 6</span> <span class="comment"> *</span></div>
<div class="line"><a name="l00007"></a><span class="lineno"> 7</span> <span class="comment"> * Copyright (C) 2001-2010 Jean Bréfort <jean.brefort@normalesup.org></span></div>
<div class="line"><a name="l00008"></a><span class="lineno"> 8</span> <span class="comment"> *</span></div>
<div class="line"><a name="l00009"></a><span class="lineno"> 9</span> <span class="comment"> * This program is free software; you can redistribute it and/or</span></div>
<div class="line"><a name="l00010"></a><span class="lineno"> 10</span> <span class="comment"> * modify it under the terms of the GNU General Public License as</span></div>
<div class="line"><a name="l00011"></a><span class="lineno"> 11</span> <span class="comment"> * published by the Free Software Foundation; either version 3 of the</span></div>
<div class="line"><a name="l00012"></a><span class="lineno"> 12</span> <span class="comment"> * License, or (at your option) any later version.</span></div>
<div class="line"><a name="l00013"></a><span class="lineno"> 13</span> <span class="comment"> *</span></div>
<div class="line"><a name="l00014"></a><span class="lineno"> 14</span> <span class="comment"> * This program is distributed in the hope that it will be useful,</span></div>
<div class="line"><a name="l00015"></a><span class="lineno"> 15</span> <span class="comment"> * but WITHOUT ANY WARRANTY; without even the implied warranty of</span></div>
<div class="line"><a name="l00016"></a><span class="lineno"> 16</span> <span class="comment"> * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span></div>
<div class="line"><a name="l00017"></a><span class="lineno"> 17</span> <span class="comment"> * GNU General Public License for more details.</span></div>
<div class="line"><a name="l00018"></a><span class="lineno"> 18</span> <span class="comment"> *</span></div>
<div class="line"><a name="l00019"></a><span class="lineno"> 19</span> <span class="comment"> * You should have received a copy of the GNU General Public License</span></div>
<div class="line"><a name="l00020"></a><span class="lineno"> 20</span> <span class="comment"> * along with this program; if not, write to the Free Software</span></div>
<div class="line"><a name="l00021"></a><span class="lineno"> 21</span> <span class="comment"> * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301</span></div>
<div class="line"><a name="l00022"></a><span class="lineno"> 22</span> <span class="comment"> * USA</span></div>
<div class="line"><a name="l00023"></a><span class="lineno"> 23</span> <span class="comment"> */</span></div>
<div class="line"><a name="l00024"></a><span class="lineno"> 24</span> </div>
<div class="line"><a name="l00025"></a><span class="lineno"> 25</span> <span class="preprocessor">#ifndef GCU_CYCLE_H</span></div>
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span> <span class="preprocessor"></span><span class="preprocessor">#define GCU_CYCLE_H</span></div>
<div class="line"><a name="l00027"></a><span class="lineno"> 27</span> <span class="preprocessor"></span><span class="preprocessor">#include "<a class="code" href="chain_8h.html">chain.h</a>"</span></div>
<div class="line"><a name="l00028"></a><span class="lineno"> 28</span> </div>
<div class="line"><a name="l00030"></a><span class="lineno"> 30</span> <span class="keyword">namespace </span>gcu {</div>
<div class="line"><a name="l00031"></a><span class="lineno"> 31</span> </div>
<div class="line"><a name="l00036"></a><span class="lineno"><a class="code" href="classgcu_1_1Cycle.html"> 36</a></span> <span class="keyword">class </span><a class="code" href="classgcu_1_1Cycle.html">Cycle</a>: <span class="keyword">public</span> <a class="code" href="classgcu_1_1Chain.html">Chain</a></div>
<div class="line"><a name="l00037"></a><span class="lineno"> 37</span> {</div>
<div class="line"><a name="l00038"></a><span class="lineno"> 38</span> <span class="keyword">public</span>:</div>
<div class="line"><a name="l00044"></a><span class="lineno"> 44</span>  <a class="code" href="classgcu_1_1Cycle.html#adf54a871965c0b403d9a62f744c6521a">Cycle</a> (<a class="code" href="classgcu_1_1Molecule.html">Molecule</a>* molecule);</div>
<div class="line"><a name="l00048"></a><span class="lineno"> 48</span>  <span class="keyword">virtual</span> <a class="code" href="classgcu_1_1Cycle.html#a90cc75eca0ed199e48c1a3b76862e630">~Cycle</a> ();</div>
<div class="line"><a name="l00049"></a><span class="lineno"> 49</span> </div>
<div class="line"><a name="l00053"></a><span class="lineno"> 53</span>  <span class="keywordtype">void</span> <a class="code" href="classgcu_1_1Cycle.html#a9236172721d10f33fa6a5ebe83efc9e2">Simplify</a> (); <span class="comment">//Reduce size of fused cycles</span></div>
<div class="line"><a name="l00061"></a><span class="lineno"> 61</span> <span class="comment"></span> <span class="keyword">virtual</span> <span class="keywordtype">void</span> <a class="code" href="classgcu_1_1Cycle.html#a55e6be78f330b5c3d650b2df4c122b92">Erase</a> (<a class="code" href="classgcu_1_1Atom.html">Atom</a>* pAtom1, <a class="code" href="classgcu_1_1Atom.html">Atom</a>* pAtom2);</div>
<div class="line"><a name="l00070"></a><span class="lineno"> 70</span>  <span class="keyword">virtual</span> <span class="keywordtype">void</span> <a class="code" href="classgcu_1_1Cycle.html#a73097fdcd8b726ec27b904fce91523ca">Insert</a> (<a class="code" href="classgcu_1_1Atom.html">Atom</a>* pAtom1, <a class="code" href="classgcu_1_1Atom.html">Atom</a>* pAtom2, <a class="code" href="classgcu_1_1Chain.html">Chain</a>& chain);</div>
<div class="line"><a name="l00079"></a><span class="lineno"> 79</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcu_1_1Cycle.html#a63fafccd7a5d4e57cd4262f28c1b4fad">IsBetterForBonds</a> (<a class="code" href="classgcu_1_1Cycle.html">Cycle</a>* pCycle);</div>
<div class="line"><a name="l00087"></a><span class="lineno"> 87</span>  <span class="keywordtype">void</span> <a class="code" href="classgcu_1_1Cycle.html#a864a46e6777925334a6768977daa7d76">GetAngles2D</a> (<a class="code" href="classgcu_1_1Bond.html">Bond</a> *pBond, <span class="keywordtype">double</span>* a1, <span class="keywordtype">double</span>* a2);</div>
<div class="line"><a name="l00091"></a><span class="lineno"> 91</span>  <span class="keywordtype">int</span> <a class="code" href="classgcu_1_1Cycle.html#ae3adb1e3ae0159ac521ec44d7d5430ea">GetFusedBonds</a> ();</div>
<div class="line"><a name="l00099"></a><span class="lineno"> 99</span>  <span class="keywordtype">unsigned</span> <a class="code" href="classgcu_1_1Cycle.html#ae3b557899c8ef18378f88a140cd6b8fb">GetBridgeLength</a> (<a class="code" href="classgcu_1_1Cycle.html">Cycle</a> *c, <a class="code" href="classgcu_1_1Atom.html">Atom</a> *atom, <a class="code" href="classgcu_1_1Bond.html">Bond</a> *bond);</div>
<div class="line"><a name="l00103"></a><span class="lineno"> 103</span>  std::string <a class="code" href="classgcu_1_1Cycle.html#a361ce69c31f92c70e21519ad0ee63a5f">Name</a> ();</div>
<div class="line"><a name="l00104"></a><span class="lineno"> 104</span> };</div>
<div class="line"><a name="l00105"></a><span class="lineno"> 105</span> </div>
<div class="line"><a name="l00106"></a><span class="lineno"> 106</span> } <span class="comment">// namespace gcu</span></div>
<div class="line"><a name="l00107"></a><span class="lineno"> 107</span> </div>
<div class="line"><a name="l00108"></a><span class="lineno"> 108</span> <span class="preprocessor">#endif // GCU_CYCLE_H</span></div>
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