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<a href="mesomer_8h.html">Go to the documentation of this file.</a><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">// -*- C++ -*-</span>
<a name="l00002"></a>00002
<a name="l00003"></a>00003 <span class="comment">/*</span>
<a name="l00004"></a>00004 <span class="comment"> * GChemPaint library</span>
<a name="l00005"></a>00005 <span class="comment"> * mesomer.h</span>
<a name="l00006"></a>00006 <span class="comment"> *</span>
<a name="l00007"></a>00007 <span class="comment"> * Copyright (C) 2005-2010 Jean Bréfort <jean.brefort@normalesup.org></span>
<a name="l00008"></a>00008 <span class="comment"> *</span>
<a name="l00009"></a>00009 <span class="comment"> * This program is free software; you can redistribute it and/or</span>
<a name="l00010"></a>00010 <span class="comment"> * modify it under the terms of the GNU General Public License as</span>
<a name="l00011"></a>00011 <span class="comment"> * published by the Free Software Foundation; either version 2 of the</span>
<a name="l00012"></a>00012 <span class="comment"> * License, or (at your option) any later version.</span>
<a name="l00013"></a>00013 <span class="comment"> *</span>
<a name="l00014"></a>00014 <span class="comment"> * This program is distributed in the hope that it will be useful,</span>
<a name="l00015"></a>00015 <span class="comment"> * but WITHOUT ANY WARRANTY; without even the implied warranty of</span>
<a name="l00016"></a>00016 <span class="comment"> * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span>
<a name="l00017"></a>00017 <span class="comment"> * GNU General Public License for more details.</span>
<a name="l00018"></a>00018 <span class="comment"> *</span>
<a name="l00019"></a>00019 <span class="comment"> * You should have received a copy of the GNU General Public License</span>
<a name="l00020"></a>00020 <span class="comment"> * along with this program; if not, write to the Free Software</span>
<a name="l00021"></a>00021 <span class="comment"> * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301</span>
<a name="l00022"></a>00022 <span class="comment"> * USA</span>
<a name="l00023"></a>00023 <span class="comment"> */</span>
<a name="l00024"></a>00024
<a name="l00025"></a>00025 <span class="preprocessor">#ifndef GCHEMPAINT_MESOMER_H</span>
<a name="l00026"></a>00026 <span class="preprocessor"></span><span class="preprocessor">#define GCHEMPAINT_MESOMER_H</span>
<a name="l00027"></a>00027 <span class="preprocessor"></span>
<a name="l00028"></a>00028 <span class="preprocessor">#include "<a class="code" href="mechanism-step_8h.html">mechanism-step.h</a>"</span>
<a name="l00029"></a>00029 <span class="preprocessor">#include <map></span>
<a name="l00030"></a>00030
<a name="l00032"></a>00032 <span class="keyword">namespace </span>gcp {
<a name="l00033"></a>00033
<a name="l00034"></a>00034 <span class="keyword">extern</span> <a class="code" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">gcu::TypeId</a> MesomerType;
<a name="l00035"></a>00035
<a name="l00036"></a>00036 <span class="keyword">class </span>Mesomery;
<a name="l00037"></a>00037 <span class="keyword">class </span>MesomeryArrow;
<a name="l00038"></a>00038 <span class="keyword">class </span>Molecule;
<a name="l00039"></a>00039
<a name="l00043"></a><a class="code" href="classgcp_1_1Mesomer.html">00043</a> <span class="keyword">class </span><a class="code" href="classgcp_1_1Mesomer.html">Mesomer</a>: <span class="keyword">public</span> <a class="code" href="classgcp_1_1MechanismStep.html" title="Mechanism step.">MechanismStep</a>
<a name="l00044"></a>00044 {
<a name="l00045"></a>00045 <span class="keyword">public</span>:
<a name="l00049"></a>00049 <a class="code" href="classgcp_1_1Mesomer.html#a525ace7d097345b6b788d4f9e8d79d4b">Mesomer</a> ();
<a name="l00053"></a>00053 <span class="keyword">virtual</span> <a class="code" href="classgcp_1_1Mesomer.html#a204e7f9c8296a7795b87dd78d145d073">~Mesomer</a> ();
<a name="l00054"></a>00054
<a name="l00063"></a>00063 <a class="code" href="classgcp_1_1Mesomer.html#a525ace7d097345b6b788d4f9e8d79d4b">Mesomer</a> (<a class="code" href="classgcp_1_1Mesomery.html">Mesomery</a> *mesomery, <a class="code" href="classgcp_1_1Molecule.html" title="GChemPaint molecule class.">Molecule</a> *molecule) <span class="keywordflow">throw</span> (std::invalid_argument);
<a name="l00064"></a>00064
<a name="l00073"></a>00073 <a class="code" href="classgcp_1_1Mesomer.html#a525ace7d097345b6b788d4f9e8d79d4b">Mesomer</a> (<a class="code" href="classgcp_1_1Mesomery.html">Mesomery</a> *mesomery, <a class="code" href="classgcp_1_1MechanismStep.html" title="Mechanism step.">MechanismStep</a> *step) <span class="keywordflow">throw</span> (std::invalid_argument);
<a name="l00080"></a>00080 <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1Mesomer.html#af96bd8e8919f77945bb9f97b68652791">Load</a> (xmlNodePtr node);
<a name="l00090"></a>00090 <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1Mesomer.html#ae97baa144dff1bc8f879f39b1dfa1e4f">OnSignal</a> (<a class="code" href="namespacegcu.html#af13348b065987fa4ca74ca0fb1ffa48e">gcu::SignalId</a> Signal, <a class="code" href="classgcu_1_1Object.html">gcu::Object</a> *Child);
<a name="l00096"></a>00096 <span class="keywordtype">double</span> <a class="code" href="classgcp_1_1Mesomer.html#a60e9c133c1d0faae9ff0061a1cff45f7">GetYAlign</a> ();
<a name="l00103"></a>00103 <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1Mesomer.html#a35155e5fc2c27be76ce5d120fc5ad316">AddArrow</a> (<a class="code" href="classgcp_1_1MesomeryArrow.html">MesomeryArrow</a> *arrow, <a class="code" href="classgcp_1_1Mesomer.html">Mesomer</a> *mesomer) <span class="keywordflow">throw</span> (std::invalid_argument);
<a name="l00110"></a>00110 <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1Mesomer.html#a0cdfb0c666f38d55aac93b4f36342759">RemoveArrow</a> (<a class="code" href="classgcp_1_1MesomeryArrow.html">MesomeryArrow</a> *arrow, <a class="code" href="classgcp_1_1Mesomer.html">Mesomer</a> *mesomer);
<a name="l00115"></a><a class="code" href="classgcp_1_1Mesomer.html#a6cf02ca4ef0e2d87f5a3cd3577bc165f">00115</a> <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1Mesomer.html#a6cf02ca4ef0e2d87f5a3cd3577bc165f">Validate</a> () {<span class="keywordflow">return</span> m_Arrows.size () > 0;}
<a name="l00120"></a><a class="code" href="classgcp_1_1Mesomer.html#a62cecff95f4d7da1c15e1a8a4327056e">00120</a> std::map<Mesomer *, MesomeryArrow *> *<a class="code" href="classgcp_1_1Mesomer.html#a62cecff95f4d7da1c15e1a8a4327056e">GetArrows</a> () {<span class="keywordflow">return</span> &m_Arrows;}
<a name="l00124"></a><a class="code" href="classgcp_1_1Mesomer.html#a606df89608d31abdfc577507e66da1d3">00124</a> <a class="code" href="classgcp_1_1Molecule.html" title="GChemPaint molecule class.">Molecule</a> *<a class="code" href="classgcp_1_1Mesomer.html#a606df89608d31abdfc577507e66da1d3">GetMolecule</a> () {<span class="keywordflow">return</span> m_Molecule;}
<a name="l00125"></a>00125
<a name="l00129"></a>00129 std::string <a class="code" href="classgcp_1_1Mesomer.html#a275b8fa509ff36e0ee94cd3287f2de35">Name</a> ();
<a name="l00130"></a>00130
<a name="l00131"></a>00131 <span class="keyword">private</span>:
<a name="l00132"></a>00132 <a class="code" href="classgcp_1_1Molecule.html" title="GChemPaint molecule class.">Molecule</a> *m_Molecule;
<a name="l00133"></a>00133 std::map<Mesomer *, MesomeryArrow *> m_Arrows;
<a name="l00134"></a>00134 };
<a name="l00135"></a>00135
<a name="l00136"></a>00136 } <span class="comment">// namespace gcp</span>
<a name="l00137"></a>00137
<a name="l00138"></a>00138 <span class="preprocessor">#endif //GCHEMPAINT_MESOMER_H</span>
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