<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> <html xmlns="http://www.w3.org/1999/xhtml"> <head> <meta http-equiv="Content-Type" content="text/xhtml;charset=UTF-8"/> <meta http-equiv="X-UA-Compatible" content="IE=9"/> <title>The Gnome Chemistry Utils: mesomer.h Source File</title> <link href="tabs.css" rel="stylesheet" type="text/css"/> <script type="text/javascript" src="jquery.js"></script> <script type="text/javascript" src="dynsections.js"></script> <link href="doxygen.css" rel="stylesheet" type="text/css" /> </head> <body> <div id="top"><!-- do not remove this div, it is closed by doxygen! --> <div id="titlearea"> <table cellspacing="0" cellpadding="0"> <tbody> <tr style="height: 56px;"> <td style="padding-left: 0.5em;"> <div id="projectname">The Gnome Chemistry Utils  <span id="projectnumber">0.14.2</span> </div> </td> </tr> </tbody> </table> </div> <!-- end header part --> <!-- Generated by Doxygen 1.8.1.2 --> <div id="navrow1" class="tabs"> <ul class="tablist"> <li><a href="index.html"><span>Main Page</span></a></li> <li><a href="namespaces.html"><span>Namespaces</span></a></li> <li><a href="annotated.html"><span>Classes</span></a></li> <li class="current"><a href="files.html"><span>Files</span></a></li> </ul> </div> <div id="navrow2" class="tabs2"> <ul class="tablist"> <li><a href="files.html"><span>File List</span></a></li> <li><a href="globals.html"><span>File Members</span></a></li> </ul> </div> <div id="nav-path" class="navpath"> <ul> <li class="navelem"><a class="el" href="dir_6719ab1f1f7655efc2fa43f7eb574fd1.html">libs</a></li><li class="navelem"><a class="el" href="dir_69c622b84a81aca1ad0f892f4a5e46bf.html">gcp</a></li> </ul> </div> </div><!-- top --> <div class="header"> <div class="headertitle"> <div class="title">mesomer.h</div> </div> </div><!--header--> <div class="contents"> <a href="mesomer_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"> * GChemPaint library</span></div> <div class="line"><a name="l00005"></a><span class="lineno"> 5</span> <span class="comment"> * mesomer.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) 2005-2010 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 GCHEMPAINT_MESOMER_H</span></div> <div class="line"><a name="l00026"></a><span class="lineno"> 26</span> <span class="preprocessor"></span><span class="preprocessor">#define GCHEMPAINT_MESOMER_H</span></div> <div class="line"><a name="l00027"></a><span class="lineno"> 27</span> <span class="preprocessor"></span></div> <div class="line"><a name="l00028"></a><span class="lineno"> 28</span> <span class="preprocessor">#include "<a class="code" href="mechanism-step_8h.html">mechanism-step.h</a>"</span></div> <div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="preprocessor">#include <map></span></div> <div class="line"><a name="l00030"></a><span class="lineno"> 30</span> </div> <div class="line"><a name="l00032"></a><span class="lineno"> 32</span> <span class="keyword">namespace </span>gcp {</div> <div class="line"><a name="l00033"></a><span class="lineno"> 33</span> </div> <div class="line"><a name="l00034"></a><span class="lineno"> 34</span> <span class="keyword">extern</span> <a class="code" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">gcu::TypeId</a> MesomerType;</div> <div class="line"><a name="l00035"></a><span class="lineno"> 35</span> </div> <div class="line"><a name="l00036"></a><span class="lineno"> 36</span> <span class="keyword">class </span>Mesomery;</div> <div class="line"><a name="l00037"></a><span class="lineno"> 37</span> <span class="keyword">class </span>MesomeryArrow;</div> <div class="line"><a name="l00038"></a><span class="lineno"> 38</span> <span class="keyword">class </span>Molecule;</div> <div class="line"><a name="l00039"></a><span class="lineno"> 39</span> </div> <div class="line"><a name="l00043"></a><span class="lineno"><a class="code" href="classgcp_1_1Mesomer.html"> 43</a></span> <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></div> <div class="line"><a name="l00044"></a><span class="lineno"> 44</span> {</div> <div class="line"><a name="l00045"></a><span class="lineno"> 45</span> <span class="keyword">public</span>:</div> <div class="line"><a name="l00049"></a><span class="lineno"> 49</span>  <a class="code" href="classgcp_1_1Mesomer.html#a525ace7d097345b6b788d4f9e8d79d4b">Mesomer</a> ();</div> <div class="line"><a name="l00053"></a><span class="lineno"> 53</span>  <span class="keyword">virtual</span> <a class="code" href="classgcp_1_1Mesomer.html#a204e7f9c8296a7795b87dd78d145d073">~Mesomer</a> ();</div> <div class="line"><a name="l00054"></a><span class="lineno"> 54</span> </div> <div class="line"><a name="l00063"></a><span class="lineno"> 63</span>  <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);</div> <div class="line"><a name="l00064"></a><span class="lineno"> 64</span> </div> <div class="line"><a name="l00073"></a><span class="lineno"> 73</span>  <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);</div> <div class="line"><a name="l00080"></a><span class="lineno"> 80</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1Mesomer.html#af96bd8e8919f77945bb9f97b68652791">Load</a> (xmlNodePtr node);</div> <div class="line"><a name="l00090"></a><span class="lineno"> 90</span>  <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);</div> <div class="line"><a name="l00096"></a><span class="lineno"> 96</span>  <span class="keywordtype">double</span> <a class="code" href="classgcp_1_1Mesomer.html#a60e9c133c1d0faae9ff0061a1cff45f7">GetYAlign</a> ();</div> <div class="line"><a name="l00103"></a><span class="lineno"> 103</span>  <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);</div> <div class="line"><a name="l00110"></a><span class="lineno"> 110</span>  <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);</div> <div class="line"><a name="l00115"></a><span class="lineno"><a class="code" href="classgcp_1_1Mesomer.html#a6cf02ca4ef0e2d87f5a3cd3577bc165f"> 115</a></span>  <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;}</div> <div class="line"><a name="l00120"></a><span class="lineno"><a class="code" href="classgcp_1_1Mesomer.html#a62cecff95f4d7da1c15e1a8a4327056e"> 120</a></span>  std::map<Mesomer *, MesomeryArrow *> *<a class="code" href="classgcp_1_1Mesomer.html#a62cecff95f4d7da1c15e1a8a4327056e">GetArrows</a> () {<span class="keywordflow">return</span> &m_Arrows;}</div> <div class="line"><a name="l00124"></a><span class="lineno"><a class="code" href="classgcp_1_1Mesomer.html#a606df89608d31abdfc577507e66da1d3"> 124</a></span>  <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;}</div> <div class="line"><a name="l00125"></a><span class="lineno"> 125</span> </div> <div class="line"><a name="l00129"></a><span class="lineno"> 129</span>  std::string <a class="code" href="classgcp_1_1Mesomer.html#a275b8fa509ff36e0ee94cd3287f2de35">Name</a> ();</div> <div class="line"><a name="l00130"></a><span class="lineno"> 130</span> </div> <div class="line"><a name="l00131"></a><span class="lineno"> 131</span> <span class="keyword">private</span>:</div> <div class="line"><a name="l00132"></a><span class="lineno"> 132</span>  <a class="code" href="classgcp_1_1Molecule.html" title="GChemPaint molecule class.">Molecule</a> *m_Molecule;</div> <div class="line"><a name="l00133"></a><span class="lineno"> 133</span>  std::map<Mesomer *, MesomeryArrow *> m_Arrows;</div> <div class="line"><a name="l00134"></a><span class="lineno"> 134</span> };</div> <div class="line"><a name="l00135"></a><span class="lineno"> 135</span> </div> <div class="line"><a name="l00136"></a><span class="lineno"> 136</span> } <span class="comment">// namespace gcp</span></div> <div class="line"><a name="l00137"></a><span class="lineno"> 137</span> </div> <div class="line"><a name="l00138"></a><span class="lineno"> 138</span> <span class="preprocessor">#endif //GCHEMPAINT_MESOMER_H</span></div> 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