<!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: reaction-step.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">reaction-step.h</div> </div> </div><!--header--> <div class="contents"> <a href="reaction-step_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"> * reaction-step.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) 2004-2010 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_REACTION_STEP_H</span></div> <div class="line"><a name="l00026"></a><span class="lineno"> 26</span> <span class="preprocessor"></span><span class="preprocessor">#define GCHEMPAINT_REACTION_STEP_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">gcp/mechanism-step.h</a>></span></div> <div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="preprocessor">#include <<a class="code" href="gccv_2structs_8h.html">gccv/structs.h</a>></span></div> <div class="line"><a name="l00030"></a><span class="lineno"> 30</span> <span class="preprocessor">#include <set></span></div> <div class="line"><a name="l00031"></a><span class="lineno"> 31</span> </div> <div class="line"><a name="l00033"></a><span class="lineno"> 33</span> <span class="keyword">namespace </span>gcp {</div> <div class="line"><a name="l00034"></a><span class="lineno"> 34</span> </div> <div class="line"><a name="l00035"></a><span class="lineno"> 35</span> <span class="keyword">class </span>Molecule;</div> <div class="line"><a name="l00036"></a><span class="lineno"> 36</span> <span class="keyword">class </span>Reaction;</div> <div class="line"><a name="l00037"></a><span class="lineno"> 37</span> <span class="keyword">class </span>ReactionArrow;</div> <div class="line"><a name="l00038"></a><span class="lineno"> 38</span> </div> <div class="line"><a name="l00039"></a><span class="lineno"> 39</span> <span class="keyword">extern</span> <a class="code" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">gcu::TypeId</a> ReactionStepType;</div> <div class="line"><a name="l00040"></a><span class="lineno"> 40</span> </div> <div class="line"><a name="l00049"></a><span class="lineno"><a class="code" href="classgcp_1_1ReactionStep.html"> 49</a></span> <span class="keyword">class </span><a class="code" href="classgcp_1_1ReactionStep.html" title="the list of reactants before or after a reaction arrow.">ReactionStep</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="l00050"></a><span class="lineno"> 50</span> {</div> <div class="line"><a name="l00051"></a><span class="lineno"> 51</span> <span class="keyword">public</span>:</div> <div class="line"><a name="l00055"></a><span class="lineno"> 55</span>  <a class="code" href="classgcp_1_1ReactionStep.html#ac2dfaf0c4dec6aa8d47864d94bf3761d">ReactionStep</a> ();</div> <div class="line"><a name="l00059"></a><span class="lineno"> 59</span>  <span class="keyword">virtual</span> <a class="code" href="classgcp_1_1ReactionStep.html#a2e207a21a5f5f3e1fae019e08becafe8">~ReactionStep</a> ();</div> <div class="line"><a name="l00060"></a><span class="lineno"> 60</span> </div> <div class="line"><a name="l00069"></a><span class="lineno"> 69</span>  <a class="code" href="classgcp_1_1ReactionStep.html#ac2dfaf0c4dec6aa8d47864d94bf3761d">ReactionStep</a> (<a class="code" href="classgcp_1_1Reaction.html" title="Chemical reaction class.">Reaction</a> *reaction, std::map<double, gcu::Object*>& Children, std::map<gcu::Object*, gccv::Rect> Objects) <span class="keywordflow">throw</span> (std::invalid_argument);</div> <div class="line"><a name="l00076"></a><span class="lineno"> 76</span>  xmlNodePtr <a class="code" href="classgcp_1_1ReactionStep.html#abbf26ce1420f167113e9646d8148c108">Save</a> (xmlDocPtr xml) <span class="keyword">const</span>;</div> <div class="line"><a name="l00083"></a><span class="lineno"> 83</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1ReactionStep.html#a62b948ca5659277a4e73d889aca787e6">Load</a> (xmlNodePtr node);</div> <div class="line"><a name="l00088"></a><span class="lineno"> 88</span>  <span class="keywordtype">double</span> <a class="code" href="classgcp_1_1ReactionStep.html#aa04ee198904f393f01470a507406daaf">GetYAlign</a> ();</div> <div class="line"><a name="l00099"></a><span class="lineno"> 99</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1ReactionStep.html#a9ac38c8d8845eec085d38520b686d147">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="l00100"></a><span class="lineno"> 100</span> </div> <div class="line"><a name="l00104"></a><span class="lineno"> 104</span>  std::string <a class="code" href="classgcp_1_1ReactionStep.html#afd387e2af1e6e8a4caba01a3269f11b2">Name</a> ();</div> <div class="line"><a name="l00111"></a><span class="lineno"> 111</span>  <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1ReactionStep.html#a8e078520f6fc1828db93058a394b0347">AddMolecule</a> (<a class="code" href="classgcp_1_1Molecule.html" title="GChemPaint molecule class.">Molecule</a> *molecule, <span class="keywordtype">bool</span> signal = <span class="keyword">true</span>);</div> <div class="line"><a name="l00114"></a><span class="lineno"> 114</span>  <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1ReactionStep.html#a8f1e1767c93c8ae3c759dfbff10ae91a">OnLoaded</a> ();</div> <div class="line"><a name="l00119"></a><span class="lineno"> 119</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1ReactionStep.html#a8c9393f47fa4ceaaf666e61ec031429d">Validate</a> ();</div> <div class="line"><a name="l00120"></a><span class="lineno"> 120</span> </div> <div class="line"><a name="l00121"></a><span class="lineno"> 121</span> <span class="keyword">private</span>:</div> <div class="line"><a name="l00122"></a><span class="lineno"> 122</span>  <span class="keywordtype">void</span> CleanChildren ();</div> <div class="line"><a name="l00123"></a><span class="lineno"> 123</span> </div> <div class="line"><a name="l00124"></a><span class="lineno"> 124</span> <span class="keyword">private</span>:</div> <div class="line"><a name="l00125"></a><span class="lineno"> 125</span>  <span class="keywordtype">bool</span> m_bLoading;</div> <div class="line"><a name="l00126"></a><span class="lineno"> 126</span> };</div> <div class="line"><a name="l00127"></a><span class="lineno"> 127</span> </div> <div class="line"><a name="l00128"></a><span class="lineno"> 128</span> } <span class="comment">// namespace gcp</span></div> <div class="line"><a name="l00129"></a><span class="lineno"> 129</span> </div> <div class="line"><a name="l00130"></a><span class="lineno"> 130</span> <span class="preprocessor">#endif // GCHEMPAINT_REACTION_STEP_H</span></div> </div><!-- fragment --></div><!-- contents --> <!-- start footer part --> <hr class="footer"/><address class="footer"><small> Generated on Thu Mar 14 2013 17:34:28 for The Gnome Chemistry Utils by  <a href="http://www.doxygen.org/index.html"> <img class="footer" src="doxygen.png" alt="doxygen"/> </a> 1.8.1.2 </small></address> </body> </html>