<!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"/>
<title>The Gnome Chemistry Utils: reaction-step.h Source File</title>
<link href="tabs.css" rel="stylesheet" type="text/css"/>
<link href="doxygen.css" rel="stylesheet" type="text/css"/>
</head>
<body>
<!-- Generated by Doxygen 1.7.4 -->
<div id="top">
<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">0.13.5</span></div>
</td>
</tr>
</tbody>
</table>
</div>
<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>
<li><a href="dirs.html"><span>Directories</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_e8e4833ad39bcb8c999c6b13aa077049.html">libs</a> </li>
<li class="navelem"><a class="el" href="dir_344a7c7e82db83b2c13611c46c1f17e3.html">gcp</a> </li>
</ul>
</div>
</div>
<div class="header">
<div class="headertitle">
<div class="title">reaction-step.h</div> </div>
</div>
<div class="contents">
<a href="reaction-step_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"> * reaction-step.h</span>
<a name="l00006"></a>00006 <span class="comment"> *</span>
<a name="l00007"></a>00007 <span class="comment"> * Copyright (C) 2004-2010 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_REACTION_STEP_H</span>
<a name="l00026"></a>00026 <span class="preprocessor"></span><span class="preprocessor">#define GCHEMPAINT_REACTION_STEP_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">gcp/mechanism-step.h</a>></span>
<a name="l00029"></a>00029 <span class="preprocessor">#include <<a class="code" href="gccv_2structs_8h.html">gccv/structs.h</a>></span>
<a name="l00030"></a>00030 <span class="preprocessor">#include <set></span>
<a name="l00031"></a>00031
<a name="l00033"></a>00033 <span class="keyword">namespace </span>gcp {
<a name="l00034"></a>00034
<a name="l00035"></a>00035 <span class="keyword">class </span>Molecule;
<a name="l00036"></a>00036 <span class="keyword">class </span>Reaction;
<a name="l00037"></a>00037 <span class="keyword">class </span>ReactionArrow;
<a name="l00038"></a>00038
<a name="l00039"></a>00039 <span class="keyword">extern</span> <a class="code" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">gcu::TypeId</a> ReactionStepType;
<a name="l00040"></a>00040
<a name="l00049"></a><a class="code" href="classgcp_1_1ReactionStep.html">00049</a> <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>
<a name="l00050"></a>00050 {
<a name="l00051"></a>00051 <span class="keyword">public</span>:
<a name="l00055"></a>00055 <a class="code" href="classgcp_1_1ReactionStep.html#ac2dfaf0c4dec6aa8d47864d94bf3761d">ReactionStep</a> ();
<a name="l00059"></a>00059 <span class="keyword">virtual</span> <a class="code" href="classgcp_1_1ReactionStep.html#a2e207a21a5f5f3e1fae019e08becafe8">~ReactionStep</a> ();
<a name="l00060"></a>00060
<a name="l00069"></a>00069 <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);
<a name="l00076"></a>00076 xmlNodePtr <a class="code" href="classgcp_1_1ReactionStep.html#abbf26ce1420f167113e9646d8148c108">Save</a> (xmlDocPtr xml) <span class="keyword">const</span>;
<a name="l00083"></a>00083 <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1ReactionStep.html#a62b948ca5659277a4e73d889aca787e6">Load</a> (xmlNodePtr node);
<a name="l00088"></a>00088 <span class="keywordtype">double</span> <a class="code" href="classgcp_1_1ReactionStep.html#aa04ee198904f393f01470a507406daaf">GetYAlign</a> ();
<a name="l00099"></a>00099 <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);
<a name="l00100"></a>00100
<a name="l00106"></a><a class="code" href="classgcp_1_1ReactionStep.html#a23dba12219d7b1cfee961db8928fa58b">00106</a> <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1ReactionStep.html#a23dba12219d7b1cfee961db8928fa58b">AddArrow</a> (<a class="code" href="classgcp_1_1ReactionArrow.html">ReactionArrow</a> *arrow) {m_Arrows.insert (arrow);}
<a name="l00113"></a>00113 <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1ReactionStep.html#a9e2e88acf8f08fb80c6ea256088b69bc">RemoveArrow</a> (<a class="code" href="classgcp_1_1ReactionArrow.html">ReactionArrow</a> *arrow);
<a name="l00114"></a>00114
<a name="l00118"></a>00118 std::string <a class="code" href="classgcp_1_1ReactionStep.html#afd387e2af1e6e8a4caba01a3269f11b2">Name</a> ();
<a name="l00125"></a>00125 <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>);
<a name="l00126"></a>00126 <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1ReactionStep.html#a8f1e1767c93c8ae3c759dfbff10ae91a">OnLoaded</a> ();
<a name="l00127"></a>00127
<a name="l00128"></a>00128 <span class="keyword">private</span>:
<a name="l00129"></a>00129 <span class="keywordtype">void</span> CleanChildren ();
<a name="l00130"></a>00130
<a name="l00131"></a>00131 <span class="keyword">private</span>:
<a name="l00132"></a>00132 <span class="keywordtype">bool</span> m_bLoading;
<a name="l00133"></a>00133 std::set<ReactionArrow *> 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_REACTION_STEP_H</span>
</pre></div></div>
</div>
<hr class="footer"/><address class="footer"><small>Generated on Fri Nov 11 2011 18:01:05 for The Gnome Chemistry Utils by 
<a href="http://www.doxygen.org/index.html">
<img class="footer" src="doxygen.png" alt="doxygen"/></a> 1.7.4 </small></address>
</body>
</html>
