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<div id="projectname">The Gnome Chemistry Utils
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<div class="title">fragment-atom.h</div> </div>
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<a href="fragment-atom_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"> * fragment-atom.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) 2003-2009 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_FRAGMENT_ATOM_H</span></div>
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span> <span class="preprocessor"></span><span class="preprocessor">#define GCHEMPAINT_FRAGMENT_ATOM_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="gcp_2atom_8h.html">atom.h</a>"</span></div>
<div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="preprocessor">#include <<a class="code" href="macros_8h.html">gcu/macros.h</a>></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">class </span>Fragment;</div>
<div class="line"><a name="l00035"></a><span class="lineno"> 35</span> <span class="keyword">class </span>View;</div>
<div class="line"><a name="l00036"></a><span class="lineno"> 36</span> </div>
<div class="line"><a name="l00040"></a><span class="lineno"><a class="code" href="classgcp_1_1FragmentAtom.html"> 40</a></span> <span class="keyword">class </span><a class="code" href="classgcp_1_1FragmentAtom.html">FragmentAtom</a>: <span class="keyword">public</span> <a class="code" href="classgcp_1_1Atom.html">Atom</a></div>
<div class="line"><a name="l00041"></a><span class="lineno"> 41</span> {</div>
<div class="line"><a name="l00042"></a><span class="lineno"> 42</span> <span class="keyword">public</span>:</div>
<div class="line"><a name="l00046"></a><span class="lineno"> 46</span>  <a class="code" href="classgcp_1_1FragmentAtom.html#a850dbad25b0dce7eefe78efbabfc3d03">FragmentAtom</a> ();</div>
<div class="line"><a name="l00054"></a><span class="lineno"> 54</span>  <a class="code" href="classgcp_1_1FragmentAtom.html#a850dbad25b0dce7eefe78efbabfc3d03">FragmentAtom</a> (<a class="code" href="classgcp_1_1Fragment.html" title="Atoms groups.">Fragment</a> *fragment, <span class="keywordtype">int</span> Z);</div>
<div class="line"><a name="l00058"></a><span class="lineno"> 58</span>  <span class="keyword">virtual</span> <a class="code" href="classgcp_1_1FragmentAtom.html#a27d6efee321531bb15d45c5589e30d6c">~FragmentAtom</a> ();</div>
<div class="line"><a name="l00059"></a><span class="lineno"> 59</span> </div>
<div class="line"><a name="l00065"></a><span class="lineno"> 65</span>  <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1FragmentAtom.html#aebd1c27ec2490d2b8d313a1aef819616">SetZ</a> (<span class="keywordtype">int</span> Z);</div>
<div class="line"><a name="l00073"></a><span class="lineno"> 73</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1FragmentAtom.html#a989c1215fe116dc30c6b819b8135b7dc">AcceptNewBonds</a> (<span class="keywordtype">int</span> nb);</div>
<div class="line"><a name="l00077"></a><span class="lineno"> 77</span>  <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1FragmentAtom.html#ad42dc61198d0b1dcd4d0b529e83d43aa">Update</a> ();</div>
<div class="line"><a name="l00081"></a><span class="lineno"> 81</span>  <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1FragmentAtom.html#a4f4af10ffb847d8b18f56c1c46bd0f44">AddItem</a> ();</div>
<div class="line"><a name="l00085"></a><span class="lineno"> 85</span>  <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1FragmentAtom.html#aa3a5ae2466637a121c6236858eaf4284">UpdateItem</a> ();</div>
<div class="line"><a name="l00092"></a><span class="lineno"> 92</span>  <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1FragmentAtom.html#a479cb7a61287c7dfd939f6fa278903a8">SetSelected</a> (<span class="keywordtype">int</span> state);</div>
<div class="line"><a name="l00099"></a><span class="lineno"> 99</span>  xmlNodePtr <a class="code" href="classgcp_1_1FragmentAtom.html#a143e33f55d77547cc9be39f2c5e248d0">Save</a> (xmlDocPtr xml) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00107"></a><span class="lineno"> 107</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1FragmentAtom.html#aca577c2cb21b8fcb47fe0790cc41458a">Load</a> (xmlNodePtr node);</div>
<div class="line"><a name="l00120"></a><span class="lineno"> 120</span>  <a class="code" href="namespacegccv.html#a426bffc4b1e2ed677e0d1d111960e4a9">gccv::Anchor</a> <a class="code" href="classgcp_1_1FragmentAtom.html#a5a15d4ce7d28618055412e1959409d41">GetChargePosition</a> (<span class="keywordtype">unsigned</span> <span class="keywordtype">char</span>& Pos, <span class="keywordtype">double</span> Angle, <span class="keywordtype">double</span>& <a class="code" href="classgcu_1_1Atom.html#a845f98c4e1bb2fe68dfa3fc61a83f79d">x</a>, <span class="keywordtype">double</span>& <a class="code" href="classgcu_1_1Atom.html#a483d6aec85bb09acf681d0070f46149c">y</a>);</div>
<div class="line"><a name="l00130"></a><span class="lineno"> 130</span>  <span class="keywordtype">int</span> <a class="code" href="classgcp_1_1FragmentAtom.html#afbe19aaf182c6520377dafb08e983bef">GetAvailablePosition</a> (<span class="keywordtype">double</span>& x, <span class="keywordtype">double</span>& y);</div>
<div class="line"><a name="l00140"></a><span class="lineno"> 140</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1FragmentAtom.html#a244bdf880fedfaa77666b5f6224aea5f">GetPosition</a> (<span class="keywordtype">double</span> angle, <span class="keywordtype">double</span>& x, <span class="keywordtype">double</span>& y);</div>
<div class="line"><a name="l00147"></a><span class="lineno"> 147</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1FragmentAtom.html#a93fde84c232703f5b33a28e7791f186d">AcceptCharge</a> (<span class="keywordtype">int</span> charge);</div>
<div class="line"><a name="l00148"></a><span class="lineno"> 148</span> </div>
<div class="line"><a name="l00154"></a><span class="lineno"> 154</span>  <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1FragmentAtom.html#a4e8dba4b0e4e27309ef30d6036b344f9">AddToMolecule</a> (<a class="code" href="classgcp_1_1Molecule.html" title="GChemPaint molecule class.">Molecule</a>* Mol);</div>
<div class="line"><a name="l00165"></a><span class="lineno"> 165</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcp_1_1FragmentAtom.html#a56baed02ef40ab67c4d7ba50b25394e3">Match</a> (<a class="code" href="classgcu_1_1Atom.html">gcu::Atom</a> *atom, <a class="code" href="classgcu_1_1AtomMatchState.html">gcu::AtomMatchState</a> &state);</div>
<div class="line"><a name="l00171"></a><span class="lineno"> 171</span>  <span class="keywordtype">void</span> <a class="code" href="classgcp_1_1FragmentAtom.html#a77759d71bce21dca0fea6237957fdeab">DoBuildSymbolGeometry</a> (<a class="code" href="classgcp_1_1View.html">View</a> *pView);</div>
<div class="line"><a name="l00172"></a><span class="lineno"> 172</span> </div>
<div class="line"><a name="l00176"></a><span class="lineno"><a class="code" href="classgcp_1_1FragmentAtom.html#a5155af89c0d3789775dd65cd36df2c39"> 176</a></span> <a class="code" href="macros_8h.html#a4669fa4e57baed635fa3e090eb659c32">GCU_RO_POINTER_PROP</a> (<a class="code" href="classgcp_1_1Fragment.html" title="Atoms groups.">Fragment</a>, <a class="code" href="classgcp_1_1Fragment.html" title="Atoms groups.">Fragment</a>)</div>
<div class="line"><a name="l00177"></a><span class="lineno"> 177</span> };</div>
<div class="line"><a name="l00178"></a><span class="lineno"> 178</span> </div>
<div class="line"><a name="l00179"></a><span class="lineno"> 179</span> } <span class="comment">// namespace gcp</span></div>
<div class="line"><a name="l00180"></a><span class="lineno"> 180</span> </div>
<div class="line"><a name="l00181"></a><span class="lineno"> 181</span> <span class="preprocessor">#endif // GCHEMPAINT_FRAGMENT_ATOM_H</span></div>
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