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 <span id="projectnumber">0.14.2</span>
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<a href="chem3ddoc_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"> * Gnome Chemistry Utils</span></div>
<div class="line"><a name="l00005"></a><span class="lineno"> 5</span> <span class="comment"> * gcu/chem3ddoc.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) 2006-2012 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 GCU_CHEM3D_DOCUMENT_H</span></div>
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span> <span class="preprocessor"></span><span class="preprocessor">#define GCU_CHEM3D_DOCUMENT_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="macros_8h.html">gcu/macros.h</a>></span></div>
<div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="preprocessor">#include <<a class="code" href="gldocument_8h.html">gcu/gldocument.h</a>></span></div>
<div class="line"><a name="l00030"></a><span class="lineno"> 30</span> <span class="preprocessor">#include <<a class="code" href="gcu_2molecule_8h.html">gcu/molecule.h</a>></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>gcu {</div>
<div class="line"><a name="l00034"></a><span class="lineno"> 34</span> </div>
<div class="line"><a name="l00045"></a><span class="lineno"><a class="code" href="namespacegcu.html#ab34c38b967a01bf8a46680dad90eed43"> 45</a></span> <span class="keyword">typedef</span> <span class="keyword">enum</span></div>
<div class="line"><a name="l00046"></a><span class="lineno"> 46</span> {</div>
<div class="line"><a name="l00047"></a><span class="lineno"> 47</span>  BALL_AND_STICK,</div>
<div class="line"><a name="l00048"></a><span class="lineno"> 48</span>  SPACEFILL,</div>
<div class="line"><a name="l00049"></a><span class="lineno"> 49</span>  CYLINDERS,</div>
<div class="line"><a name="l00050"></a><span class="lineno"> 50</span>  WIREFRAME</div>
<div class="line"><a name="l00051"></a><span class="lineno"> 51</span> } <a class="code" href="namespacegcu.html#ab34c38b967a01bf8a46680dad90eed43">Display3DMode</a>;</div>
<div class="line"><a name="l00052"></a><span class="lineno"> 52</span> </div>
<div class="line"><a name="l00053"></a><span class="lineno"> 53</span> <span class="keyword">class </span>Application;</div>
<div class="line"><a name="l00054"></a><span class="lineno"> 54</span> <span class="keyword">class </span>Matrix;</div>
<div class="line"><a name="l00055"></a><span class="lineno"> 55</span> </div>
<div class="line"><a name="l00061"></a><span class="lineno"><a class="code" href="classgcu_1_1Chem3dDoc.html"> 61</a></span> <span class="keyword">class </span><a class="code" href="classgcu_1_1Chem3dDoc.html">Chem3dDoc</a>: <span class="keyword">public</span> <a class="code" href="classgcu_1_1GLDocument.html">GLDocument</a></div>
<div class="line"><a name="l00062"></a><span class="lineno"> 62</span> {</div>
<div class="line"><a name="l00063"></a><span class="lineno"> 63</span> <span class="keyword">public</span>:</div>
<div class="line"><a name="l00067"></a><span class="lineno"> 67</span>  <a class="code" href="classgcu_1_1Chem3dDoc.html#aed122da98350aa78a79e942f0afe494f">Chem3dDoc</a> ();</div>
<div class="line"><a name="l00072"></a><span class="lineno"> 72</span>  <a class="code" href="classgcu_1_1Chem3dDoc.html#aed122da98350aa78a79e942f0afe494f">Chem3dDoc</a> (<a class="code" href="classgcu_1_1Application.html">Application</a> *App, <a class="code" href="classgcu_1_1GLView.html">GLView</a> *View);</div>
<div class="line"><a name="l00076"></a><span class="lineno"> 76</span>  <span class="keyword">virtual</span> <a class="code" href="classgcu_1_1Chem3dDoc.html#a18d808656b023683ab3fb24a51c7f993">~Chem3dDoc</a> ();</div>
<div class="line"><a name="l00077"></a><span class="lineno"> 77</span> </div>
<div class="line"><a name="l00083"></a><span class="lineno"> 83</span>  <span class="keywordtype">void</span> <a class="code" href="classgcu_1_1Chem3dDoc.html#af05ba220e27dd4d471783f802ca30134">Draw</a> (<a class="code" href="classgcu_1_1Matrix.html">Matrix</a> <span class="keyword">const</span> &m) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00084"></a><span class="lineno"> 84</span> </div>
<div class="line"><a name="l00088"></a><span class="lineno"><a class="code" href="classgcu_1_1Chem3dDoc.html#aa80f903c7660afa78e48c1929e04b486"> 88</a></span>  <span class="keywordtype">bool</span> <a class="code" href="classgcu_1_1Chem3dDoc.html#aa80f903c7660afa78e48c1929e04b486">IsEmpty</a> () {<span class="keywordflow">return</span> !m_Mol || m_Mol-><a class="code" href="classgcu_1_1Molecule.html#a6ad0da2f365b11e8693fae4d24b45030">GetAtomsNumber</a> () == 0;}</div>
<div class="line"><a name="l00089"></a><span class="lineno"> 89</span> </div>
<div class="line"><a name="l00096"></a><span class="lineno"> 96</span>  <span class="keywordtype">void</span> <a class="code" href="classgcu_1_1Chem3dDoc.html#a732761f38f0f5bcf32469533f9cbe038">Load</a> (<span class="keywordtype">char</span> <span class="keyword">const</span> *uri, <span class="keywordtype">char</span> <span class="keyword">const</span> *mime_type);</div>
<div class="line"><a name="l00097"></a><span class="lineno"> 97</span> </div>
<div class="line"><a name="l00106"></a><span class="lineno"> 106</span>  <a class="code" href="namespacegcu.html#a662cb06e31132a49034b70b48a5f2b8f">ContentType</a> <a class="code" href="classgcu_1_1Chem3dDoc.html#adfb9741a2978dcbce7ce171aa6372f2f">LoadData</a> (<span class="keywordtype">char</span> <span class="keyword">const</span> *data, <span class="keywordtype">char</span> <span class="keyword">const</span> *mime_type, <span class="keywordtype">size_t</span> size = 0);</div>
<div class="line"><a name="l00107"></a><span class="lineno"> 107</span> </div>
<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>  <span class="keywordtype">void</span> <a class="code" href="classgcu_1_1Chem3dDoc.html#a3115aa51c6004c187a0ef627c6d16248">OnExportVRML</a> (std::string <span class="keyword">const</span> &filename);</div>
<div class="line"><a name="l00114"></a><span class="lineno"> 114</span> </div>
<div class="line"><a name="l00118"></a><span class="lineno"> 118</span>  <span class="keywordtype">void</span> <a class="code" href="classgcu_1_1Chem3dDoc.html#ae9e819eaf6f841c6b18c1cebf92a0274">Clear</a> ();</div>
<div class="line"><a name="l00119"></a><span class="lineno"> 119</span> </div>
<div class="line"><a name="l00125"></a><span class="lineno"> 125</span>  <span class="keyword">virtual</span> <a class="code" href="classgcu_1_1GLView.html">GLView</a> *<a class="code" href="classgcu_1_1Chem3dDoc.html#a35634017cc3fa0760bdc204589e21a2b">CreateView</a> () = 0;</div>
<div class="line"><a name="l00126"></a><span class="lineno"> 126</span> </div>
<div class="line"><a name="l00135"></a><span class="lineno"> 135</span>  <span class="keyword">static</span> <a class="code" href="namespacegcu.html#ab34c38b967a01bf8a46680dad90eed43">Display3DMode</a> <a class="code" href="classgcu_1_1Chem3dDoc.html#a7abff31871336a803a480efd147f9daf">Display3DModeFromString</a> (<span class="keywordtype">char</span> <span class="keyword">const</span> *name);</div>
<div class="line"><a name="l00136"></a><span class="lineno"> 136</span> </div>
<div class="line"><a name="l00142"></a><span class="lineno"> 142</span>  <span class="keyword">static</span> <span class="keywordtype">char</span> <span class="keyword">const</span> *<a class="code" href="classgcu_1_1Chem3dDoc.html#acd852509ba3dd5a15d173c78e2d7d541">Display3DModeAsString</a> (<a class="code" href="namespacegcu.html#ab34c38b967a01bf8a46680dad90eed43">Display3DMode</a> mode);</div>
<div class="line"><a name="l00143"></a><span class="lineno"> 143</span> </div>
<div class="line"><a name="l00151"></a><span class="lineno"> 151</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcu_1_1Chem3dDoc.html#aba6914ea05a878f8a43b9ba4e9d1a292">SetProperty</a> (<span class="keywordtype">unsigned</span> property, <span class="keywordtype">char</span> <span class="keyword">const</span> *value);</div>
<div class="line"><a name="l00152"></a><span class="lineno"> 152</span> </div>
<div class="line"><a name="l00161"></a><span class="lineno"><a class="code" href="classgcu_1_1Chem3dDoc.html#a41af702b7fb4c10484fa476b9d31f835"> 161</a></span> <a class="code" href="macros_8h.html#a82f428df551c9d2116e35e28f522dc52">GCU_PROP_EX</a> (<a class="code" href="namespacegcu.html#ab34c38b967a01bf8a46680dad90eed43">Display3DMode</a>, Display3D)</div>
<div class="line"><a name="l00165"></a><span class="lineno"><a class="code" href="classgcu_1_1Chem3dDoc.html#a99cbc78cdb484b37a45932b5f2284979"> 165</a></span> <a class="code" href="macros_8h.html#ae59df402113b58e8e28a7898e09a19a2">GCU_RO_PROP</a> (<a class="code" href="classgcu_1_1Molecule.html">Molecule</a> *, Mol)</div>
<div class="line"><a name="l00166"></a><span class="lineno"> 166</span> </div>
<div class="line"><a name="l00167"></a><span class="lineno"> 167</span> private:</div>
<div class="line"><a name="l00168"></a><span class="lineno"> 168</span>  <span class="comment">/* cell parameters to support molecule loaded from a crystal structure */</span></div>
<div class="line"><a name="l00169"></a><span class="lineno"> 169</span>  gdouble m_a, m_b, m_c, m_alpha, m_beta, m_gamma;</div>
<div class="line"><a name="l00170"></a><span class="lineno"> 170</span> };</div>
<div class="line"><a name="l00171"></a><span class="lineno"> 171</span> </div>
<div class="line"><a name="l00172"></a><span class="lineno"> 172</span> } <span class="comment">// namespace gcu</span></div>
<div class="line"><a name="l00173"></a><span class="lineno"> 173</span> </div>
<div class="line"><a name="l00174"></a><span class="lineno"> 174</span> <span class="preprocessor">#endif // GCU_CHEM3D_DOCUMENT_H</span></div>
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