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<div id="projectname">The Gnome Chemistry Utils
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<a href="gcr_2document_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 Chemisty Utils</span></div>
<div class="line"><a name="l00005"></a><span class="lineno"> 5</span> <span class="comment"> * gcr/document.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) 2002-2012 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 GCR_DOCUMENT_H</span></div>
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span> <span class="preprocessor"></span><span class="preprocessor">#define GCR_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 <libxml/tree.h></span></div>
<div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="preprocessor">#include <glib.h></span></div>
<div class="line"><a name="l00030"></a><span class="lineno"> 30</span> <span class="preprocessor">#include "<a class="code" href="gcr_2atom_8h.html">atom.h</a>"</span></div>
<div class="line"><a name="l00031"></a><span class="lineno"> 31</span> <span class="preprocessor">#include "bond.h"</span></div>
<div class="line"><a name="l00032"></a><span class="lineno"> 32</span> <span class="preprocessor">#include "<a class="code" href="gcr_2line_8h.html">line.h</a>"</span></div>
<div class="line"><a name="l00033"></a><span class="lineno"> 33</span> <span class="preprocessor">#include "<a class="code" href="cleavage_8h.html">cleavage.h</a>"</span></div>
<div class="line"><a name="l00034"></a><span class="lineno"> 34</span> <span class="preprocessor">#include <<a class="code" href="chemistry_8h.html">gcu/chemistry.h</a>></span></div>
<div class="line"><a name="l00035"></a><span class="lineno"> 35</span> <span class="preprocessor">#include <<a class="code" href="macros_8h.html">gcu/macros.h</a>></span></div>
<div class="line"><a name="l00036"></a><span class="lineno"> 36</span> <span class="preprocessor">#include <<a class="code" href="gldocument_8h.html">gcu/gldocument.h</a>></span></div>
<div class="line"><a name="l00037"></a><span class="lineno"> 37</span> </div>
<div class="line"><a name="l00038"></a><span class="lineno"> 38</span> <span class="keyword">namespace </span>gcu {</div>
<div class="line"><a name="l00039"></a><span class="lineno"> 39</span> <span class="keyword">class </span>Application;</div>
<div class="line"><a name="l00040"></a><span class="lineno"> 40</span> <span class="keyword">class </span>Matrix;</div>
<div class="line"><a name="l00041"></a><span class="lineno"> 41</span> <span class="keyword">class </span>SpaceGroup;</div>
<div class="line"><a name="l00042"></a><span class="lineno"> 42</span> }</div>
<div class="line"><a name="l00043"></a><span class="lineno"> 43</span> </div>
<div class="line"><a name="l00045"></a><span class="lineno"> 45</span> <span class="keyword">namespace </span>gcr {</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> <span class="keyword">class </span>View;</div>
<div class="line"><a name="l00048"></a><span class="lineno"> 48</span> </div>
<div class="line"><a name="l00068"></a><span class="lineno"><a class="code" href="namespacegcr.html#a55bc6869ebbbaf6eaa9c4bf8dac59d05"> 68</a></span> <span class="keyword">enum</span> <a class="code" href="namespacegcr.html#a55bc6869ebbbaf6eaa9c4bf8dac59d05">Lattice</a> {</div>
<div class="line"><a name="l00069"></a><span class="lineno"> 69</span>  cubic=0,</div>
<div class="line"><a name="l00070"></a><span class="lineno"> 70</span>  body_centered_cubic,</div>
<div class="line"><a name="l00071"></a><span class="lineno"> 71</span>  face_centered_cubic,</div>
<div class="line"><a name="l00072"></a><span class="lineno"> 72</span>  hexagonal,</div>
<div class="line"><a name="l00073"></a><span class="lineno"> 73</span>  tetragonal,</div>
<div class="line"><a name="l00074"></a><span class="lineno"> 74</span>  body_centered_tetragonal,</div>
<div class="line"><a name="l00075"></a><span class="lineno"> 75</span>  orthorhombic,</div>
<div class="line"><a name="l00076"></a><span class="lineno"> 76</span>  base_centered_orthorhombic,</div>
<div class="line"><a name="l00077"></a><span class="lineno"> 77</span>  body_centered_orthorhombic,</div>
<div class="line"><a name="l00078"></a><span class="lineno"> 78</span>  face_centered_orthorhombic,</div>
<div class="line"><a name="l00079"></a><span class="lineno"> 79</span>  rhombohedral,</div>
<div class="line"><a name="l00080"></a><span class="lineno"> 80</span>  monoclinic,</div>
<div class="line"><a name="l00081"></a><span class="lineno"> 81</span>  base_centered_monoclinic,</div>
<div class="line"><a name="l00082"></a><span class="lineno"> 82</span>  triclinic</div>
<div class="line"><a name="l00083"></a><span class="lineno"> 83</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="classgcr_1_1Document.html"> 88</a></span> <span class="keyword">class </span><a class="code" href="classgcr_1_1Document.html">Document</a>: <span class="keyword">public</span> <a class="code" href="classgcu_1_1GLDocument.html">gcu::GLDocument</a></div>
<div class="line"><a name="l00089"></a><span class="lineno"> 89</span> {</div>
<div class="line"><a name="l00090"></a><span class="lineno"> 90</span> <span class="keyword">public</span>:</div>
<div class="line"><a name="l00094"></a><span class="lineno"> 94</span>  <a class="code" href="classgcr_1_1Document.html#a4d785cd739e51aa1c7b556a43d053582">Document</a> (<a class="code" href="classgcu_1_1Application.html">gcu::Application</a> *App);</div>
<div class="line"><a name="l00098"></a><span class="lineno"> 98</span>  <span class="keyword">virtual</span> <a class="code" href="classgcr_1_1Document.html#a0b5d4afa88ebb844c413a3b983d05191">~Document</a> ();</div>
<div class="line"><a name="l00099"></a><span class="lineno"> 99</span> </div>
<div class="line"><a name="l00100"></a><span class="lineno"> 100</span>  <span class="keywordtype">bool</span> Load (<span class="keyword">const</span> std::string &filename);</div>
<div class="line"><a name="l00101"></a><span class="lineno"> 101</span> </div>
<div class="line"><a name="l00112"></a><span class="lineno"> 112</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#aecafd37d12c08fadfbd6202ca22ec78c">ParseXMLTree</a> (xmlNode* xml);</div>
<div class="line"><a name="l00117"></a><span class="lineno"> 117</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#aff22d1c95bb10bf2fafc321a6f112a3e">Update</a> ();</div>
<div class="line"><a name="l00118"></a><span class="lineno"> 118</span> </div>
<div class="line"><a name="l00119"></a><span class="lineno"> 119</span>  <span class="keywordtype">void</span> UpdateAllViews ();</div>
<div class="line"><a name="l00120"></a><span class="lineno"> 120</span> </div>
<div class="line"><a name="l00124"></a><span class="lineno"> 124</span>  <a class="code" href="classgcr_1_1View.html">View</a>* <a class="code" href="classgcr_1_1Document.html#a10103c254066bbc3e2e5a101d7d4ccb0">GetView</a> ();</div>
<div class="line"><a name="l00125"></a><span class="lineno"> 125</span> </div>
<div class="line"><a name="l00131"></a><span class="lineno"> 131</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a5d8767cbc81d7ed03fe4195ffba27c6e">Draw</a> (<a class="code" href="classgcu_1_1Matrix.html">gcu::Matrix</a> <span class="keyword">const</span> &m) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00132"></a><span class="lineno"> 132</span> </div>
<div class="line"><a name="l00139"></a><span class="lineno"> 139</span>  <span class="keyword">virtual</span> <a class="code" href="classgcr_1_1View.html">View</a>* <a class="code" href="classgcr_1_1Document.html#a8dd593bb6636771f95231a93857019c5">CreateNewView</a> ();</div>
<div class="line"><a name="l00146"></a><span class="lineno"> 146</span>  <span class="keyword">virtual</span> <a class="code" href="classgcr_1_1Atom.html">Atom</a>* <a class="code" href="classgcr_1_1Document.html#a12b36f0768a96993709c0498d1a5f36b">CreateNewAtom</a> ();</div>
<div class="line"><a name="l00153"></a><span class="lineno"> 153</span>  <span class="keyword">virtual</span> <a class="code" href="classgcr_1_1Line.html">Line</a>* <a class="code" href="classgcr_1_1Document.html#a43db9046daef016c9b2fa80a675fb01d">CreateNewLine</a> ();</div>
<div class="line"><a name="l00159"></a><span class="lineno"> 159</span>  <span class="keyword">virtual</span> <a class="code" href="classgcr_1_1Cleavage.html">Cleavage</a>* <a class="code" href="classgcr_1_1Document.html#a5adf501821eb236f9ab31ef22b1ed70f">CreateNewCleavage</a> ();</div>
<div class="line"><a name="l00164"></a><span class="lineno"> 164</span>  xmlDocPtr <a class="code" href="classgcr_1_1Document.html#a18e7debafaf23d3fbab4ee2fae78c63c">BuildXMLTree</a> () <span class="keyword">const</span>;</div>
<div class="line"><a name="l00170"></a><span class="lineno"> 170</span>  <span class="keyword">virtual</span> <span class="keyword">const</span> <span class="keywordtype">char</span>* <a class="code" href="classgcr_1_1Document.html#aac03edf2bdee6eb37f9dcdcb08e7a269">GetProgramId</a> () <span class="keyword">const</span>;</div>
<div class="line"><a name="l00171"></a><span class="lineno"> 171</span> </div>
<div class="line"><a name="l00179"></a><span class="lineno"> 179</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcr_1_1Document.html#a58cdb1c1ff036513b916c8aca6da2828">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="l00180"></a><span class="lineno"> 180</span> </div>
<div class="line"><a name="l00187"></a><span class="lineno"> 187</span>  std::string <a class="code" href="classgcr_1_1Document.html#ab96c8ab14f9af66a51b324511813158a">GetProperty</a> (<span class="keywordtype">unsigned</span> property) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00188"></a><span class="lineno"> 188</span> </div>
<div class="line"><a name="l00193"></a><span class="lineno"> 193</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcr_1_1Document.html#a9cb709ac754ff96c4e46802114461d2f">Loaded</a> () <span class="keywordflow">throw</span> (gcu::LoaderError);</div>
<div class="line"><a name="l00197"></a><span class="lineno"> 197</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a90a42f258f165e1bfec2f854a36f67df">AddChild</a> (<a class="code" href="classgcu_1_1Object.html#a6f15e766fdfb066008bd4b0779574549">Object</a>* <span class="keywordtype">object</span>);</div>
<div class="line"><a name="l00202"></a><span class="lineno"> 202</span>  <a class="code" href="classgcu_1_1SpaceGroup.html" title="Handle crystallographic space group symmetry.">gcu::SpaceGroup</a> <span class="keyword">const</span> *<a class="code" href="classgcr_1_1Document.html#a5043d9117a4c70e85275a5729ef36413">FindSpaceGroup</a> ();</div>
<div class="line"><a name="l00206"></a><span class="lineno"> 206</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a2d4d6e8d6de7dd1c5e7b0956d4e5b986">Reinit</a> ();</div>
<div class="line"><a name="l00207"></a><span class="lineno"> 207</span> </div>
<div class="line"><a name="l00211"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a1d7b80b65048e9e14368622c887e716b"> 211</a></span>  <a class="code" href="namespacegcr.html#a2ef6f44f96d74c720cd82e8ba910c37f">AtomList</a>* <a class="code" href="classgcr_1_1Document.html#a1d7b80b65048e9e14368622c887e716b">GetAtomList</a> () {<span class="keywordflow">return</span> &<a class="code" href="classgcr_1_1Document.html#a2cca1beba1707e7ac5608d6dd451ee0a">AtomDef</a>;}</div>
<div class="line"><a name="l00212"></a><span class="lineno"> 212</span> </div>
<div class="line"><a name="l00216"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a64188406adcac5f58579705af5f5fc40"> 216</a></span>  <a class="code" href="namespacegcr.html#a2984730714261432e289d2c25bfb4286">CleavageList</a> *<a class="code" href="classgcr_1_1Document.html#a64188406adcac5f58579705af5f5fc40">GetCleavageList</a> () {<span class="keywordflow">return</span> &<a class="code" href="classgcr_1_1Document.html#a91c867501d45c40f3f01927750288fa0">Cleavages</a>;}</div>
<div class="line"><a name="l00217"></a><span class="lineno"> 217</span> </div>
<div class="line"><a name="l00221"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a20b2bbed809ba5d68befa7fb15580ece"> 221</a></span>  <a class="code" href="namespacegcr.html#ab01106b823d9052be4b636f4a7a43d70">LineList</a>* <a class="code" href="classgcr_1_1Document.html#a20b2bbed809ba5d68befa7fb15580ece">GetLineList</a> () {<span class="keywordflow">return</span> &<a class="code" href="classgcr_1_1Document.html#a24e7b1e6d2c5764b9cce20debe72a76e">LineDef</a>;}</div>
<div class="line"><a name="l00222"></a><span class="lineno"> 222</span> </div>
<div class="line"><a name="l00234"></a><span class="lineno"> 234</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a328182f650a8f7f036fbe0fe52daccd0">GetCell</a> (<a class="code" href="namespacegcr.html#a55bc6869ebbbaf6eaa9c4bf8dac59d05">Lattice</a> *lattice, <span class="keywordtype">double</span> *a, <span class="keywordtype">double</span> *b, <span class="keywordtype">double</span> *c, <span class="keywordtype">double</span> *alpha, <span class="keywordtype">double</span> *beta, <span class="keywordtype">double</span> *gamma);</div>
<div class="line"><a name="l00235"></a><span class="lineno"> 235</span> </div>
<div class="line"><a name="l00247"></a><span class="lineno"> 247</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a0be388031cfe6ad66d639a82da72d59c">SetCell</a> (<a class="code" href="namespacegcr.html#a55bc6869ebbbaf6eaa9c4bf8dac59d05">Lattice</a> lattice, <span class="keywordtype">double</span> a, <span class="keywordtype">double</span> b, <span class="keywordtype">double</span> c, <span class="keywordtype">double</span> alpha, <span class="keywordtype">double</span> beta, <span class="keywordtype">double</span> gamma);</div>
<div class="line"><a name="l00248"></a><span class="lineno"> 248</span> </div>
<div class="line"><a name="l00259"></a><span class="lineno"> 259</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a02e28f6eb579b36a1b4b0ba49721ba3e">GetSize</a> (<span class="keywordtype">double</span>* xmin, <span class="keywordtype">double</span>* xmax, <span class="keywordtype">double</span>* ymin, <span class="keywordtype">double</span>* ymax, <span class="keywordtype">double</span>* zmin, <span class="keywordtype">double</span>* zmax);</div>
<div class="line"><a name="l00260"></a><span class="lineno"> 260</span> </div>
<div class="line"><a name="l00271"></a><span class="lineno"> 271</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#aa69eebdea941c070acbe390367cf567c">SetSize</a> (<span class="keywordtype">double</span> xmin, <span class="keywordtype">double</span> xmax, <span class="keywordtype">double</span> ymin, <span class="keywordtype">double</span> ymax, <span class="keywordtype">double</span> zmin, <span class="keywordtype">double</span> zmax);</div>
<div class="line"><a name="l00272"></a><span class="lineno"> 272</span> </div>
<div class="line"><a name="l00276"></a><span class="lineno"> 276</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a983544629784fa621e068e26fe9d54f8">CheckAtoms</a> ();</div>
<div class="line"><a name="l00277"></a><span class="lineno"> 277</span> </div>
<div class="line"><a name="l00281"></a><span class="lineno"> 281</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a85e54a03b15a6ff3cb7175c6e878514b">CheckCleavages</a> ();</div>
<div class="line"><a name="l00282"></a><span class="lineno"> 282</span> </div>
<div class="line"><a name="l00286"></a><span class="lineno"> 286</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a0826f7db7dea50a204f16201e95f6f63">CheckLines</a> ();</div>
<div class="line"><a name="l00287"></a><span class="lineno"> 287</span> </div>
<div class="line"><a name="l00298"></a><span class="lineno"> 298</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#af3f076fd508f30e0a945aa5c6192997c">Define</a> (<span class="keywordtype">unsigned</span> nPage = 0);</div>
<div class="line"><a name="l00299"></a><span class="lineno"> 299</span> </div>
<div class="line"><a name="l00305"></a><span class="lineno"> 305</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a14539dcf43fd6dd45d4d3e70ab16fb4d">AddView</a>(<a class="code" href="classgcr_1_1View.html">View</a>* pView);</div>
<div class="line"><a name="l00306"></a><span class="lineno"> 306</span> </div>
<div class="line"><a name="l00313"></a><span class="lineno"> 313</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcr_1_1Document.html#a1e37ba9b4f170e0960a9b4330ec1fe9a">RemoveView</a>(<a class="code" href="classgcr_1_1View.html">View</a>* pView);</div>
<div class="line"><a name="l00314"></a><span class="lineno"> 314</span> </div>
<div class="line"><a name="l00319"></a><span class="lineno"> 319</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a122ab44a086d76d6ede71f95ff92bd45">RemoveAllViews</a> ();</div>
<div class="line"><a name="l00320"></a><span class="lineno"> 320</span> </div>
<div class="line"><a name="l00324"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a18229835b0d4e1c92376305589f39d35"> 324</a></span>  <a class="code" href="classgcr_1_1View.html">View</a> *<a class="code" href="classgcr_1_1Document.html#a18229835b0d4e1c92376305589f39d35">GetActiveView</a> () {<span class="keywordflow">return</span> m_pActiveView;}</div>
<div class="line"><a name="l00325"></a><span class="lineno"> 325</span> </div>
<div class="line"><a name="l00329"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a4cb36c82339ab82faeb48cff7c0f69c0"> 329</a></span>  std::list <gcr::View *> *<a class="code" href="classgcr_1_1Document.html#a4cb36c82339ab82faeb48cff7c0f69c0">GetViews</a> () {<span class="keywordflow">return</span> &<a class="code" href="classgcr_1_1Document.html#a5b468e11e25b0a78633ddf718eccf93c">m_Views</a>;}</div>
<div class="line"><a name="l00330"></a><span class="lineno"> 330</span> </div>
<div class="line"><a name="l00334"></a><span class="lineno"> 334</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a982023a7fab922fde589e8b2790bf882">RenameViews</a> ();</div>
<div class="line"><a name="l00335"></a><span class="lineno"> 335</span> </div>
<div class="line"><a name="l00342"></a><span class="lineno"> 342</span>  <span class="keywordtype">bool</span> <a class="code" href="classgcr_1_1Document.html#ae663404d91190b24b9fa0fae4597e3fc">VerifySaved</a>();</div>
<div class="line"><a name="l00343"></a><span class="lineno"> 343</span> </div>
<div class="line"><a name="l00349"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a3305b07792d31c7df62f197676a08e7c"> 349</a></span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a3305b07792d31c7df62f197676a08e7c">SetWidget</a> (GtkWidget* widget) {m_widget = widget;}</div>
<div class="line"><a name="l00350"></a><span class="lineno"> 350</span> </div>
<div class="line"><a name="l00354"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a5da1cfa0e30486cd7d0eac006131195b"> 354</a></span>  <span class="keyword">const</span> gchar* <a class="code" href="classgcr_1_1Document.html#a5da1cfa0e30486cd7d0eac006131195b">GetFileName</a> () {<span class="keywordflow">return</span> m_filename;}</div>
<div class="line"><a name="l00355"></a><span class="lineno"> 355</span> </div>
<div class="line"><a name="l00361"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#ab6546d238f32d3c5f122c8d11dbf83f0"> 361</a></span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#ab6546d238f32d3c5f122c8d11dbf83f0">SetActiveView</a> (<a class="code" href="classgcr_1_1View.html">View</a> *pView) {m_pActiveView = pView;}</div>
<div class="line"><a name="l00362"></a><span class="lineno"> 362</span> </div>
<div class="line"><a name="l00370"></a><span class="lineno"> 370</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a0b167332b4a9728c3082b69e8b1ab6b8">SaveAsImage</a> (<span class="keyword">const</span> std::string &filename, <span class="keywordtype">char</span> <span class="keyword">const</span> *type, std::map<std::string, std::string>& options);</div>
<div class="line"><a name="l00371"></a><span class="lineno"> 371</span> </div>
<div class="line"><a name="l00377"></a><span class="lineno"> 377</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a60426c0f31d33347273d8e84a731bba7">SetFileName</a> (<span class="keyword">const</span> std::string &filename);</div>
<div class="line"><a name="l00378"></a><span class="lineno"> 378</span> </div>
<div class="line"><a name="l00384"></a><span class="lineno"> 384</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a332ca3474c9494c1df07433a4b9349a1">SetTitle</a> (<span class="keywordtype">char</span> <span class="keyword">const</span> *title);</div>
<div class="line"><a name="l00385"></a><span class="lineno"> 385</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a332ca3474c9494c1df07433a4b9349a1">SetTitle</a> (std::string& title);</div>
<div class="line"><a name="l00386"></a><span class="lineno"> 386</span> </div>
<div class="line"><a name="l00390"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a3a1caddca58c4cb1183f2bbdae915728"> 390</a></span>  <span class="keywordtype">char</span> <span class="keyword">const</span> *<a class="code" href="classgcr_1_1Document.html#a3a1caddca58c4cb1183f2bbdae915728">GetTitle</a> () {<span class="keywordflow">return</span> <a class="code" href="classgcu_1_1Document.html#a77a71f5eb248150ff4e05fd072cc958a">m_Title</a>.c_str ();}</div>
<div class="line"><a name="l00391"></a><span class="lineno"> 391</span> </div>
<div class="line"><a name="l00397"></a><span class="lineno"> 397</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a430ec4c9076ce070b16c5c92dc63b070">SetAuthor</a> (<span class="keywordtype">char</span> <span class="keyword">const</span> *author);</div>
<div class="line"><a name="l00398"></a><span class="lineno"> 398</span> </div>
<div class="line"><a name="l00404"></a><span class="lineno"> 404</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a79b6f03c2629df554987ade1dbe3cccd">SetMail</a> (<span class="keywordtype">char</span> <span class="keyword">const</span> *mail);</div>
<div class="line"><a name="l00405"></a><span class="lineno"> 405</span> </div>
<div class="line"><a name="l00412"></a><span class="lineno"> 412</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a8625823506cd742670c05f8673c749dd">SetComment</a> (<span class="keywordtype">char</span> <span class="keyword">const</span> *comment);</div>
<div class="line"><a name="l00413"></a><span class="lineno"> 413</span> </div>
<div class="line"><a name="l00419"></a><span class="lineno"> 419</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#ab006a6ed1da53e56bc9ff504cf450151">SetLabel</a> (<span class="keywordtype">char</span> <span class="keyword">const</span> *label);</div>
<div class="line"><a name="l00420"></a><span class="lineno"> 420</span> </div>
<div class="line"><a name="l00424"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a140508e2af6cb547edef65ead03205da"> 424</a></span>  GDate *<a class="code" href="classgcr_1_1Document.html#a140508e2af6cb547edef65ead03205da">GetCreationDate</a> () {<span class="keywordflow">return</span> &<a class="code" href="classgcr_1_1Document.html#a2c7f382cfe175c15e731bd4d641b509f">m_CreationDate</a>;}</div>
<div class="line"><a name="l00425"></a><span class="lineno"> 425</span> </div>
<div class="line"><a name="l00429"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#ac2e5ed5e0d905dbeb788d1140a0434de"> 429</a></span>  GDate *<a class="code" href="classgcr_1_1Document.html#ac2e5ed5e0d905dbeb788d1140a0434de">GetRevisionDate</a> () {<span class="keywordflow">return</span> &<a class="code" href="classgcr_1_1Document.html#a7144060763982ee41b154bdd2f357aaf">m_RevisionDate</a>;}</div>
<div class="line"><a name="l00430"></a><span class="lineno"> 430</span> </div>
<div class="line"><a name="l00434"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#aed884a1526b72d0bb1cf3cf72cf7dfe7"> 434</a></span>  <span class="keywordtype">char</span> <span class="keyword">const</span> *<a class="code" href="classgcr_1_1Document.html#aed884a1526b72d0bb1cf3cf72cf7dfe7">GetLabel</a> () {<span class="keywordflow">return</span> m_Label? m_Label: m_DefaultLabel.c_str ();}</div>
<div class="line"><a name="l00435"></a><span class="lineno"> 435</span> </div>
<div class="line"><a name="l00441"></a><span class="lineno"> 441</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#ad47e8ae5ec4ab47a8fbddb5443b1fbb5">OnExportVRML</a> (<span class="keyword">const</span> std::string &FileName) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00442"></a><span class="lineno"> 442</span> </div>
<div class="line"><a name="l00446"></a><span class="lineno"> 446</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#a066ff8f898b7475ecc366576825001d6">Save</a> () <span class="keyword">const</span>;</div>
<div class="line"><a name="l00447"></a><span class="lineno"> 447</span> </div>
<div class="line"><a name="l00448"></a><span class="lineno"> 448</span> <span class="keyword">protected</span>:</div>
<div class="line"><a name="l00452"></a><span class="lineno"> 452</span>  <span class="keywordtype">void</span> <a class="code" href="classgcr_1_1Document.html#aae368d9cafb601294b30190bed362a9b">Init</a> ();</div>
<div class="line"><a name="l00458"></a><span class="lineno"> 458</span>  <span class="keyword">virtual</span> <span class="keywordtype">bool</span> <a class="code" href="classgcr_1_1Document.html#abbf9cd46175308fdc5d70e57fb77109a">LoadNewView</a> (xmlNodePtr node);</div>
<div class="line"><a name="l00459"></a><span class="lineno"> 459</span> </div>
<div class="line"><a name="l00460"></a><span class="lineno"> 460</span> <span class="keyword">private</span>:</div>
<div class="line"><a name="l00461"></a><span class="lineno"> 461</span>  <span class="keywordtype">void</span> Duplicate (<a class="code" href="classgcr_1_1Atom.html">Atom</a>& <a class="code" href="classgcr_1_1Atom.html">Atom</a>);</div>
<div class="line"><a name="l00462"></a><span class="lineno"> 462</span>  <span class="keywordtype">void</span> Duplicate (<a class="code" href="classgcr_1_1Line.html">Line</a>& <a class="code" href="classgcr_1_1Line.html">Line</a>);</div>
<div class="line"><a name="l00463"></a><span class="lineno"> 463</span>  <span class="keywordtype">void</span> Error(<span class="keywordtype">int</span> num) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00464"></a><span class="lineno"> 464</span> </div>
<div class="line"><a name="l00465"></a><span class="lineno"> 465</span> <span class="keyword">protected</span>:</div>
<div class="line"><a name="l00469"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a84a4251ea4a97b30e1fbbc34e2946d91"> 469</a></span>  <a class="code" href="namespacegcr.html#a55bc6869ebbbaf6eaa9c4bf8dac59d05">Lattice</a> <a class="code" href="classgcr_1_1Document.html#a84a4251ea4a97b30e1fbbc34e2946d91">m_lattice</a>;</div>
<div class="line"><a name="l00473"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a70601fda680e2ffd0e156677821256a6"> 473</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#a70601fda680e2ffd0e156677821256a6">m_a</a>;</div>
<div class="line"><a name="l00477"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a019dc78d34eb22a04880ed402d473c86"> 477</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#a019dc78d34eb22a04880ed402d473c86">m_b</a>;</div>
<div class="line"><a name="l00481"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#aa7e5a313352ec45d7495b955df982a83"> 481</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#aa7e5a313352ec45d7495b955df982a83">m_c</a>;</div>
<div class="line"><a name="l00485"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a314914d54fb4c642c3187a10eb73209d"> 485</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#a314914d54fb4c642c3187a10eb73209d">m_alpha</a>;</div>
<div class="line"><a name="l00489"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a8129d664d84fa10840202221aecfef82"> 489</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#a8129d664d84fa10840202221aecfef82">m_beta</a>;</div>
<div class="line"><a name="l00493"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#ad2dd0c68cbfd45184b5c85ab679075a4"> 493</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#ad2dd0c68cbfd45184b5c85ab679075a4">m_gamma</a>;</div>
<div class="line"><a name="l00497"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a07bdb88113257617a07f6f4de1072d00"> 497</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#a07bdb88113257617a07f6f4de1072d00">m_xmin</a>;</div>
<div class="line"><a name="l00501"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#ac1b594f4dc8d52de9668d378bd0ca3d1"> 501</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#ac1b594f4dc8d52de9668d378bd0ca3d1">m_ymin</a>;</div>
<div class="line"><a name="l00505"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a6154b7c6ccdbece538d7541c52f9e3e0"> 505</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#a6154b7c6ccdbece538d7541c52f9e3e0">m_zmin</a>;</div>
<div class="line"><a name="l00509"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a03d56b7bc7a6e02396357ed88619b119"> 509</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#a03d56b7bc7a6e02396357ed88619b119">m_xmax</a>;</div>
<div class="line"><a name="l00513"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#acb370332cd22996a12de6e234d892fd7"> 513</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#acb370332cd22996a12de6e234d892fd7">m_ymax</a>;</div>
<div class="line"><a name="l00517"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#aaf8e4b6fcbb0815870100f97f5a79183"> 517</a></span>  gdouble <a class="code" href="classgcr_1_1Document.html#aaf8e4b6fcbb0815870100f97f5a79183">m_zmax</a>;</div>
<div class="line"><a name="l00521"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a2cca1beba1707e7ac5608d6dd451ee0a"> 521</a></span>  <a class="code" href="namespacegcr.html#a2ef6f44f96d74c720cd82e8ba910c37f">AtomList</a> <a class="code" href="classgcr_1_1Document.html#a2cca1beba1707e7ac5608d6dd451ee0a">AtomDef</a>;</div>
<div class="line"><a name="l00525"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a6f2a7677beee68b3e210b5946131583e"> 525</a></span>  <a class="code" href="namespacegcr.html#a2ef6f44f96d74c720cd82e8ba910c37f">AtomList</a> <a class="code" href="classgcr_1_1Document.html#a6f2a7677beee68b3e210b5946131583e">Atoms</a>;</div>
<div class="line"><a name="l00529"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a24e7b1e6d2c5764b9cce20debe72a76e"> 529</a></span>  <a class="code" href="namespacegcr.html#ab01106b823d9052be4b636f4a7a43d70">LineList</a> <a class="code" href="classgcr_1_1Document.html#a24e7b1e6d2c5764b9cce20debe72a76e">LineDef</a>;</div>
<div class="line"><a name="l00533"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a7372d0f1d1e28e78aff22041ae1674cb"> 533</a></span>  <a class="code" href="namespacegcr.html#ab01106b823d9052be4b636f4a7a43d70">LineList</a> <a class="code" href="classgcr_1_1Document.html#a7372d0f1d1e28e78aff22041ae1674cb">Lines</a>;</div>
<div class="line"><a name="l00537"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a91c867501d45c40f3f01927750288fa0"> 537</a></span>  <a class="code" href="namespacegcr.html#a2984730714261432e289d2c25bfb4286">CleavageList</a> <a class="code" href="classgcr_1_1Document.html#a91c867501d45c40f3f01927750288fa0">Cleavages</a>;</div>
<div class="line"><a name="l00541"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a5b468e11e25b0a78633ddf718eccf93c"> 541</a></span>  std::list <View *> <a class="code" href="classgcr_1_1Document.html#a5b468e11e25b0a78633ddf718eccf93c">m_Views</a>;</div>
<div class="line"><a name="l00542"></a><span class="lineno"> 542</span> </div>
<div class="line"><a name="l00546"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a2c7f382cfe175c15e731bd4d641b509f"> 546</a></span>  GDate <a class="code" href="classgcr_1_1Document.html#a2c7f382cfe175c15e731bd4d641b509f">m_CreationDate</a>;</div>
<div class="line"><a name="l00547"></a><span class="lineno"> 547</span> </div>
<div class="line"><a name="l00551"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a7144060763982ee41b154bdd2f357aaf"> 551</a></span>  GDate <a class="code" href="classgcr_1_1Document.html#a7144060763982ee41b154bdd2f357aaf">m_RevisionDate</a>;</div>
<div class="line"><a name="l00552"></a><span class="lineno"> 552</span> </div>
<div class="line"><a name="l00553"></a><span class="lineno"> 553</span> <span class="keyword">private</span>:</div>
<div class="line"><a name="l00554"></a><span class="lineno"> 554</span>  gchar *m_filename;</div>
<div class="line"><a name="l00555"></a><span class="lineno"> 555</span>  <span class="keywordtype">bool</span> m_bClosing;</div>
<div class="line"><a name="l00556"></a><span class="lineno"> 556</span>  GtkWidget* m_widget;</div>
<div class="line"><a name="l00557"></a><span class="lineno"> 557</span>  <a class="code" href="classgcr_1_1View.html">View</a> *m_pActiveView;</div>
<div class="line"><a name="l00558"></a><span class="lineno"> 558</span>  std::string m_DefaultLabel;</div>
<div class="line"><a name="l00559"></a><span class="lineno"> 559</span>  <span class="keywordtype">char</span> *m_Label;</div>
<div class="line"><a name="l00560"></a><span class="lineno"> 560</span> </div>
<div class="line"><a name="l00564"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#aacf80eb41951ce182e96d9b39e664355"> 564</a></span> <a class="code" href="macros_8h.html#ae59df402113b58e8e28a7898e09a19a2">GCU_RO_PROP</a> (std::string, NameCommon)</div>
<div class="line"><a name="l00568"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a2ab555e47de7570d7d87e620afb5abf9"> 568</a></span> <a class="code" href="macros_8h.html#ae59df402113b58e8e28a7898e09a19a2">GCU_RO_PROP</a> (std::<span class="keywordtype">string</span>, NameSystematic)</div>
<div class="line"><a name="l00572"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a1c321af69781a7f18fc1988135b95105"> 572</a></span> <a class="code" href="macros_8h.html#ae59df402113b58e8e28a7898e09a19a2">GCU_RO_PROP</a> (std::<span class="keywordtype">string</span>, NameMineral)</div>
<div class="line"><a name="l00576"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#aef03b6b8ff060829ec742cfa73a85e86"> 576</a></span> <a class="code" href="macros_8h.html#ae59df402113b58e8e28a7898e09a19a2">GCU_RO_PROP</a> (std::<span class="keywordtype">string</span>, NameStructure)</div>
<div class="line"><a name="l00587"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a3671110ff9dc6e0b3dbd1d72d473172a"> 587</a></span> <a class="code" href="macros_8h.html#a2e6e8322502a538f4583d41206cea297">GCU_PROP</a> (gcu::SpaceGroup const *, SpaceGroup)</div>
<div class="line"><a name="l00600"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a1522c4cd8b0cc0192d7c975a959f0f8d"> 600</a></span> <a class="code" href="macros_8h.html#a2e6e8322502a538f4583d41206cea297">GCU_PROP</a> (<span class="keywordtype">bool</span>, AutoSpaceGroup)</div>
<div class="line"><a name="l00601"></a><span class="lineno"> 601</span> </div>
<div class="line"><a name="l00614"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#acaa15464b2200bb9c9e36c28ee4926d0"> 614</a></span> <a class="code" href="macros_8h.html#a2e6e8322502a538f4583d41206cea297">GCU_PROP</a> (<span class="keywordtype">bool</span>, FixedSize);</div>
<div class="line"><a name="l00615"></a><span class="lineno"> 615</span> </div>
<div class="line"><a name="l00627"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#ad3ecb22c499341ceb6333d4fd5e66d3d"> 627</a></span> <a class="code" href="macros_8h.html#a2e6e8322502a538f4583d41206cea297">GCU_PROP</a> (<span class="keywordtype">bool</span>, ReadOnly)</div>
<div class="line"><a name="l00628"></a><span class="lineno"> 628</span> </div>
<div class="line"><a name="l00635"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a2d32ecbfd25af694ea4c6b1b80bbfc85"> 635</a></span> <a class="code" href="macros_8h.html#ad52419f8ee19ed3a6e49ca7db37e6a47">GCU_PROT_POINTER_PROP</a> (<span class="keywordtype">char</span>, Author)</div>
<div class="line"><a name="l00636"></a><span class="lineno"> 636</span> </div>
<div class="line"><a name="l00643"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a26a199cf1c0b9eabaa6b4255b237c015"> 643</a></span> <a class="code" href="macros_8h.html#ad52419f8ee19ed3a6e49ca7db37e6a47">GCU_PROT_POINTER_PROP</a> (<span class="keywordtype">char</span>, Mail)</div>
<div class="line"><a name="l00644"></a><span class="lineno"> 644</span> </div>
<div class="line"><a name="l00651"></a><span class="lineno"><a class="code" href="classgcr_1_1Document.html#a5022641634d2491269b92cd550aba739"> 651</a></span> <a class="code" href="macros_8h.html#ad52419f8ee19ed3a6e49ca7db37e6a47">GCU_PROT_POINTER_PROP</a> (<span class="keywordtype">char</span>, Comment)</div>
<div class="line"><a name="l00652"></a><span class="lineno"> 652</span> };</div>
<div class="line"><a name="l00653"></a><span class="lineno"> 653</span> </div>
<div class="line"><a name="l00657"></a><span class="lineno"> 657</span> extern gchar const *<a class="code" href="namespacegcr.html#affbc67153ae78b5a68ad1218d5b47491">LatticeName</a>[];</div>
<div class="line"><a name="l00658"></a><span class="lineno"> 658</span> </div>
<div class="line"><a name="l00659"></a><span class="lineno"> 659</span> } <span class="comment">// namespace gcr</span></div>
<div class="line"><a name="l00660"></a><span class="lineno"> 660</span> </div>
<div class="line"><a name="l00661"></a><span class="lineno"> 661</span> <span class="preprocessor">#endif // GCR_DOCUMENT_H</span></div>
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