Homec4science
Diffusion lammps (lammm-master-deprecated) Browse

lammps/lib/voronoi/html/container_8hh_source.html
ec1abcb64185lammm-master-deprecated

Last Change
Raw File

container_8hh_source.html
View Options

<!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>Voro++: container.hh 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">Voro++
</div>
</td>
</tr>
</tbody>
</table>
</div>
<!-- end header part -->
<!-- Generated by Doxygen 1.8.1.1 -->
<div id="navrow1" class="tabs">
<ul class="tablist">
<li><a href="index.html"><span>Main&#160;Page</span></a></li>
<li><a href="annotated.html"><span>Data&#160;Structures</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&#160;List</span></a></li>
<li><a href="globals.html"><span>Globals</span></a></li>
</ul>
</div>
</div><!-- top -->
<div class="header">
<div class="headertitle">
<div class="title">container.hh</div> </div>
</div><!--header-->
<div class="contents">
<a href="container_8hh.html">Go to the documentation of this file.</a><div class="fragment"><div class="line"><a name="l00001"></a><span class="lineno"> 1</span>&#160;<span class="comment">// Voro++, a 3D cell-based Voronoi library</span></div>
<div class="line"><a name="l00002"></a><span class="lineno"> 2</span>&#160;<span class="comment">//</span></div>
<div class="line"><a name="l00003"></a><span class="lineno"> 3</span>&#160;<span class="comment">// Author : Chris H. Rycroft (LBL / UC Berkeley)</span></div>
<div class="line"><a name="l00004"></a><span class="lineno"> 4</span>&#160;<span class="comment">// Email : chr@alum.mit.edu</span></div>
<div class="line"><a name="l00005"></a><span class="lineno"> 5</span>&#160;<span class="comment">// Date : August 30th 2011</span></div>
<div class="line"><a name="l00006"></a><span class="lineno"> 6</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00007"></a><span class="lineno"> 7</span>&#160;<span class="comment">/** \file container.hh</span></div>
<div class="line"><a name="l00008"></a><span class="lineno"> 8</span>&#160;<span class="comment"> * \brief Header file for the container_base and related classes. */</span></div>
<div class="line"><a name="l00009"></a><span class="lineno"> 9</span>&#160;</div>
<div class="line"><a name="l00010"></a><span class="lineno"> 10</span>&#160;<span class="preprocessor">#ifndef VOROPP_CONTAINER_HH</span></div>
<div class="line"><a name="l00011"></a><span class="lineno"> 11</span>&#160;<span class="preprocessor"></span><span class="preprocessor">#define VOROPP_CONTAINER_HH</span></div>
<div class="line"><a name="l00012"></a><span class="lineno"> 12</span>&#160;<span class="preprocessor"></span></div>
<div class="line"><a name="l00013"></a><span class="lineno"> 13</span>&#160;<span class="preprocessor">#include &lt;cstdio&gt;</span></div>
<div class="line"><a name="l00014"></a><span class="lineno"> 14</span>&#160;<span class="preprocessor">#include &lt;vector&gt;</span></div>
<div class="line"><a name="l00015"></a><span class="lineno"> 15</span>&#160;</div>
<div class="line"><a name="l00016"></a><span class="lineno"> 16</span>&#160;<span class="preprocessor">#include &quot;<a class="code" href="config_8hh.html" title="Master configuration file for setting various compile-time options.">config.hh</a>&quot;</span></div>
<div class="line"><a name="l00017"></a><span class="lineno"> 17</span>&#160;<span class="preprocessor">#include &quot;<a class="code" href="common_8hh.html" title="Header file for the small helper functions.">common.hh</a>&quot;</span></div>
<div class="line"><a name="l00018"></a><span class="lineno"> 18</span>&#160;<span class="preprocessor">#include &quot;<a class="code" href="v__base_8hh.html" title="Header file for the base Voronoi container class.">v_base.hh</a>&quot;</span></div>
<div class="line"><a name="l00019"></a><span class="lineno"> 19</span>&#160;<span class="preprocessor">#include &quot;<a class="code" href="cell_8hh.html" title="Header file for the voronoicell and related classes.">cell.hh</a>&quot;</span></div>
<div class="line"><a name="l00020"></a><span class="lineno"> 20</span>&#160;<span class="preprocessor">#include &quot;<a class="code" href="c__loops_8hh.html" title="Header file for the loop classes.">c_loops.hh</a>&quot;</span></div>
<div class="line"><a name="l00021"></a><span class="lineno"> 21</span>&#160;<span class="preprocessor">#include &quot;<a class="code" href="v__compute_8hh.html" title="Header file for the voro_compute template and related classes.">v_compute.hh</a>&quot;</span></div>
<div class="line"><a name="l00022"></a><span class="lineno"> 22</span>&#160;<span class="preprocessor">#include &quot;<a class="code" href="rad__option_8hh.html" title="Header file for the classes encapsulating functionality for the regular and radical Voronoi tessellat...">rad_option.hh</a>&quot;</span></div>
<div class="line"><a name="l00023"></a><span class="lineno"> 23</span>&#160;</div>
<div class="line"><a name="l00024"></a><span class="lineno"> 24</span>&#160;<span class="keyword">namespace </span>voro {</div>
<div class="line"><a name="l00025"></a><span class="lineno"> 25</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span>&#160;<span class="comment">/** \brief Pure virtual class from which wall objects are derived.</span></div>
<div class="line"><a name="l00027"></a><span class="lineno"> 27</span>&#160;<span class="comment"> *</span></div>
<div class="line"><a name="l00028"></a><span class="lineno"> 28</span>&#160;<span class="comment"> * This is a pure virtual class for a generic wall object. A wall object</span></div>
<div class="line"><a name="l00029"></a><span class="lineno"> 29</span>&#160;<span class="comment"> * can be specified by deriving a new class from this and specifying the</span></div>
<div class="line"><a name="l00030"></a><span class="lineno"> 30</span>&#160;<span class="comment"> * functions.*/</span></div>
<div class="line"><a name="l00031"></a><span class="lineno"><a class="code" href="classvoro_1_1wall.html"> 31</a></span>&#160;<span class="keyword">class </span><a class="code" href="classvoro_1_1wall.html" title="Pure virtual class from which wall objects are derived.">wall</a> {</div>
<div class="line"><a name="l00032"></a><span class="lineno"> 32</span>&#160; <span class="keyword">public</span>:</div>
<div class="line"><a name="l00033"></a><span class="lineno"> 33</span>&#160; <span class="keyword">virtual</span> ~<a class="code" href="classvoro_1_1wall.html" title="Pure virtual class from which wall objects are derived.">wall</a>() {}<span class="comment"></span></div>
<div class="line"><a name="l00034"></a><span class="lineno"> 34</span>&#160;<span class="comment"> /** A pure virtual function for testing whether a point is</span></div>
<div class="line"><a name="l00035"></a><span class="lineno"> 35</span>&#160;<span class="comment"> * inside the wall object. */</span></div>
<div class="line"><a name="l00036"></a><span class="lineno"> 36</span>&#160; <span class="keyword">virtual</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1wall.html#ae49edf1ae1036be9ffaa5c2bd7fcd82d">point_inside</a>(<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z) = 0;<span class="comment"></span></div>
<div class="line"><a name="l00037"></a><span class="lineno"> 37</span>&#160;<span class="comment"> /** A pure virtual function for cutting a cell without</span></div>
<div class="line"><a name="l00038"></a><span class="lineno"> 38</span>&#160;<span class="comment"> * neighbor-tracking with a wall. */</span></div>
<div class="line"><a name="l00039"></a><span class="lineno"> 39</span>&#160; <span class="keyword">virtual</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1wall.html#ab54b4c6d37223584f1fbf653d0b17d14">cut_cell</a>(<a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> &amp;c,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z) = 0;<span class="comment"></span></div>
<div class="line"><a name="l00040"></a><span class="lineno"> 40</span>&#160;<span class="comment"> /** A pure virtual function for cutting a cell with</span></div>
<div class="line"><a name="l00041"></a><span class="lineno"> 41</span>&#160;<span class="comment"> * neighbor-tracking enabled with a wall. */</span></div>
<div class="line"><a name="l00042"></a><span class="lineno"> 42</span>&#160; <span class="keyword">virtual</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1wall.html#ab54b4c6d37223584f1fbf653d0b17d14">cut_cell</a>(<a class="code" href="classvoro_1_1voronoicell__neighbor.html" title="Extension of the voronoicell_base class to represent a Voronoi cell with neighbor information...">voronoicell_neighbor</a> &amp;c,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z) = 0;</div>
<div class="line"><a name="l00043"></a><span class="lineno"> 43</span>&#160;};</div>
<div class="line"><a name="l00044"></a><span class="lineno"> 44</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00045"></a><span class="lineno"> 45</span>&#160;<span class="comment">/** \brief A class for storing a list of pointers to walls.</span></div>
<div class="line"><a name="l00046"></a><span class="lineno"> 46</span>&#160;<span class="comment"> *</span></div>
<div class="line"><a name="l00047"></a><span class="lineno"> 47</span>&#160;<span class="comment"> * This class stores a list of pointers to wall classes. It contains several</span></div>
<div class="line"><a name="l00048"></a><span class="lineno"> 48</span>&#160;<span class="comment"> * simple routines that make use of the wall classes (such as telling whether a</span></div>
<div class="line"><a name="l00049"></a><span class="lineno"> 49</span>&#160;<span class="comment"> * given position is inside all of the walls or not). It can be used by itself,</span></div>
<div class="line"><a name="l00050"></a><span class="lineno"> 50</span>&#160;<span class="comment"> * but also forms part of container_base, for associating walls with this</span></div>
<div class="line"><a name="l00051"></a><span class="lineno"> 51</span>&#160;<span class="comment"> * class. */</span></div>
<div class="line"><a name="l00052"></a><span class="lineno"><a class="code" href="classvoro_1_1wall__list.html"> 52</a></span>&#160;<span class="keyword">class </span><a class="code" href="classvoro_1_1wall__list.html" title="A class for storing a list of pointers to walls.">wall_list</a> {</div>
<div class="line"><a name="l00053"></a><span class="lineno"> 53</span>&#160; <span class="keyword">public</span>:<span class="comment"></span></div>
<div class="line"><a name="l00054"></a><span class="lineno"> 54</span>&#160;<span class="comment"> /** An array holding pointers to wall objects. */</span></div>
<div class="line"><a name="l00055"></a><span class="lineno"><a class="code" href="classvoro_1_1wall__list.html#abfc54768de5b596237d7eef5f589fe90"> 55</a></span>&#160; <a class="code" href="classvoro_1_1wall.html" title="Pure virtual class from which wall objects are derived.">wall</a> **<a class="code" href="classvoro_1_1wall__list.html#abfc54768de5b596237d7eef5f589fe90">walls</a>;<span class="comment"></span></div>
<div class="line"><a name="l00056"></a><span class="lineno"> 56</span>&#160;<span class="comment"> /** A pointer to the next free position to add a wall pointer.</span></div>
<div class="line"><a name="l00057"></a><span class="lineno"> 57</span>&#160;<span class="comment"> */</span></div>
<div class="line"><a name="l00058"></a><span class="lineno"><a class="code" href="classvoro_1_1wall__list.html#abb48a3e29042c51cf48fa6a6b6c2dc1d"> 58</a></span>&#160; <a class="code" href="classvoro_1_1wall.html" title="Pure virtual class from which wall objects are derived.">wall</a> **<a class="code" href="classvoro_1_1wall__list.html#abb48a3e29042c51cf48fa6a6b6c2dc1d">wep</a>;</div>
<div class="line"><a name="l00059"></a><span class="lineno"> 59</span>&#160; <a class="code" href="classvoro_1_1wall__list.html#a248fb5d008de9a5a97d4720d47794698">wall_list</a>();</div>
<div class="line"><a name="l00060"></a><span class="lineno"> 60</span>&#160; <a class="code" href="classvoro_1_1wall__list.html#a8b0402f2bfad31b7d0204d4120cd60be">~wall_list</a>();<span class="comment"></span></div>
<div class="line"><a name="l00061"></a><span class="lineno"> 61</span>&#160;<span class="comment"> /** Adds a wall to the list.</span></div>
<div class="line"><a name="l00062"></a><span class="lineno"> 62</span>&#160;<span class="comment"> * \param[in] w the wall to add. */</span></div>
<div class="line"><a name="l00063"></a><span class="lineno"><a class="code" href="classvoro_1_1wall__list.html#aca50327f246b61f6aeef5337327d957d"> 63</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1wall__list.html#aca50327f246b61f6aeef5337327d957d">add_wall</a>(<a class="code" href="classvoro_1_1wall.html" title="Pure virtual class from which wall objects are derived.">wall</a> *w) {</div>
<div class="line"><a name="l00064"></a><span class="lineno"> 64</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1wall__list.html#abb48a3e29042c51cf48fa6a6b6c2dc1d">wep</a>==<a class="code" href="classvoro_1_1wall__list.html#a292491bc99b6bbc819bb3720fcfb08a1">wel</a>) <a class="code" href="classvoro_1_1wall__list.html#afb2cd60a3624dd4033ccddd690321489">increase_wall_memory</a>();</div>
<div class="line"><a name="l00065"></a><span class="lineno"> 65</span>&#160; *(<a class="code" href="classvoro_1_1wall__list.html#abb48a3e29042c51cf48fa6a6b6c2dc1d">wep</a>++)=w;</div>
<div class="line"><a name="l00066"></a><span class="lineno"> 66</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00067"></a><span class="lineno"> 67</span>&#160;<span class="comment"> /** Adds a wall to the list.</span></div>
<div class="line"><a name="l00068"></a><span class="lineno"> 68</span>&#160;<span class="comment"> * \param[in] w a reference to the wall to add. */</span></div>
<div class="line"><a name="l00069"></a><span class="lineno"><a class="code" href="classvoro_1_1wall__list.html#a8e3a5253fa0392bf0f8b7a84eb1b61d4"> 69</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1wall__list.html#a8e3a5253fa0392bf0f8b7a84eb1b61d4">add_wall</a>(<a class="code" href="classvoro_1_1wall.html" title="Pure virtual class from which wall objects are derived.">wall</a> &amp;w) {<a class="code" href="classvoro_1_1wall__list.html#a8e3a5253fa0392bf0f8b7a84eb1b61d4">add_wall</a>(&amp;w);}</div>
<div class="line"><a name="l00070"></a><span class="lineno"> 70</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1wall__list.html#aca50327f246b61f6aeef5337327d957d">add_wall</a>(<a class="code" href="classvoro_1_1wall__list.html" title="A class for storing a list of pointers to walls.">wall_list</a> &amp;wl);<span class="comment"></span></div>
<div class="line"><a name="l00071"></a><span class="lineno"> 71</span>&#160;<span class="comment"> /** Determines whether a given position is inside all of the</span></div>
<div class="line"><a name="l00072"></a><span class="lineno"> 72</span>&#160;<span class="comment"> * walls on the list.</span></div>
<div class="line"><a name="l00073"></a><span class="lineno"> 73</span>&#160;<span class="comment"> * \param[in] (x,y,z) the position to test.</span></div>
<div class="line"><a name="l00074"></a><span class="lineno"> 74</span>&#160;<span class="comment"> * \return True if it is inside, false if it is outside. */</span></div>
<div class="line"><a name="l00075"></a><span class="lineno"><a class="code" href="classvoro_1_1wall__list.html#ae6d83d60ffa99fb6712445616883d1c8"> 75</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1wall__list.html#ae6d83d60ffa99fb6712445616883d1c8">point_inside_walls</a>(<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z) {</div>
<div class="line"><a name="l00076"></a><span class="lineno"> 76</span>&#160; <span class="keywordflow">for</span>(<a class="code" href="classvoro_1_1wall.html" title="Pure virtual class from which wall objects are derived.">wall</a> **wp=<a class="code" href="classvoro_1_1wall__list.html#abfc54768de5b596237d7eef5f589fe90">walls</a>;wp&lt;<a class="code" href="classvoro_1_1wall__list.html#abb48a3e29042c51cf48fa6a6b6c2dc1d">wep</a>;wp++) <span class="keywordflow">if</span>(!((*wp)-&gt;point_inside(x,y,z))) <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
<div class="line"><a name="l00077"></a><span class="lineno"> 77</span>&#160; <span class="keywordflow">return</span> <span class="keyword">true</span>;</div>
<div class="line"><a name="l00078"></a><span class="lineno"> 78</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00079"></a><span class="lineno"> 79</span>&#160;<span class="comment"> /** Cuts a Voronoi cell by all of the walls currently on</span></div>
<div class="line"><a name="l00080"></a><span class="lineno"> 80</span>&#160;<span class="comment"> * the list.</span></div>
<div class="line"><a name="l00081"></a><span class="lineno"> 81</span>&#160;<span class="comment"> * \param[in] c a reference to the Voronoi cell class.</span></div>
<div class="line"><a name="l00082"></a><span class="lineno"> 82</span>&#160;<span class="comment"> * \param[in] (x,y,z) the position of the cell.</span></div>
<div class="line"><a name="l00083"></a><span class="lineno"> 83</span>&#160;<span class="comment"> * \return True if the cell still exists, false if the cell is</span></div>
<div class="line"><a name="l00084"></a><span class="lineno"> 84</span>&#160;<span class="comment"> * deleted. */</span></div>
<div class="line"><a name="l00085"></a><span class="lineno"> 85</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_<span class="keyword">class</span>&gt;</div>
<div class="line"><a name="l00086"></a><span class="lineno"><a class="code" href="classvoro_1_1wall__list.html#ae3d367bca20c8d5714e2978ed67fe019"> 86</a></span>&#160; <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1wall__list.html#ae3d367bca20c8d5714e2978ed67fe019">apply_walls</a>(c_class &amp;c,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z) {</div>
<div class="line"><a name="l00087"></a><span class="lineno"> 87</span>&#160; <span class="keywordflow">for</span>(<a class="code" href="classvoro_1_1wall.html" title="Pure virtual class from which wall objects are derived.">wall</a> **wp=<a class="code" href="classvoro_1_1wall__list.html#abfc54768de5b596237d7eef5f589fe90">walls</a>;wp&lt;<a class="code" href="classvoro_1_1wall__list.html#abb48a3e29042c51cf48fa6a6b6c2dc1d">wep</a>;wp++) <span class="keywordflow">if</span>(!((*wp)-&gt;cut_cell(c,x,y,z))) <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
<div class="line"><a name="l00088"></a><span class="lineno"> 88</span>&#160; <span class="keywordflow">return</span> <span class="keyword">true</span>;</div>
<div class="line"><a name="l00089"></a><span class="lineno"> 89</span>&#160; }</div>
<div class="line"><a name="l00090"></a><span class="lineno"> 90</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1wall__list.html#a49c42b672f2eb7535c3b3564bb6cf51f">deallocate</a>();</div>
<div class="line"><a name="l00091"></a><span class="lineno"> 91</span>&#160; <span class="keyword">protected</span>:</div>
<div class="line"><a name="l00092"></a><span class="lineno"> 92</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1wall__list.html#afb2cd60a3624dd4033ccddd690321489">increase_wall_memory</a>();<span class="comment"></span></div>
<div class="line"><a name="l00093"></a><span class="lineno"> 93</span>&#160;<span class="comment"> /** A pointer to the limit of the walls array, used to</span></div>
<div class="line"><a name="l00094"></a><span class="lineno"> 94</span>&#160;<span class="comment"> * determine when array is full. */</span></div>
<div class="line"><a name="l00095"></a><span class="lineno"><a class="code" href="classvoro_1_1wall__list.html#a292491bc99b6bbc819bb3720fcfb08a1"> 95</a></span>&#160; <a class="code" href="classvoro_1_1wall.html" title="Pure virtual class from which wall objects are derived.">wall</a> **<a class="code" href="classvoro_1_1wall__list.html#a292491bc99b6bbc819bb3720fcfb08a1">wel</a>;<span class="comment"></span></div>
<div class="line"><a name="l00096"></a><span class="lineno"> 96</span>&#160;<span class="comment"> /** The current amount of memory allocated for walls. */</span></div>
<div class="line"><a name="l00097"></a><span class="lineno"><a class="code" href="classvoro_1_1wall__list.html#a8a06b6562bbf488ff30852cd1a548506"> 97</a></span>&#160; <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1wall__list.html#a8a06b6562bbf488ff30852cd1a548506">current_wall_size</a>;</div>
<div class="line"><a name="l00098"></a><span class="lineno"> 98</span>&#160;};</div>
<div class="line"><a name="l00099"></a><span class="lineno"> 99</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00100"></a><span class="lineno"> 100</span>&#160;<span class="comment">/** \brief Class for representing a particle system in a three-dimensional</span></div>
<div class="line"><a name="l00101"></a><span class="lineno"> 101</span>&#160;<span class="comment"> * rectangular box.</span></div>
<div class="line"><a name="l00102"></a><span class="lineno"> 102</span>&#160;<span class="comment"> *</span></div>
<div class="line"><a name="l00103"></a><span class="lineno"> 103</span>&#160;<span class="comment"> * This class represents a system of particles in a three-dimensional</span></div>
<div class="line"><a name="l00104"></a><span class="lineno"> 104</span>&#160;<span class="comment"> * rectangular box. Any combination of non-periodic and periodic coordinates</span></div>
<div class="line"><a name="l00105"></a><span class="lineno"> 105</span>&#160;<span class="comment"> * can be used in the three coordinate directions. The class is not intended</span></div>
<div class="line"><a name="l00106"></a><span class="lineno"> 106</span>&#160;<span class="comment"> * for direct use, but instead forms the base of the container and</span></div>
<div class="line"><a name="l00107"></a><span class="lineno"> 107</span>&#160;<span class="comment"> * container_poly classes that add specialized routines for computing the</span></div>
<div class="line"><a name="l00108"></a><span class="lineno"> 108</span>&#160;<span class="comment"> * regular and radical Voronoi tessellations respectively. It contains routines</span></div>
<div class="line"><a name="l00109"></a><span class="lineno"> 109</span>&#160;<span class="comment"> * that are commonly between these two classes, such as those for drawing the</span></div>
<div class="line"><a name="l00110"></a><span class="lineno"> 110</span>&#160;<span class="comment"> * domain, and placing particles within the internal data structure.</span></div>
<div class="line"><a name="l00111"></a><span class="lineno"> 111</span>&#160;<span class="comment"> *</span></div>
<div class="line"><a name="l00112"></a><span class="lineno"> 112</span>&#160;<span class="comment"> * The class is derived from the wall_list class, which encapsulates routines</span></div>
<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>&#160;<span class="comment"> * for associating walls with the container, and the voro_base class, which</span></div>
<div class="line"><a name="l00114"></a><span class="lineno"> 114</span>&#160;<span class="comment"> * encapsulates routines about the underlying computational grid. */</span></div>
<div class="line"><a name="l00115"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html"> 115</a></span>&#160;<span class="keyword">class </span><a class="code" href="classvoro_1_1container__base.html" title="Class for representing a particle system in a three-dimensional rectangular box.">container_base</a> : <span class="keyword">public</span> <a class="code" href="classvoro_1_1voro__base.html" title="Class containing data structures common across all particle container classes.">voro_base</a>, <span class="keyword">public</span> <a class="code" href="classvoro_1_1wall__list.html" title="A class for storing a list of pointers to walls.">wall_list</a> {</div>
<div class="line"><a name="l00116"></a><span class="lineno"> 116</span>&#160; <span class="keyword">public</span>:<span class="comment"></span></div>
<div class="line"><a name="l00117"></a><span class="lineno"> 117</span>&#160;<span class="comment"> /** The minimum x coordinate of the container. */</span></div>
<div class="line"><a name="l00118"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#ab33ca2a8d7282d65a731d854d27906f2"> 118</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__base.html#ab33ca2a8d7282d65a731d854d27906f2">ax</a>;<span class="comment"></span></div>
<div class="line"><a name="l00119"></a><span class="lineno"> 119</span>&#160;<span class="comment"> /** The maximum x coordinate of the container. */</span></div>
<div class="line"><a name="l00120"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#afd9b8e6b3c6bb4376d1f755ef7ac789d"> 120</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__base.html#afd9b8e6b3c6bb4376d1f755ef7ac789d">bx</a>;<span class="comment"></span></div>
<div class="line"><a name="l00121"></a><span class="lineno"> 121</span>&#160;<span class="comment"> /** The minimum y coordinate of the container. */</span></div>
<div class="line"><a name="l00122"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#ab64ef06e1e257e83a33422a044ef9858"> 122</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__base.html#ab64ef06e1e257e83a33422a044ef9858">ay</a>;<span class="comment"></span></div>
<div class="line"><a name="l00123"></a><span class="lineno"> 123</span>&#160;<span class="comment"> /** The maximum y coordinate of the container. */</span></div>
<div class="line"><a name="l00124"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#ae769a416d7a5520eddf026cec6f7fda6"> 124</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__base.html#ae769a416d7a5520eddf026cec6f7fda6">by</a>;<span class="comment"></span></div>
<div class="line"><a name="l00125"></a><span class="lineno"> 125</span>&#160;<span class="comment"> /** The minimum z coordinate of the container. */</span></div>
<div class="line"><a name="l00126"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a78d795a863e401a5fc565c7dec31b6a6"> 126</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__base.html#a78d795a863e401a5fc565c7dec31b6a6">az</a>;<span class="comment"></span></div>
<div class="line"><a name="l00127"></a><span class="lineno"> 127</span>&#160;<span class="comment"> /** The maximum z coordinate of the container. */</span></div>
<div class="line"><a name="l00128"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a27de2088113bb64a4b045bea7c590be3"> 128</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__base.html#a27de2088113bb64a4b045bea7c590be3">bz</a>;<span class="comment"></span></div>
<div class="line"><a name="l00129"></a><span class="lineno"> 129</span>&#160;<span class="comment"> /** A boolean value that determines if the x coordinate in</span></div>
<div class="line"><a name="l00130"></a><span class="lineno"> 130</span>&#160;<span class="comment"> * periodic or not. */</span></div>
<div class="line"><a name="l00131"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a6734b7147a71bb7e2a4a313d4153bebf"> 131</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__base.html#a6734b7147a71bb7e2a4a313d4153bebf">xperiodic</a>;<span class="comment"></span></div>
<div class="line"><a name="l00132"></a><span class="lineno"> 132</span>&#160;<span class="comment"> /** A boolean value that determines if the y coordinate in</span></div>
<div class="line"><a name="l00133"></a><span class="lineno"> 133</span>&#160;<span class="comment"> * periodic or not. */</span></div>
<div class="line"><a name="l00134"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a05a979d24c3d0fefe9f5cd96174863f8"> 134</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__base.html#a05a979d24c3d0fefe9f5cd96174863f8">yperiodic</a>;<span class="comment"></span></div>
<div class="line"><a name="l00135"></a><span class="lineno"> 135</span>&#160;<span class="comment"> /** A boolean value that determines if the z coordinate in</span></div>
<div class="line"><a name="l00136"></a><span class="lineno"> 136</span>&#160;<span class="comment"> * periodic or not. */</span></div>
<div class="line"><a name="l00137"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#acd3bdff20b8b11a3e606e5581ebf3c06"> 137</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__base.html#acd3bdff20b8b11a3e606e5581ebf3c06">zperiodic</a>;<span class="comment"></span></div>
<div class="line"><a name="l00138"></a><span class="lineno"> 138</span>&#160;<span class="comment"> /** This array holds the numerical IDs of each particle in each</span></div>
<div class="line"><a name="l00139"></a><span class="lineno"> 139</span>&#160;<span class="comment"> * computational box. */</span></div>
<div class="line"><a name="l00140"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a50de485630d0b693fb418be1726826a7"> 140</a></span>&#160; <span class="keywordtype">int</span> **<a class="code" href="classvoro_1_1container__base.html#a50de485630d0b693fb418be1726826a7">id</a>;<span class="comment"></span></div>
<div class="line"><a name="l00141"></a><span class="lineno"> 141</span>&#160;<span class="comment"> /** A two dimensional array holding particle positions. For the</span></div>
<div class="line"><a name="l00142"></a><span class="lineno"> 142</span>&#160;<span class="comment"> * derived container_poly class, this also holds particle</span></div>
<div class="line"><a name="l00143"></a><span class="lineno"> 143</span>&#160;<span class="comment"> * radii. */</span></div>
<div class="line"><a name="l00144"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5"> 144</a></span>&#160; <span class="keywordtype">double</span> **<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>;<span class="comment"></span></div>
<div class="line"><a name="l00145"></a><span class="lineno"> 145</span>&#160;<span class="comment"> /** This array holds the number of particles within each</span></div>
<div class="line"><a name="l00146"></a><span class="lineno"> 146</span>&#160;<span class="comment"> * computational box of the container. */</span></div>
<div class="line"><a name="l00147"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a987e612ffd2c459adf8c1784d308ef51"> 147</a></span>&#160; <span class="keywordtype">int</span> *<a class="code" href="classvoro_1_1container__base.html#a987e612ffd2c459adf8c1784d308ef51">co</a>;<span class="comment"></span></div>
<div class="line"><a name="l00148"></a><span class="lineno"> 148</span>&#160;<span class="comment"> /** This array holds the maximum amount of particle memory for</span></div>
<div class="line"><a name="l00149"></a><span class="lineno"> 149</span>&#160;<span class="comment"> * each computational box of the container. If the number of</span></div>
<div class="line"><a name="l00150"></a><span class="lineno"> 150</span>&#160;<span class="comment"> * particles in a particular box ever approaches this limit,</span></div>
<div class="line"><a name="l00151"></a><span class="lineno"> 151</span>&#160;<span class="comment"> * more is allocated using the add_particle_memory() function.</span></div>
<div class="line"><a name="l00152"></a><span class="lineno"> 152</span>&#160;<span class="comment"> */</span></div>
<div class="line"><a name="l00153"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a633edc1737859a7dde8ca2e466e12cfe"> 153</a></span>&#160; <span class="keywordtype">int</span> *<a class="code" href="classvoro_1_1container__base.html#a633edc1737859a7dde8ca2e466e12cfe">mem</a>;<span class="comment"></span></div>
<div class="line"><a name="l00154"></a><span class="lineno"> 154</span>&#160;<span class="comment"> /** The amount of memory in the array structure for each</span></div>
<div class="line"><a name="l00155"></a><span class="lineno"> 155</span>&#160;<span class="comment"> * particle. This is set to 3 when the basic class is</span></div>
<div class="line"><a name="l00156"></a><span class="lineno"> 156</span>&#160;<span class="comment"> * initialized, so that the array holds (x,y,z) positions. If</span></div>
<div class="line"><a name="l00157"></a><span class="lineno"> 157</span>&#160;<span class="comment"> * the container class is initialized as part of the derived</span></div>
<div class="line"><a name="l00158"></a><span class="lineno"> 158</span>&#160;<span class="comment"> * class container_poly, then this is set to 4, to also hold</span></div>
<div class="line"><a name="l00159"></a><span class="lineno"> 159</span>&#160;<span class="comment"> * the particle radii. */</span></div>
<div class="line"><a name="l00160"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba"> 160</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba">ps</a>;</div>
<div class="line"><a name="l00161"></a><span class="lineno"> 161</span>&#160; <a class="code" href="classvoro_1_1container__base.html#a2f7bde3ec593d9f4b8c9ceb67b56f62f">container_base</a>(<span class="keywordtype">double</span> ax_,<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> ay_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> az_,<span class="keywordtype">double</span> bz_,</div>
<div class="line"><a name="l00162"></a><span class="lineno"> 162</span>&#160; <span class="keywordtype">int</span> nx_,<span class="keywordtype">int</span> ny_,<span class="keywordtype">int</span> nz_,<span class="keywordtype">bool</span> xperiodic_,<span class="keywordtype">bool</span> yperiodic_,<span class="keywordtype">bool</span> zperiodic_,</div>
<div class="line"><a name="l00163"></a><span class="lineno"> 163</span>&#160; <span class="keywordtype">int</span> init_mem,<span class="keywordtype">int</span> ps_);</div>
<div class="line"><a name="l00164"></a><span class="lineno"> 164</span>&#160; <a class="code" href="classvoro_1_1container__base.html#a624a890b979cc8f989778e0b627bad44">~container_base</a>();</div>
<div class="line"><a name="l00165"></a><span class="lineno"> 165</span>&#160; <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__base.html#a290c21ba694d02231d49d14881dfcfd1">point_inside</a>(<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z);</div>
<div class="line"><a name="l00166"></a><span class="lineno"> 166</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__base.html#ac1205c5c189d3dd72057c4cf9fa8891d">region_count</a>();<span class="comment"></span></div>
<div class="line"><a name="l00167"></a><span class="lineno"> 167</span>&#160;<span class="comment"> /** Initializes the Voronoi cell prior to a compute_cell</span></div>
<div class="line"><a name="l00168"></a><span class="lineno"> 168</span>&#160;<span class="comment"> * operation for a specific particle being carried out by a</span></div>
<div class="line"><a name="l00169"></a><span class="lineno"> 169</span>&#160;<span class="comment"> * voro_compute class. The cell is initialized to fill the</span></div>
<div class="line"><a name="l00170"></a><span class="lineno"> 170</span>&#160;<span class="comment"> * entire container. For non-periodic coordinates, this is set</span></div>
<div class="line"><a name="l00171"></a><span class="lineno"> 171</span>&#160;<span class="comment"> * by the position of the walls. For periodic coordinates, the</span></div>
<div class="line"><a name="l00172"></a><span class="lineno"> 172</span>&#160;<span class="comment"> * space is equally divided in either direction from the</span></div>
<div class="line"><a name="l00173"></a><span class="lineno"> 173</span>&#160;<span class="comment"> * particle&#39;s initial position. Plane cuts made by any walls</span></div>
<div class="line"><a name="l00174"></a><span class="lineno"> 174</span>&#160;<span class="comment"> * that have been added are then applied to the cell.</span></div>
<div class="line"><a name="l00175"></a><span class="lineno"> 175</span>&#160;<span class="comment"> * \param[in,out] c a reference to a voronoicell object.</span></div>
<div class="line"><a name="l00176"></a><span class="lineno"> 176</span>&#160;<span class="comment"> * \param[in] ijk the block that the particle is within.</span></div>
<div class="line"><a name="l00177"></a><span class="lineno"> 177</span>&#160;<span class="comment"> * \param[in] q the index of the particle within its block.</span></div>
<div class="line"><a name="l00178"></a><span class="lineno"> 178</span>&#160;<span class="comment"> * \param[in] (ci,cj,ck) the coordinates of the block in the</span></div>
<div class="line"><a name="l00179"></a><span class="lineno"> 179</span>&#160;<span class="comment"> * container coordinate system.</span></div>
<div class="line"><a name="l00180"></a><span class="lineno"> 180</span>&#160;<span class="comment"> * \param[out] (i,j,k) the coordinates of the test block</span></div>
<div class="line"><a name="l00181"></a><span class="lineno"> 181</span>&#160;<span class="comment"> * relative to the voro_compute</span></div>
<div class="line"><a name="l00182"></a><span class="lineno"> 182</span>&#160;<span class="comment"> * coordinate system.</span></div>
<div class="line"><a name="l00183"></a><span class="lineno"> 183</span>&#160;<span class="comment"> * \param[out] (x,y,z) the position of the particle.</span></div>
<div class="line"><a name="l00184"></a><span class="lineno"> 184</span>&#160;<span class="comment"> * \param[out] disp a block displacement used internally by the</span></div>
<div class="line"><a name="l00185"></a><span class="lineno"> 185</span>&#160;<span class="comment"> * compute_cell routine.</span></div>
<div class="line"><a name="l00186"></a><span class="lineno"> 186</span>&#160;<span class="comment"> * \return False if the plane cuts applied by walls completely</span></div>
<div class="line"><a name="l00187"></a><span class="lineno"> 187</span>&#160;<span class="comment"> * removed the cell, true otherwise. */</span></div>
<div class="line"><a name="l00188"></a><span class="lineno"> 188</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> v_cell&gt;</div>
<div class="line"><a name="l00189"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#af6d18399db1c92816296bc70af8440b5"> 189</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__base.html#af6d18399db1c92816296bc70af8440b5">initialize_voronoicell</a>(v_cell &amp;c,<span class="keywordtype">int</span> ijk,<span class="keywordtype">int</span> q,<span class="keywordtype">int</span> ci,<span class="keywordtype">int</span> cj,<span class="keywordtype">int</span> ck,</div>
<div class="line"><a name="l00190"></a><span class="lineno"> 190</span>&#160; <span class="keywordtype">int</span> &amp;i,<span class="keywordtype">int</span> &amp;j,<span class="keywordtype">int</span> &amp;k,<span class="keywordtype">double</span> &amp;x,<span class="keywordtype">double</span> &amp;y,<span class="keywordtype">double</span> &amp;z,<span class="keywordtype">int</span> &amp;disp) {</div>
<div class="line"><a name="l00191"></a><span class="lineno"> 191</span>&#160; <span class="keywordtype">double</span> x1,x2,y1,y2,z1,z2,*pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[ijk]+<a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba">ps</a>*q;</div>
<div class="line"><a name="l00192"></a><span class="lineno"> 192</span>&#160; x=*(pp++);y=*(pp++);z=*pp;</div>
<div class="line"><a name="l00193"></a><span class="lineno"> 193</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__base.html#a6734b7147a71bb7e2a4a313d4153bebf">xperiodic</a>) {x1=-(x2=0.5*(<a class="code" href="classvoro_1_1container__base.html#afd9b8e6b3c6bb4376d1f755ef7ac789d">bx</a>-<a class="code" href="classvoro_1_1container__base.html#ab33ca2a8d7282d65a731d854d27906f2">ax</a>));i=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;} <span class="keywordflow">else</span> {x1=<a class="code" href="classvoro_1_1container__base.html#ab33ca2a8d7282d65a731d854d27906f2">ax</a>-x;x2=<a class="code" href="classvoro_1_1container__base.html#afd9b8e6b3c6bb4376d1f755ef7ac789d">bx</a>-x;i=ci;}</div>
<div class="line"><a name="l00194"></a><span class="lineno"> 194</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__base.html#a05a979d24c3d0fefe9f5cd96174863f8">yperiodic</a>) {y1=-(y2=0.5*(<a class="code" href="classvoro_1_1container__base.html#ae769a416d7a5520eddf026cec6f7fda6">by</a>-<a class="code" href="classvoro_1_1container__base.html#ab64ef06e1e257e83a33422a044ef9858">ay</a>));j=<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;} <span class="keywordflow">else</span> {y1=<a class="code" href="classvoro_1_1container__base.html#ab64ef06e1e257e83a33422a044ef9858">ay</a>-y;y2=<a class="code" href="classvoro_1_1container__base.html#ae769a416d7a5520eddf026cec6f7fda6">by</a>-y;j=cj;}</div>
<div class="line"><a name="l00195"></a><span class="lineno"> 195</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__base.html#acd3bdff20b8b11a3e606e5581ebf3c06">zperiodic</a>) {z1=-(z2=0.5*(<a class="code" href="classvoro_1_1container__base.html#a27de2088113bb64a4b045bea7c590be3">bz</a>-<a class="code" href="classvoro_1_1container__base.html#a78d795a863e401a5fc565c7dec31b6a6">az</a>));k=<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;} <span class="keywordflow">else</span> {z1=<a class="code" href="classvoro_1_1container__base.html#a78d795a863e401a5fc565c7dec31b6a6">az</a>-z;z2=<a class="code" href="classvoro_1_1container__base.html#a27de2088113bb64a4b045bea7c590be3">bz</a>-z;k=ck;}</div>
<div class="line"><a name="l00196"></a><span class="lineno"> 196</span>&#160; c.init(x1,x2,y1,y2,z1,z2);</div>
<div class="line"><a name="l00197"></a><span class="lineno"> 197</span>&#160; <span class="keywordflow">if</span>(!<a class="code" href="classvoro_1_1wall__list.html#ae3d367bca20c8d5714e2978ed67fe019">apply_walls</a>(c,x,y,z)) <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
<div class="line"><a name="l00198"></a><span class="lineno"> 198</span>&#160; disp=ijk-i-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(j+<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>*k);</div>
<div class="line"><a name="l00199"></a><span class="lineno"> 199</span>&#160; <span class="keywordflow">return</span> <span class="keyword">true</span>;</div>
<div class="line"><a name="l00200"></a><span class="lineno"> 200</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00201"></a><span class="lineno"> 201</span>&#160;<span class="comment"> /** Initializes parameters for a find_voronoi_cell call within</span></div>
<div class="line"><a name="l00202"></a><span class="lineno"> 202</span>&#160;<span class="comment"> * the voro_compute template.</span></div>
<div class="line"><a name="l00203"></a><span class="lineno"> 203</span>&#160;<span class="comment"> * \param[in] (ci,cj,ck) the coordinates of the test block in</span></div>
<div class="line"><a name="l00204"></a><span class="lineno"> 204</span>&#160;<span class="comment"> * the container coordinate system.</span></div>
<div class="line"><a name="l00205"></a><span class="lineno"> 205</span>&#160;<span class="comment"> * \param[in] ijk the index of the test block</span></div>
<div class="line"><a name="l00206"></a><span class="lineno"> 206</span>&#160;<span class="comment"> * \param[out] (i,j,k) the coordinates of the test block</span></div>
<div class="line"><a name="l00207"></a><span class="lineno"> 207</span>&#160;<span class="comment"> * relative to the voro_compute</span></div>
<div class="line"><a name="l00208"></a><span class="lineno"> 208</span>&#160;<span class="comment"> * coordinate system.</span></div>
<div class="line"><a name="l00209"></a><span class="lineno"> 209</span>&#160;<span class="comment"> * \param[out] disp a block displacement used internally by the</span></div>
<div class="line"><a name="l00210"></a><span class="lineno"> 210</span>&#160;<span class="comment"> * find_voronoi_cell routine. */</span></div>
<div class="line"><a name="l00211"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a30dbb059792c199f2526c13990cd8daf"> 211</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__base.html#a30dbb059792c199f2526c13990cd8daf">initialize_search</a>(<span class="keywordtype">int</span> ci,<span class="keywordtype">int</span> cj,<span class="keywordtype">int</span> ck,<span class="keywordtype">int</span> ijk,<span class="keywordtype">int</span> &amp;i,<span class="keywordtype">int</span> &amp;j,<span class="keywordtype">int</span> &amp;k,<span class="keywordtype">int</span> &amp;disp) {</div>
<div class="line"><a name="l00212"></a><span class="lineno"> 212</span>&#160; i=<a class="code" href="classvoro_1_1container__base.html#a6734b7147a71bb7e2a4a313d4153bebf">xperiodic</a>?<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>:ci;</div>
<div class="line"><a name="l00213"></a><span class="lineno"> 213</span>&#160; j=<a class="code" href="classvoro_1_1container__base.html#a05a979d24c3d0fefe9f5cd96174863f8">yperiodic</a>?<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>:cj;</div>
<div class="line"><a name="l00214"></a><span class="lineno"> 214</span>&#160; k=<a class="code" href="classvoro_1_1container__base.html#acd3bdff20b8b11a3e606e5581ebf3c06">zperiodic</a>?<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>:ck;</div>
<div class="line"><a name="l00215"></a><span class="lineno"> 215</span>&#160; disp=ijk-i-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(j+<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>*k);</div>
<div class="line"><a name="l00216"></a><span class="lineno"> 216</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00217"></a><span class="lineno"> 217</span>&#160;<span class="comment"> /** Returns the position of a particle currently being computed</span></div>
<div class="line"><a name="l00218"></a><span class="lineno"> 218</span>&#160;<span class="comment"> * relative to the computational block that it is within. It is</span></div>
<div class="line"><a name="l00219"></a><span class="lineno"> 219</span>&#160;<span class="comment"> * used to select the optimal worklist entry to use.</span></div>
<div class="line"><a name="l00220"></a><span class="lineno"> 220</span>&#160;<span class="comment"> * \param[in] (x,y,z) the position of the particle.</span></div>
<div class="line"><a name="l00221"></a><span class="lineno"> 221</span>&#160;<span class="comment"> * \param[in] (ci,cj,ck) the block that the particle is within.</span></div>
<div class="line"><a name="l00222"></a><span class="lineno"> 222</span>&#160;<span class="comment"> * \param[out] (fx,fy,fz) the position relative to the block.</span></div>
<div class="line"><a name="l00223"></a><span class="lineno"> 223</span>&#160;<span class="comment"> */</span></div>
<div class="line"><a name="l00224"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a08db44d4d57b8b19f1e101cc40c82e85"> 224</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__base.html#a08db44d4d57b8b19f1e101cc40c82e85">frac_pos</a>(<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">double</span> ci,<span class="keywordtype">double</span> cj,<span class="keywordtype">double</span> ck,</div>
<div class="line"><a name="l00225"></a><span class="lineno"> 225</span>&#160; <span class="keywordtype">double</span> &amp;fx,<span class="keywordtype">double</span> &amp;fy,<span class="keywordtype">double</span> &amp;fz) {</div>
<div class="line"><a name="l00226"></a><span class="lineno"> 226</span>&#160; fx=x-<a class="code" href="classvoro_1_1container__base.html#ab33ca2a8d7282d65a731d854d27906f2">ax</a>-<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>*ci;</div>
<div class="line"><a name="l00227"></a><span class="lineno"> 227</span>&#160; fy=y-<a class="code" href="classvoro_1_1container__base.html#ab64ef06e1e257e83a33422a044ef9858">ay</a>-<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>*cj;</div>
<div class="line"><a name="l00228"></a><span class="lineno"> 228</span>&#160; fz=z-<a class="code" href="classvoro_1_1container__base.html#a78d795a863e401a5fc565c7dec31b6a6">az</a>-<a class="code" href="classvoro_1_1voro__base.html#afd53f018c9641c8b8066e9429c88a4e0">boxz</a>*ck;</div>
<div class="line"><a name="l00229"></a><span class="lineno"> 229</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00230"></a><span class="lineno"> 230</span>&#160;<span class="comment"> /** Calculates the index of block in the container structure</span></div>
<div class="line"><a name="l00231"></a><span class="lineno"> 231</span>&#160;<span class="comment"> * corresponding to given coordinates.</span></div>
<div class="line"><a name="l00232"></a><span class="lineno"> 232</span>&#160;<span class="comment"> * \param[in] (ci,cj,ck) the coordinates of the original block</span></div>
<div class="line"><a name="l00233"></a><span class="lineno"> 233</span>&#160;<span class="comment"> * in the current computation, relative</span></div>
<div class="line"><a name="l00234"></a><span class="lineno"> 234</span>&#160;<span class="comment"> * to the container coordinate system.</span></div>
<div class="line"><a name="l00235"></a><span class="lineno"> 235</span>&#160;<span class="comment"> * \param[in] (ei,ej,ek) the displacement of the current block</span></div>
<div class="line"><a name="l00236"></a><span class="lineno"> 236</span>&#160;<span class="comment"> * from the original block.</span></div>
<div class="line"><a name="l00237"></a><span class="lineno"> 237</span>&#160;<span class="comment"> * \param[in,out] (qx,qy,qz) the periodic displacement that</span></div>
<div class="line"><a name="l00238"></a><span class="lineno"> 238</span>&#160;<span class="comment"> * must be added to the particles</span></div>
<div class="line"><a name="l00239"></a><span class="lineno"> 239</span>&#160;<span class="comment"> * within the computed block.</span></div>
<div class="line"><a name="l00240"></a><span class="lineno"> 240</span>&#160;<span class="comment"> * \param[in] disp a block displacement used internally by the</span></div>
<div class="line"><a name="l00241"></a><span class="lineno"> 241</span>&#160;<span class="comment"> * find_voronoi_cell and compute_cell routines.</span></div>
<div class="line"><a name="l00242"></a><span class="lineno"> 242</span>&#160;<span class="comment"> * \return The block index. */</span></div>
<div class="line"><a name="l00243"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a76b645960fba43620e096b7bdf178603"> 243</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__base.html#a76b645960fba43620e096b7bdf178603">region_index</a>(<span class="keywordtype">int</span> ci,<span class="keywordtype">int</span> cj,<span class="keywordtype">int</span> ck,<span class="keywordtype">int</span> ei,<span class="keywordtype">int</span> ej,<span class="keywordtype">int</span> ek,<span class="keywordtype">double</span> &amp;qx,<span class="keywordtype">double</span> &amp;qy,<span class="keywordtype">double</span> &amp;qz,<span class="keywordtype">int</span> &amp;disp) {</div>
<div class="line"><a name="l00244"></a><span class="lineno"> 244</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__base.html#a6734b7147a71bb7e2a4a313d4153bebf">xperiodic</a>) {<span class="keywordflow">if</span>(ci+ei&lt;<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) {ei+=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;qx=-(<a class="code" href="classvoro_1_1container__base.html#afd9b8e6b3c6bb4376d1f755ef7ac789d">bx</a>-<a class="code" href="classvoro_1_1container__base.html#ab33ca2a8d7282d65a731d854d27906f2">ax</a>);} <span class="keywordflow">else</span> <span class="keywordflow">if</span>(ci+ei&gt;=(<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>&lt;&lt;1)) {ei-=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;qx=<a class="code" href="classvoro_1_1container__base.html#afd9b8e6b3c6bb4376d1f755ef7ac789d">bx</a>-<a class="code" href="classvoro_1_1container__base.html#ab33ca2a8d7282d65a731d854d27906f2">ax</a>;} <span class="keywordflow">else</span> qx=0;}</div>
<div class="line"><a name="l00245"></a><span class="lineno"> 245</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__base.html#a05a979d24c3d0fefe9f5cd96174863f8">yperiodic</a>) {<span class="keywordflow">if</span>(cj+ej&lt;<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>) {ej+=<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;qy=-(<a class="code" href="classvoro_1_1container__base.html#ae769a416d7a5520eddf026cec6f7fda6">by</a>-<a class="code" href="classvoro_1_1container__base.html#ab64ef06e1e257e83a33422a044ef9858">ay</a>);} <span class="keywordflow">else</span> <span class="keywordflow">if</span>(cj+ej&gt;=(<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>&lt;&lt;1)) {ej-=<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;qy=<a class="code" href="classvoro_1_1container__base.html#ae769a416d7a5520eddf026cec6f7fda6">by</a>-<a class="code" href="classvoro_1_1container__base.html#ab64ef06e1e257e83a33422a044ef9858">ay</a>;} <span class="keywordflow">else</span> qy=0;}</div>
<div class="line"><a name="l00246"></a><span class="lineno"> 246</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__base.html#acd3bdff20b8b11a3e606e5581ebf3c06">zperiodic</a>) {<span class="keywordflow">if</span>(ck+ek&lt;<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>) {ek+=<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;qz=-(<a class="code" href="classvoro_1_1container__base.html#a27de2088113bb64a4b045bea7c590be3">bz</a>-<a class="code" href="classvoro_1_1container__base.html#a78d795a863e401a5fc565c7dec31b6a6">az</a>);} <span class="keywordflow">else</span> <span class="keywordflow">if</span>(ck+ek&gt;=(<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>&lt;&lt;1)) {ek-=<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;qz=<a class="code" href="classvoro_1_1container__base.html#a27de2088113bb64a4b045bea7c590be3">bz</a>-<a class="code" href="classvoro_1_1container__base.html#a78d795a863e401a5fc565c7dec31b6a6">az</a>;} <span class="keywordflow">else</span> qz=0;}</div>
<div class="line"><a name="l00247"></a><span class="lineno"> 247</span>&#160; <span class="keywordflow">return</span> disp+ei+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(ej+<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>*ek);</div>
<div class="line"><a name="l00248"></a><span class="lineno"> 248</span>&#160; }</div>
<div class="line"><a name="l00249"></a><span class="lineno"> 249</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__base.html#a67dbf4a79fac8527ccee72d881c6654d">draw_domain_gnuplot</a>(FILE *fp=stdout);<span class="comment"></span></div>
<div class="line"><a name="l00250"></a><span class="lineno"> 250</span>&#160;<span class="comment"> /** Draws an outline of the domain in Gnuplot format.</span></div>
<div class="line"><a name="l00251"></a><span class="lineno"> 251</span>&#160;<span class="comment"> * \param[in] filename the filename to write to. */</span></div>
<div class="line"><a name="l00252"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#a019db0a854b71ac57886155422bb53d6"> 252</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__base.html#a019db0a854b71ac57886155422bb53d6">draw_domain_gnuplot</a>(<span class="keyword">const</span> <span class="keywordtype">char</span>* filename) {</div>
<div class="line"><a name="l00253"></a><span class="lineno"> 253</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00254"></a><span class="lineno"> 254</span>&#160; <a class="code" href="classvoro_1_1container__base.html#a67dbf4a79fac8527ccee72d881c6654d">draw_domain_gnuplot</a>(fp);</div>
<div class="line"><a name="l00255"></a><span class="lineno"> 255</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00256"></a><span class="lineno"> 256</span>&#160; }</div>
<div class="line"><a name="l00257"></a><span class="lineno"> 257</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__base.html#a6ff9d18058ab53c955cd44dea733e4fd">draw_domain_pov</a>(FILE *fp=stdout);<span class="comment"></span></div>
<div class="line"><a name="l00258"></a><span class="lineno"> 258</span>&#160;<span class="comment"> /** Draws an outline of the domain in Gnuplot format.</span></div>
<div class="line"><a name="l00259"></a><span class="lineno"> 259</span>&#160;<span class="comment"> * \param[in] filename the filename to write to. */</span></div>
<div class="line"><a name="l00260"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#aa1c0c293bae52c879eb42035a031d8e8"> 260</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__base.html#aa1c0c293bae52c879eb42035a031d8e8">draw_domain_pov</a>(<span class="keyword">const</span> <span class="keywordtype">char</span>* filename) {</div>
<div class="line"><a name="l00261"></a><span class="lineno"> 261</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00262"></a><span class="lineno"> 262</span>&#160; <a class="code" href="classvoro_1_1container__base.html#a6ff9d18058ab53c955cd44dea733e4fd">draw_domain_pov</a>(fp);</div>
<div class="line"><a name="l00263"></a><span class="lineno"> 263</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00264"></a><span class="lineno"> 264</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00265"></a><span class="lineno"> 265</span>&#160;<span class="comment"> /** Sums up the total number of stored particles.</span></div>
<div class="line"><a name="l00266"></a><span class="lineno"> 266</span>&#160;<span class="comment"> * \return The number of particles. */</span></div>
<div class="line"><a name="l00267"></a><span class="lineno"><a class="code" href="classvoro_1_1container__base.html#ad9fe437b46f1e58908c393955e6d4217"> 267</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__base.html#ad9fe437b46f1e58908c393955e6d4217">total_particles</a>() {</div>
<div class="line"><a name="l00268"></a><span class="lineno"> 268</span>&#160; <span class="keywordtype">int</span> tp=*<a class="code" href="classvoro_1_1container__base.html#a987e612ffd2c459adf8c1784d308ef51">co</a>;</div>
<div class="line"><a name="l00269"></a><span class="lineno"> 269</span>&#160; <span class="keywordflow">for</span>(<span class="keywordtype">int</span> *cop=<a class="code" href="classvoro_1_1container__base.html#a987e612ffd2c459adf8c1784d308ef51">co</a>+1;cop&lt;<a class="code" href="classvoro_1_1container__base.html#a987e612ffd2c459adf8c1784d308ef51">co</a>+<a class="code" href="classvoro_1_1voro__base.html#a4309aca04ab561bd3b3921e9b73016a4">nxyz</a>;cop++) tp+=*cop;</div>
<div class="line"><a name="l00270"></a><span class="lineno"> 270</span>&#160; <span class="keywordflow">return</span> tp;</div>
<div class="line"><a name="l00271"></a><span class="lineno"> 271</span>&#160; }</div>
<div class="line"><a name="l00272"></a><span class="lineno"> 272</span>&#160; <span class="keyword">protected</span>:</div>
<div class="line"><a name="l00273"></a><span class="lineno"> 273</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__base.html#aa0fe8c92c66463236a05924d466256da">add_particle_memory</a>(<span class="keywordtype">int</span> i);</div>
<div class="line"><a name="l00274"></a><span class="lineno"> 274</span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__base.html#a1ab1b31f6fcd3080cc9fd0948df61e1a">put_locate_block</a>(<span class="keywordtype">int</span> &amp;ijk,<span class="keywordtype">double</span> &amp;x,<span class="keywordtype">double</span> &amp;y,<span class="keywordtype">double</span> &amp;z);</div>
<div class="line"><a name="l00275"></a><span class="lineno"> 275</span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__base.html#af070c53156c75171a13dacb2ef2148aa">put_remap</a>(<span class="keywordtype">int</span> &amp;ijk,<span class="keywordtype">double</span> &amp;x,<span class="keywordtype">double</span> &amp;y,<span class="keywordtype">double</span> &amp;z);</div>
<div class="line"><a name="l00276"></a><span class="lineno"> 276</span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__base.html#abe09747feba40102470c91f93d25fbfc">remap</a>(<span class="keywordtype">int</span> &amp;ai,<span class="keywordtype">int</span> &amp;aj,<span class="keywordtype">int</span> &amp;ak,<span class="keywordtype">int</span> &amp;ci,<span class="keywordtype">int</span> &amp;cj,<span class="keywordtype">int</span> &amp;ck,<span class="keywordtype">double</span> &amp;x,<span class="keywordtype">double</span> &amp;y,<span class="keywordtype">double</span> &amp;z,<span class="keywordtype">int</span> &amp;ijk);</div>
<div class="line"><a name="l00277"></a><span class="lineno"> 277</span>&#160;};</div>
<div class="line"><a name="l00278"></a><span class="lineno"> 278</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00279"></a><span class="lineno"> 279</span>&#160;<span class="comment">/** \brief Extension of the container_base class for computing regular Voronoi</span></div>
<div class="line"><a name="l00280"></a><span class="lineno"> 280</span>&#160;<span class="comment"> * tessellations.</span></div>
<div class="line"><a name="l00281"></a><span class="lineno"> 281</span>&#160;<span class="comment"> *</span></div>
<div class="line"><a name="l00282"></a><span class="lineno"> 282</span>&#160;<span class="comment"> * This class is an extension of the container_base class that has routines</span></div>
<div class="line"><a name="l00283"></a><span class="lineno"> 283</span>&#160;<span class="comment"> * specifically for computing the regular Voronoi tessellation with no</span></div>
<div class="line"><a name="l00284"></a><span class="lineno"> 284</span>&#160;<span class="comment"> * dependence on particle radii. */</span></div>
<div class="line"><a name="l00285"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html"> 285</a></span>&#160;<span class="keyword">class </span><a class="code" href="classvoro_1_1container.html" title="Extension of the container_base class for computing regular Voronoi tessellations.">container</a> : <span class="keyword">public</span> <a class="code" href="classvoro_1_1container__base.html" title="Class for representing a particle system in a three-dimensional rectangular box.">container_base</a>, <span class="keyword">public</span> <a class="code" href="classvoro_1_1radius__mono.html" title="Class containing all of the routines that are specific to computing the regular Voronoi tessellation...">radius_mono</a> {</div>
<div class="line"><a name="l00286"></a><span class="lineno"> 286</span>&#160; <span class="keyword">public</span>:</div>
<div class="line"><a name="l00287"></a><span class="lineno"> 287</span>&#160; <a class="code" href="classvoro_1_1container.html#a50aaf382a069b102930b88976215818f">container</a>(<span class="keywordtype">double</span> ax_,<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> ay_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> az_,<span class="keywordtype">double</span> bz_,</div>
<div class="line"><a name="l00288"></a><span class="lineno"> 288</span>&#160; <span class="keywordtype">int</span> nx_,<span class="keywordtype">int</span> ny_,<span class="keywordtype">int</span> nz_,<span class="keywordtype">bool</span> xperiodic_,<span class="keywordtype">bool</span> yperiodic_,<span class="keywordtype">bool</span> zperiodic_,<span class="keywordtype">int</span> init_mem);</div>
<div class="line"><a name="l00289"></a><span class="lineno"> 289</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a0890eac6d9f02b8d7b8e41a8a98ff2ee">clear</a>();</div>
<div class="line"><a name="l00290"></a><span class="lineno"> 290</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a5c67c9998e4f174fb217967dcb41c7f3">put</a>(<span class="keywordtype">int</span> n,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z);</div>
<div class="line"><a name="l00291"></a><span class="lineno"> 291</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a5c67c9998e4f174fb217967dcb41c7f3">put</a>(<a class="code" href="classvoro_1_1particle__order.html" title="A class for storing ordering information when particles are added to a container.">particle_order</a> &amp;vo,<span class="keywordtype">int</span> n,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z);</div>
<div class="line"><a name="l00292"></a><span class="lineno"> 292</span>&#160; <span class="keywordtype">void</span> <span class="keyword">import</span>(FILE *fp=stdin);</div>
<div class="line"><a name="l00293"></a><span class="lineno"> 293</span>&#160; <span class="keywordtype">void</span> <span class="keyword">import</span>(<a class="code" href="classvoro_1_1particle__order.html" title="A class for storing ordering information when particles are added to a container.">particle_order</a> &amp;vo,FILE *fp=stdin);<span class="comment"></span></div>
<div class="line"><a name="l00294"></a><span class="lineno"> 294</span>&#160;<span class="comment"> /** Imports a list of particles from an open file stream into</span></div>
<div class="line"><a name="l00295"></a><span class="lineno"> 295</span>&#160;<span class="comment"> * the container. Entries of four numbers (Particle ID, x</span></div>
<div class="line"><a name="l00296"></a><span class="lineno"> 296</span>&#160;<span class="comment"> * position, y position, z position) are searched for. If the</span></div>
<div class="line"><a name="l00297"></a><span class="lineno"> 297</span>&#160;<span class="comment"> * file cannot be successfully read, then the routine causes a</span></div>
<div class="line"><a name="l00298"></a><span class="lineno"> 298</span>&#160;<span class="comment"> * fatal error.</span></div>
<div class="line"><a name="l00299"></a><span class="lineno"> 299</span>&#160;<span class="comment"> * \param[in] filename the name of the file to open and read</span></div>
<div class="line"><a name="l00300"></a><span class="lineno"> 300</span>&#160;<span class="comment"> * from. */</span></div>
<div class="line"><a name="l00301"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#a74d328c0a3f574668ff5dd9e34d22f1f"> 301</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <span class="keyword">import</span>(<span class="keyword">const</span> <span class="keywordtype">char</span>* filename) {</div>
<div class="line"><a name="l00302"></a><span class="lineno"> 302</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;r&quot;</span>);</div>
<div class="line"><a name="l00303"></a><span class="lineno"> 303</span>&#160; <span class="keyword">import</span>(fp);</div>
<div class="line"><a name="l00304"></a><span class="lineno"> 304</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00305"></a><span class="lineno"> 305</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00306"></a><span class="lineno"> 306</span>&#160;<span class="comment"> /** Imports a list of particles from an open file stream into</span></div>
<div class="line"><a name="l00307"></a><span class="lineno"> 307</span>&#160;<span class="comment"> * the container. Entries of four numbers (Particle ID, x</span></div>
<div class="line"><a name="l00308"></a><span class="lineno"> 308</span>&#160;<span class="comment"> * position, y position, z position) are searched for. In</span></div>
<div class="line"><a name="l00309"></a><span class="lineno"> 309</span>&#160;<span class="comment"> * addition, the order in which particles are read is saved</span></div>
<div class="line"><a name="l00310"></a><span class="lineno"> 310</span>&#160;<span class="comment"> * into an ordering class. If the file cannot be successfully</span></div>
<div class="line"><a name="l00311"></a><span class="lineno"> 311</span>&#160;<span class="comment"> * read, then the routine causes a fatal error.</span></div>
<div class="line"><a name="l00312"></a><span class="lineno"> 312</span>&#160;<span class="comment"> * \param[in,out] vo the ordering class to use.</span></div>
<div class="line"><a name="l00313"></a><span class="lineno"> 313</span>&#160;<span class="comment"> * \param[in] filename the name of the file to open and read</span></div>
<div class="line"><a name="l00314"></a><span class="lineno"> 314</span>&#160;<span class="comment"> * from. */</span></div>
<div class="line"><a name="l00315"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#acd9da3dc12eecccd5db8af5ff111222c"> 315</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <span class="keyword">import</span>(<a class="code" href="classvoro_1_1particle__order.html" title="A class for storing ordering information when particles are added to a container.">particle_order</a> &amp;vo,<span class="keyword">const</span> <span class="keywordtype">char</span>* filename) {</div>
<div class="line"><a name="l00316"></a><span class="lineno"> 316</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;r&quot;</span>);</div>
<div class="line"><a name="l00317"></a><span class="lineno"> 317</span>&#160; <span class="keyword">import</span>(vo,fp);</div>
<div class="line"><a name="l00318"></a><span class="lineno"> 318</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00319"></a><span class="lineno"> 319</span>&#160; }</div>
<div class="line"><a name="l00320"></a><span class="lineno"> 320</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a2757cfc62be2f0496eddd0fccbc14ba6">compute_all_cells</a>();</div>
<div class="line"><a name="l00321"></a><span class="lineno"> 321</span>&#160; <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container.html#accce43f61281a3c5d69893ad5187e3ec">sum_cell_volumes</a>();<span class="comment"></span></div>
<div class="line"><a name="l00322"></a><span class="lineno"> 322</span>&#160;<span class="comment"> /** Dumps particle IDs and positions to a file.</span></div>
<div class="line"><a name="l00323"></a><span class="lineno"> 323</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00324"></a><span class="lineno"> 324</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00325"></a><span class="lineno"> 325</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00326"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#a39c6928b9e5d4351b01df6bbd4b8b72c"> 326</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a39c6928b9e5d4351b01df6bbd4b8b72c">draw_particles</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00327"></a><span class="lineno"> 327</span>&#160; <span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00328"></a><span class="lineno"> 328</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> {</div>
<div class="line"><a name="l00329"></a><span class="lineno"> 329</span>&#160; pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[vl.ijk]+3*vl.q;</div>
<div class="line"><a name="l00330"></a><span class="lineno"> 330</span>&#160; fprintf(fp,<span class="stringliteral">&quot;%d %g %g %g\n&quot;</span>,<span class="keywordtype">id</span>[vl.ijk][vl.q],*pp,pp[1],pp[2]);</div>
<div class="line"><a name="l00331"></a><span class="lineno"> 331</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00332"></a><span class="lineno"> 332</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00333"></a><span class="lineno"> 333</span>&#160;<span class="comment"> /** Dumps all of the particle IDs and positions to a file.</span></div>
<div class="line"><a name="l00334"></a><span class="lineno"> 334</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00335"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#acf0d0e3a7cfb9c7445e99afc57dbee94"> 335</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#acf0d0e3a7cfb9c7445e99afc57dbee94">draw_particles</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00336"></a><span class="lineno"> 336</span>&#160; <a class="code" href="classvoro_1_1c__loop__all.html" title="Class for looping over all of the particles in a container.">c_loop_all</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00337"></a><span class="lineno"> 337</span>&#160; <a class="code" href="classvoro_1_1container.html#a39c6928b9e5d4351b01df6bbd4b8b72c">draw_particles</a>(vl,fp);</div>
<div class="line"><a name="l00338"></a><span class="lineno"> 338</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00339"></a><span class="lineno"> 339</span>&#160;<span class="comment"> /** Dumps all of the particle IDs and positions to a file.</span></div>
<div class="line"><a name="l00340"></a><span class="lineno"> 340</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00341"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#a4c5ac89711659787eba011afbee318be"> 341</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a4c5ac89711659787eba011afbee318be">draw_particles</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00342"></a><span class="lineno"> 342</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00343"></a><span class="lineno"> 343</span>&#160; <a class="code" href="classvoro_1_1container.html#a39c6928b9e5d4351b01df6bbd4b8b72c">draw_particles</a>(fp);</div>
<div class="line"><a name="l00344"></a><span class="lineno"> 344</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00345"></a><span class="lineno"> 345</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00346"></a><span class="lineno"> 346</span>&#160;<span class="comment"> /** Dumps particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00347"></a><span class="lineno"> 347</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00348"></a><span class="lineno"> 348</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00349"></a><span class="lineno"> 349</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00350"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#a4bfde4e186de8a12fbb5b5d7f16f9387"> 350</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a4bfde4e186de8a12fbb5b5d7f16f9387">draw_particles_pov</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00351"></a><span class="lineno"> 351</span>&#160; <span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00352"></a><span class="lineno"> 352</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> {</div>
<div class="line"><a name="l00353"></a><span class="lineno"> 353</span>&#160; pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[vl.ijk]+3*vl.q;</div>
<div class="line"><a name="l00354"></a><span class="lineno"> 354</span>&#160; fprintf(fp,<span class="stringliteral">&quot;// id %d\nsphere{&lt;%g,%g,%g&gt;,s}\n&quot;</span>,</div>
<div class="line"><a name="l00355"></a><span class="lineno"> 355</span>&#160; <span class="keywordtype">id</span>[vl.ijk][vl.q],*pp,pp[1],pp[2]);</div>
<div class="line"><a name="l00356"></a><span class="lineno"> 356</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00357"></a><span class="lineno"> 357</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00358"></a><span class="lineno"> 358</span>&#160;<span class="comment"> /** Dumps all particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00359"></a><span class="lineno"> 359</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00360"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#adaebc99132288ce43dab36fe86b5497b"> 360</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#adaebc99132288ce43dab36fe86b5497b">draw_particles_pov</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00361"></a><span class="lineno"> 361</span>&#160; <a class="code" href="classvoro_1_1c__loop__all.html" title="Class for looping over all of the particles in a container.">c_loop_all</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00362"></a><span class="lineno"> 362</span>&#160; <a class="code" href="classvoro_1_1container.html#a4bfde4e186de8a12fbb5b5d7f16f9387">draw_particles_pov</a>(vl,fp);</div>
<div class="line"><a name="l00363"></a><span class="lineno"> 363</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00364"></a><span class="lineno"> 364</span>&#160;<span class="comment"> /** Dumps all particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00365"></a><span class="lineno"> 365</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00366"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#ad90375e99cea7db7c1b82d00853e2659"> 366</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#ad90375e99cea7db7c1b82d00853e2659">draw_particles_pov</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00367"></a><span class="lineno"> 367</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00368"></a><span class="lineno"> 368</span>&#160; <a class="code" href="classvoro_1_1container.html#a4bfde4e186de8a12fbb5b5d7f16f9387">draw_particles_pov</a>(fp);</div>
<div class="line"><a name="l00369"></a><span class="lineno"> 369</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00370"></a><span class="lineno"> 370</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00371"></a><span class="lineno"> 371</span>&#160;<span class="comment"> /** Computes Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00372"></a><span class="lineno"> 372</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00373"></a><span class="lineno"> 373</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00374"></a><span class="lineno"> 374</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00375"></a><span class="lineno"> 375</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00376"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#a13bc3a19033255fb04049288c7cd5818"> 376</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a13bc3a19033255fb04049288c7cd5818">draw_cells_gnuplot</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00377"></a><span class="lineno"> 377</span>&#160; <a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> c;<span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00378"></a><span class="lineno"> 378</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container.html#a9808b60d80f1d3ccc06ebd0a2495ac7a">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00379"></a><span class="lineno"> 379</span>&#160; pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[vl.ijk]+<a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba">ps</a>*vl.q;</div>
<div class="line"><a name="l00380"></a><span class="lineno"> 380</span>&#160; c.<a class="code" href="classvoro_1_1voronoicell__base.html#a1c0657c1d89313089bbd437170c97d46">draw_gnuplot</a>(*pp,pp[1],pp[2],fp);</div>
<div class="line"><a name="l00381"></a><span class="lineno"> 381</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00382"></a><span class="lineno"> 382</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00383"></a><span class="lineno"> 383</span>&#160;<span class="comment"> /** Computes all Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00384"></a><span class="lineno"> 384</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00385"></a><span class="lineno"> 385</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00386"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#a5812915614c26d5e52697902556ed996"> 386</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a5812915614c26d5e52697902556ed996">draw_cells_gnuplot</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00387"></a><span class="lineno"> 387</span>&#160; <a class="code" href="classvoro_1_1c__loop__all.html" title="Class for looping over all of the particles in a container.">c_loop_all</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00388"></a><span class="lineno"> 388</span>&#160; <a class="code" href="classvoro_1_1container.html#a13bc3a19033255fb04049288c7cd5818">draw_cells_gnuplot</a>(vl,fp);</div>
<div class="line"><a name="l00389"></a><span class="lineno"> 389</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00390"></a><span class="lineno"> 390</span>&#160;<span class="comment"> /** Computes all Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00391"></a><span class="lineno"> 391</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00392"></a><span class="lineno"> 392</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00393"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#aa387c1b649fe6eabafe4546ae7410c6b"> 393</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#aa387c1b649fe6eabafe4546ae7410c6b">draw_cells_gnuplot</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00394"></a><span class="lineno"> 394</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00395"></a><span class="lineno"> 395</span>&#160; <a class="code" href="classvoro_1_1container.html#a13bc3a19033255fb04049288c7cd5818">draw_cells_gnuplot</a>(fp);</div>
<div class="line"><a name="l00396"></a><span class="lineno"> 396</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00397"></a><span class="lineno"> 397</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00398"></a><span class="lineno"> 398</span>&#160;<span class="comment"> /** Computes Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00399"></a><span class="lineno"> 399</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00400"></a><span class="lineno"> 400</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00401"></a><span class="lineno"> 401</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00402"></a><span class="lineno"> 402</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00403"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#af39b3d55e12a5b1d6acbab77d762cff3"> 403</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#af39b3d55e12a5b1d6acbab77d762cff3">draw_cells_pov</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00404"></a><span class="lineno"> 404</span>&#160; <a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> c;<span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00405"></a><span class="lineno"> 405</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container.html#a9808b60d80f1d3ccc06ebd0a2495ac7a">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00406"></a><span class="lineno"> 406</span>&#160; fprintf(fp,<span class="stringliteral">&quot;// cell %d\n&quot;</span>,<span class="keywordtype">id</span>[vl.ijk][vl.q]);</div>
<div class="line"><a name="l00407"></a><span class="lineno"> 407</span>&#160; pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[vl.ijk]+<a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba">ps</a>*vl.q;</div>
<div class="line"><a name="l00408"></a><span class="lineno"> 408</span>&#160; c.<a class="code" href="classvoro_1_1voronoicell__base.html#a923ffa62bd5d62070cd29e01f3a1327a">draw_pov</a>(*pp,pp[1],pp[2],fp);</div>
<div class="line"><a name="l00409"></a><span class="lineno"> 409</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00410"></a><span class="lineno"> 410</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00411"></a><span class="lineno"> 411</span>&#160;<span class="comment"> /** Computes all Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00412"></a><span class="lineno"> 412</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00413"></a><span class="lineno"> 413</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00414"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#ac6ec5c8fec1cec5185af19bb21832fcb"> 414</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#ac6ec5c8fec1cec5185af19bb21832fcb">draw_cells_pov</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00415"></a><span class="lineno"> 415</span>&#160; <a class="code" href="classvoro_1_1c__loop__all.html" title="Class for looping over all of the particles in a container.">c_loop_all</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00416"></a><span class="lineno"> 416</span>&#160; <a class="code" href="classvoro_1_1container.html#af39b3d55e12a5b1d6acbab77d762cff3">draw_cells_pov</a>(vl,fp);</div>
<div class="line"><a name="l00417"></a><span class="lineno"> 417</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00418"></a><span class="lineno"> 418</span>&#160;<span class="comment"> /** Computes all Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00419"></a><span class="lineno"> 419</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00420"></a><span class="lineno"> 420</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00421"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#a3f9a6147040c60ff579dcd96c05800c9"> 421</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a3f9a6147040c60ff579dcd96c05800c9">draw_cells_pov</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00422"></a><span class="lineno"> 422</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00423"></a><span class="lineno"> 423</span>&#160; <a class="code" href="classvoro_1_1container.html#af39b3d55e12a5b1d6acbab77d762cff3">draw_cells_pov</a>(fp);</div>
<div class="line"><a name="l00424"></a><span class="lineno"> 424</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00425"></a><span class="lineno"> 425</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00426"></a><span class="lineno"> 426</span>&#160;<span class="comment"> /** Computes the Voronoi cells and saves customized information</span></div>
<div class="line"><a name="l00427"></a><span class="lineno"> 427</span>&#160;<span class="comment"> * about them.</span></div>
<div class="line"><a name="l00428"></a><span class="lineno"> 428</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00429"></a><span class="lineno"> 429</span>&#160;<span class="comment"> * \param[in] format the custom output string to use.</span></div>
<div class="line"><a name="l00430"></a><span class="lineno"> 430</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00431"></a><span class="lineno"> 431</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00432"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#a35c0c0b78ca0ba3fa10e6a9c4eece492"> 432</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a35c0c0b78ca0ba3fa10e6a9c4eece492">print_custom</a>(c_loop &amp;vl,<span class="keyword">const</span> <span class="keywordtype">char</span> *format,FILE *fp) {</div>
<div class="line"><a name="l00433"></a><span class="lineno"> 433</span>&#160; <span class="keywordtype">int</span> ijk,q;<span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00434"></a><span class="lineno"> 434</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1voro__base.html#a95d9ee6c1610afccf265198ae63b5e88">contains_neighbor</a>(format)) {</div>
<div class="line"><a name="l00435"></a><span class="lineno"> 435</span>&#160; <a class="code" href="classvoro_1_1voronoicell__neighbor.html" title="Extension of the voronoicell_base class to represent a Voronoi cell with neighbor information...">voronoicell_neighbor</a> c;</div>
<div class="line"><a name="l00436"></a><span class="lineno"> 436</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container.html#a9808b60d80f1d3ccc06ebd0a2495ac7a">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00437"></a><span class="lineno"> 437</span>&#160; ijk=vl.ijk;q=vl.q;pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[ijk]+<a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba">ps</a>*q;</div>
<div class="line"><a name="l00438"></a><span class="lineno"> 438</span>&#160; c.<a class="code" href="classvoro_1_1voronoicell__base.html#a095c6bfc1b9b7a087d0b35b443e5c023">output_custom</a>(format,<span class="keywordtype">id</span>[ijk][q],*pp,pp[1],pp[2],default_radius,fp);</div>
<div class="line"><a name="l00439"></a><span class="lineno"> 439</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00440"></a><span class="lineno"> 440</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00441"></a><span class="lineno"> 441</span>&#160; <a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> c;</div>
<div class="line"><a name="l00442"></a><span class="lineno"> 442</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container.html#a9808b60d80f1d3ccc06ebd0a2495ac7a">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00443"></a><span class="lineno"> 443</span>&#160; ijk=vl.ijk;q=vl.q;pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[ijk]+<a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba">ps</a>*q;</div>
<div class="line"><a name="l00444"></a><span class="lineno"> 444</span>&#160; c.<a class="code" href="classvoro_1_1voronoicell__base.html#a095c6bfc1b9b7a087d0b35b443e5c023">output_custom</a>(format,<span class="keywordtype">id</span>[ijk][q],*pp,pp[1],pp[2],default_radius,fp);</div>
<div class="line"><a name="l00445"></a><span class="lineno"> 445</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00446"></a><span class="lineno"> 446</span>&#160; }</div>
<div class="line"><a name="l00447"></a><span class="lineno"> 447</span>&#160; }</div>
<div class="line"><a name="l00448"></a><span class="lineno"> 448</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a35c0c0b78ca0ba3fa10e6a9c4eece492">print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,FILE *fp=stdout);</div>
<div class="line"><a name="l00449"></a><span class="lineno"> 449</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container.html#a35c0c0b78ca0ba3fa10e6a9c4eece492">print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,<span class="keyword">const</span> <span class="keywordtype">char</span> *filename);</div>
<div class="line"><a name="l00450"></a><span class="lineno"> 450</span>&#160; <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container.html#a5e73bd52fe92985962a248fed566737b">find_voronoi_cell</a>(<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">double</span> &amp;rx,<span class="keywordtype">double</span> &amp;ry,<span class="keywordtype">double</span> &amp;rz,<span class="keywordtype">int</span> &amp;pid);<span class="comment"></span></div>
<div class="line"><a name="l00451"></a><span class="lineno"> 451</span>&#160;<span class="comment"> /** Computes the Voronoi cell for a particle currently being</span></div>
<div class="line"><a name="l00452"></a><span class="lineno"> 452</span>&#160;<span class="comment"> * referenced by a loop class.</span></div>
<div class="line"><a name="l00453"></a><span class="lineno"> 453</span>&#160;<span class="comment"> * \param[out] c a Voronoi cell class in which to store the</span></div>
<div class="line"><a name="l00454"></a><span class="lineno"> 454</span>&#160;<span class="comment"> * computed cell.</span></div>
<div class="line"><a name="l00455"></a><span class="lineno"> 455</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00456"></a><span class="lineno"> 456</span>&#160;<span class="comment"> * \return True if the cell was computed. If the cell cannot be</span></div>
<div class="line"><a name="l00457"></a><span class="lineno"> 457</span>&#160;<span class="comment"> * computed, if it is removed entirely by a wall or boundary</span></div>
<div class="line"><a name="l00458"></a><span class="lineno"> 458</span>&#160;<span class="comment"> * condition, then the routine returns false. */</span></div>
<div class="line"><a name="l00459"></a><span class="lineno"> 459</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> v_cell,<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00460"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#a9808b60d80f1d3ccc06ebd0a2495ac7a"> 460</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container.html#a9808b60d80f1d3ccc06ebd0a2495ac7a">compute_cell</a>(v_cell &amp;c,c_loop &amp;vl) {</div>
<div class="line"><a name="l00461"></a><span class="lineno"> 461</span>&#160; <span class="keywordflow">return</span> vc.<a class="code" href="classvoro_1_1voro__compute.html#ab08b085875db63f46b0bcecd57bedea9">compute_cell</a>(c,vl.ijk,vl.q,vl.i,vl.j,vl.k);</div>
<div class="line"><a name="l00462"></a><span class="lineno"> 462</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00463"></a><span class="lineno"> 463</span>&#160;<span class="comment"> /** Computes the Voronoi cell for given particle.</span></div>
<div class="line"><a name="l00464"></a><span class="lineno"> 464</span>&#160;<span class="comment"> * \param[out] c a Voronoi cell class in which to store the</span></div>
<div class="line"><a name="l00465"></a><span class="lineno"> 465</span>&#160;<span class="comment"> * computed cell.</span></div>
<div class="line"><a name="l00466"></a><span class="lineno"> 466</span>&#160;<span class="comment"> * \param[in] ijk the block that the particle is within.</span></div>
<div class="line"><a name="l00467"></a><span class="lineno"> 467</span>&#160;<span class="comment"> * \param[in] q the index of the particle within the block.</span></div>
<div class="line"><a name="l00468"></a><span class="lineno"> 468</span>&#160;<span class="comment"> * \return True if the cell was computed. If the cell cannot be</span></div>
<div class="line"><a name="l00469"></a><span class="lineno"> 469</span>&#160;<span class="comment"> * computed, if it is removed entirely by a wall or boundary</span></div>
<div class="line"><a name="l00470"></a><span class="lineno"> 470</span>&#160;<span class="comment"> * condition, then the routine returns false. */</span></div>
<div class="line"><a name="l00471"></a><span class="lineno"> 471</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> v_cell&gt;</div>
<div class="line"><a name="l00472"></a><span class="lineno"><a class="code" href="classvoro_1_1container.html#ad600a135ee01c2f1c08a5b9da58398ad"> 472</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container.html#ad600a135ee01c2f1c08a5b9da58398ad">compute_cell</a>(v_cell &amp;c,<span class="keywordtype">int</span> ijk,<span class="keywordtype">int</span> q) {</div>
<div class="line"><a name="l00473"></a><span class="lineno"> 473</span>&#160; <span class="keywordtype">int</span> k=ijk/<a class="code" href="classvoro_1_1voro__base.html#aad5f41101fce781214d2f0b69487a729">nxy</a>,ijkt=ijk-<a class="code" href="classvoro_1_1voro__base.html#aad5f41101fce781214d2f0b69487a729">nxy</a>*k,j=ijkt/<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>,i=ijkt-j*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;</div>
<div class="line"><a name="l00474"></a><span class="lineno"> 474</span>&#160; <span class="keywordflow">return</span> vc.<a class="code" href="classvoro_1_1voro__compute.html#ab08b085875db63f46b0bcecd57bedea9">compute_cell</a>(c,ijk,q,i,j,k);</div>
<div class="line"><a name="l00475"></a><span class="lineno"> 475</span>&#160; }</div>
<div class="line"><a name="l00476"></a><span class="lineno"> 476</span>&#160; <span class="keyword">private</span>:</div>
<div class="line"><a name="l00477"></a><span class="lineno"> 477</span>&#160; <a class="code" href="classvoro_1_1voro__compute.html">voro_compute&lt;container&gt;</a> vc;</div>
<div class="line"><a name="l00478"></a><span class="lineno"> 478</span>&#160; <span class="keyword">friend</span> <span class="keyword">class </span><a class="code" href="classvoro_1_1voro__compute.html" title="Template for carrying out Voronoi cell computations.">voro_compute</a>&lt;<a class="code" href="classvoro_1_1container.html" title="Extension of the container_base class for computing regular Voronoi tessellations.">container</a>&gt;;</div>
<div class="line"><a name="l00479"></a><span class="lineno"> 479</span>&#160;};</div>
<div class="line"><a name="l00480"></a><span class="lineno"> 480</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00481"></a><span class="lineno"> 481</span>&#160;<span class="comment">/** \brief Extension of the container_base class for computing radical Voronoi</span></div>
<div class="line"><a name="l00482"></a><span class="lineno"> 482</span>&#160;<span class="comment"> * tessellations.</span></div>
<div class="line"><a name="l00483"></a><span class="lineno"> 483</span>&#160;<span class="comment"> *</span></div>
<div class="line"><a name="l00484"></a><span class="lineno"> 484</span>&#160;<span class="comment"> * This class is an extension of container_base class that has routines</span></div>
<div class="line"><a name="l00485"></a><span class="lineno"> 485</span>&#160;<span class="comment"> * specifically for computing the radical Voronoi tessellation that depends on</span></div>
<div class="line"><a name="l00486"></a><span class="lineno"> 486</span>&#160;<span class="comment"> * the particle radii. */</span></div>
<div class="line"><a name="l00487"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html"> 487</a></span>&#160;<span class="keyword">class </span><a class="code" href="classvoro_1_1container__poly.html" title="Extension of the container_base class for computing radical Voronoi tessellations.">container_poly</a> : <span class="keyword">public</span> <a class="code" href="classvoro_1_1container__base.html" title="Class for representing a particle system in a three-dimensional rectangular box.">container_base</a>, <span class="keyword">public</span> <a class="code" href="classvoro_1_1radius__poly.html" title="Class containing all of the routines that are specific to computing the radical Voronoi tessellation...">radius_poly</a> {</div>
<div class="line"><a name="l00488"></a><span class="lineno"> 488</span>&#160; <span class="keyword">public</span>:</div>
<div class="line"><a name="l00489"></a><span class="lineno"> 489</span>&#160; <a class="code" href="classvoro_1_1container__poly.html#a1d782b31e7d6f5b2040ee2d25753cb53">container_poly</a>(<span class="keywordtype">double</span> ax_,<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> ay_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> az_,<span class="keywordtype">double</span> bz_,</div>
<div class="line"><a name="l00490"></a><span class="lineno"> 490</span>&#160; <span class="keywordtype">int</span> nx_,<span class="keywordtype">int</span> ny_,<span class="keywordtype">int</span> nz_,<span class="keywordtype">bool</span> xperiodic_,<span class="keywordtype">bool</span> yperiodic_,<span class="keywordtype">bool</span> zperiodic_,<span class="keywordtype">int</span> init_mem);</div>
<div class="line"><a name="l00491"></a><span class="lineno"> 491</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a0012f95f5666a347e6585efc76b63b83">clear</a>();</div>
<div class="line"><a name="l00492"></a><span class="lineno"> 492</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a61689312fb6f8ee36f1fbb0fe00e4fe3">put</a>(<span class="keywordtype">int</span> n,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">double</span> r);</div>
<div class="line"><a name="l00493"></a><span class="lineno"> 493</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a61689312fb6f8ee36f1fbb0fe00e4fe3">put</a>(<a class="code" href="classvoro_1_1particle__order.html" title="A class for storing ordering information when particles are added to a container.">particle_order</a> &amp;vo,<span class="keywordtype">int</span> n,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">double</span> r);</div>
<div class="line"><a name="l00494"></a><span class="lineno"> 494</span>&#160; <span class="keywordtype">void</span> <span class="keyword">import</span>(FILE *fp=stdin);</div>
<div class="line"><a name="l00495"></a><span class="lineno"> 495</span>&#160; <span class="keywordtype">void</span> <span class="keyword">import</span>(<a class="code" href="classvoro_1_1particle__order.html" title="A class for storing ordering information when particles are added to a container.">particle_order</a> &amp;vo,FILE *fp=stdin);<span class="comment"></span></div>
<div class="line"><a name="l00496"></a><span class="lineno"> 496</span>&#160;<span class="comment"> /** Imports a list of particles from an open file stream into</span></div>
<div class="line"><a name="l00497"></a><span class="lineno"> 497</span>&#160;<span class="comment"> * the container_poly class. Entries of five numbers (Particle</span></div>
<div class="line"><a name="l00498"></a><span class="lineno"> 498</span>&#160;<span class="comment"> * ID, x position, y position, z position, radius) are searched</span></div>
<div class="line"><a name="l00499"></a><span class="lineno"> 499</span>&#160;<span class="comment"> * for. If the file cannot be successfully read, then the</span></div>
<div class="line"><a name="l00500"></a><span class="lineno"> 500</span>&#160;<span class="comment"> * routine causes a fatal error.</span></div>
<div class="line"><a name="l00501"></a><span class="lineno"> 501</span>&#160;<span class="comment"> * \param[in] filename the name of the file to open and read</span></div>
<div class="line"><a name="l00502"></a><span class="lineno"> 502</span>&#160;<span class="comment"> * from. */</span></div>
<div class="line"><a name="l00503"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#a0b8b64b39bab75e3cfc9282a23706bab"> 503</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <span class="keyword">import</span>(<span class="keyword">const</span> <span class="keywordtype">char</span>* filename) {</div>
<div class="line"><a name="l00504"></a><span class="lineno"> 504</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;r&quot;</span>);</div>
<div class="line"><a name="l00505"></a><span class="lineno"> 505</span>&#160; <span class="keyword">import</span>(fp);</div>
<div class="line"><a name="l00506"></a><span class="lineno"> 506</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00507"></a><span class="lineno"> 507</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00508"></a><span class="lineno"> 508</span>&#160;<span class="comment"> /** Imports a list of particles from an open file stream into</span></div>
<div class="line"><a name="l00509"></a><span class="lineno"> 509</span>&#160;<span class="comment"> * the container_poly class. Entries of five numbers (Particle</span></div>
<div class="line"><a name="l00510"></a><span class="lineno"> 510</span>&#160;<span class="comment"> * ID, x position, y position, z position, radius) are searched</span></div>
<div class="line"><a name="l00511"></a><span class="lineno"> 511</span>&#160;<span class="comment"> * for. In addition, the order in which particles are read is</span></div>
<div class="line"><a name="l00512"></a><span class="lineno"> 512</span>&#160;<span class="comment"> * saved into an ordering class. If the file cannot be</span></div>
<div class="line"><a name="l00513"></a><span class="lineno"> 513</span>&#160;<span class="comment"> * successfully read, then the routine causes a fatal error.</span></div>
<div class="line"><a name="l00514"></a><span class="lineno"> 514</span>&#160;<span class="comment"> * \param[in,out] vo the ordering class to use.</span></div>
<div class="line"><a name="l00515"></a><span class="lineno"> 515</span>&#160;<span class="comment"> * \param[in] filename the name of the file to open and read</span></div>
<div class="line"><a name="l00516"></a><span class="lineno"> 516</span>&#160;<span class="comment"> * from. */</span></div>
<div class="line"><a name="l00517"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#af897ea09b80064d4b492862884ba316c"> 517</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <span class="keyword">import</span>(<a class="code" href="classvoro_1_1particle__order.html" title="A class for storing ordering information when particles are added to a container.">particle_order</a> &amp;vo,<span class="keyword">const</span> <span class="keywordtype">char</span>* filename) {</div>
<div class="line"><a name="l00518"></a><span class="lineno"> 518</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;r&quot;</span>);</div>
<div class="line"><a name="l00519"></a><span class="lineno"> 519</span>&#160; <span class="keyword">import</span>(vo,fp);</div>
<div class="line"><a name="l00520"></a><span class="lineno"> 520</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00521"></a><span class="lineno"> 521</span>&#160; }</div>
<div class="line"><a name="l00522"></a><span class="lineno"> 522</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a40a4b63b1ac5980b92ca526ac2183489">compute_all_cells</a>();</div>
<div class="line"><a name="l00523"></a><span class="lineno"> 523</span>&#160; <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__poly.html#a081af78a1c9c863393fd07a548a84a2e">sum_cell_volumes</a>();<span class="comment"></span></div>
<div class="line"><a name="l00524"></a><span class="lineno"> 524</span>&#160;<span class="comment"> /** Dumps particle IDs, positions and radii to a file.</span></div>
<div class="line"><a name="l00525"></a><span class="lineno"> 525</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00526"></a><span class="lineno"> 526</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00527"></a><span class="lineno"> 527</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00528"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#af67af614b2b3ad084dfab83470fa8616"> 528</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#af67af614b2b3ad084dfab83470fa8616">draw_particles</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00529"></a><span class="lineno"> 529</span>&#160; <span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00530"></a><span class="lineno"> 530</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> {</div>
<div class="line"><a name="l00531"></a><span class="lineno"> 531</span>&#160; pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[vl.ijk]+4*vl.q;</div>
<div class="line"><a name="l00532"></a><span class="lineno"> 532</span>&#160; fprintf(fp,<span class="stringliteral">&quot;%d %g %g %g %g\n&quot;</span>,<span class="keywordtype">id</span>[vl.ijk][vl.q],*pp,pp[1],pp[2],pp[3]);</div>
<div class="line"><a name="l00533"></a><span class="lineno"> 533</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00534"></a><span class="lineno"> 534</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00535"></a><span class="lineno"> 535</span>&#160;<span class="comment"> /** Dumps all of the particle IDs, positions and radii to a</span></div>
<div class="line"><a name="l00536"></a><span class="lineno"> 536</span>&#160;<span class="comment"> * file.</span></div>
<div class="line"><a name="l00537"></a><span class="lineno"> 537</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00538"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#a25b1e68cf0ad4f60c7723afc9ad97bb2"> 538</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a25b1e68cf0ad4f60c7723afc9ad97bb2">draw_particles</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00539"></a><span class="lineno"> 539</span>&#160; <a class="code" href="classvoro_1_1c__loop__all.html" title="Class for looping over all of the particles in a container.">c_loop_all</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00540"></a><span class="lineno"> 540</span>&#160; <a class="code" href="classvoro_1_1container__poly.html#af67af614b2b3ad084dfab83470fa8616">draw_particles</a>(vl,fp);</div>
<div class="line"><a name="l00541"></a><span class="lineno"> 541</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00542"></a><span class="lineno"> 542</span>&#160;<span class="comment"> /** Dumps all of the particle IDs, positions and radii to a</span></div>
<div class="line"><a name="l00543"></a><span class="lineno"> 543</span>&#160;<span class="comment"> * file.</span></div>
<div class="line"><a name="l00544"></a><span class="lineno"> 544</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00545"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#a8a20a1a70dd32c3323307be038bebb1d"> 545</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a8a20a1a70dd32c3323307be038bebb1d">draw_particles</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00546"></a><span class="lineno"> 546</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00547"></a><span class="lineno"> 547</span>&#160; <a class="code" href="classvoro_1_1container__poly.html#af67af614b2b3ad084dfab83470fa8616">draw_particles</a>(fp);</div>
<div class="line"><a name="l00548"></a><span class="lineno"> 548</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00549"></a><span class="lineno"> 549</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00550"></a><span class="lineno"> 550</span>&#160;<span class="comment"> /** Dumps particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00551"></a><span class="lineno"> 551</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00552"></a><span class="lineno"> 552</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00553"></a><span class="lineno"> 553</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00554"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#a56313161f9104ef0356238569317a34c"> 554</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a56313161f9104ef0356238569317a34c">draw_particles_pov</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00555"></a><span class="lineno"> 555</span>&#160; <span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00556"></a><span class="lineno"> 556</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> {</div>
<div class="line"><a name="l00557"></a><span class="lineno"> 557</span>&#160; pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[vl.ijk]+4*vl.q;</div>
<div class="line"><a name="l00558"></a><span class="lineno"> 558</span>&#160; fprintf(fp,<span class="stringliteral">&quot;// id %d\nsphere{&lt;%g,%g,%g&gt;,%g}\n&quot;</span>,</div>
<div class="line"><a name="l00559"></a><span class="lineno"> 559</span>&#160; <span class="keywordtype">id</span>[vl.ijk][vl.q],*pp,pp[1],pp[2],pp[3]);</div>
<div class="line"><a name="l00560"></a><span class="lineno"> 560</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00561"></a><span class="lineno"> 561</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00562"></a><span class="lineno"> 562</span>&#160;<span class="comment"> /** Dumps all the particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00563"></a><span class="lineno"> 563</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00564"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#a477ecfe9e0943e71a2e389d7cc85ab20"> 564</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a477ecfe9e0943e71a2e389d7cc85ab20">draw_particles_pov</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00565"></a><span class="lineno"> 565</span>&#160; <a class="code" href="classvoro_1_1c__loop__all.html" title="Class for looping over all of the particles in a container.">c_loop_all</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00566"></a><span class="lineno"> 566</span>&#160; <a class="code" href="classvoro_1_1container__poly.html#a56313161f9104ef0356238569317a34c">draw_particles_pov</a>(vl,fp);</div>
<div class="line"><a name="l00567"></a><span class="lineno"> 567</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00568"></a><span class="lineno"> 568</span>&#160;<span class="comment"> /** Dumps all the particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00569"></a><span class="lineno"> 569</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00570"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#a866cce7547f14634e432d510050962ae"> 570</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a866cce7547f14634e432d510050962ae">draw_particles_pov</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00571"></a><span class="lineno"> 571</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00572"></a><span class="lineno"> 572</span>&#160; <a class="code" href="classvoro_1_1container__poly.html#a56313161f9104ef0356238569317a34c">draw_particles_pov</a>(fp);</div>
<div class="line"><a name="l00573"></a><span class="lineno"> 573</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00574"></a><span class="lineno"> 574</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00575"></a><span class="lineno"> 575</span>&#160;<span class="comment"> /** Computes Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00576"></a><span class="lineno"> 576</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00577"></a><span class="lineno"> 577</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00578"></a><span class="lineno"> 578</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00579"></a><span class="lineno"> 579</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00580"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#ab1efabec22bdbff42302d94620a71937"> 580</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#ab1efabec22bdbff42302d94620a71937">draw_cells_gnuplot</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00581"></a><span class="lineno"> 581</span>&#160; <a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> c;<span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00582"></a><span class="lineno"> 582</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__poly.html#ae01c610b46aad0aae4998697b69a4b1c">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00583"></a><span class="lineno"> 583</span>&#160; pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[vl.ijk]+<a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba">ps</a>*vl.q;</div>
<div class="line"><a name="l00584"></a><span class="lineno"> 584</span>&#160; c.<a class="code" href="classvoro_1_1voronoicell__base.html#a1c0657c1d89313089bbd437170c97d46">draw_gnuplot</a>(*pp,pp[1],pp[2],fp);</div>
<div class="line"><a name="l00585"></a><span class="lineno"> 585</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00586"></a><span class="lineno"> 586</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00587"></a><span class="lineno"> 587</span>&#160;<span class="comment"> /** Compute all Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00588"></a><span class="lineno"> 588</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00589"></a><span class="lineno"> 589</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00590"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#ac0700e38ce6ed742dcb52ab6523b1956"> 590</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#ac0700e38ce6ed742dcb52ab6523b1956">draw_cells_gnuplot</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00591"></a><span class="lineno"> 591</span>&#160; <a class="code" href="classvoro_1_1c__loop__all.html" title="Class for looping over all of the particles in a container.">c_loop_all</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00592"></a><span class="lineno"> 592</span>&#160; <a class="code" href="classvoro_1_1container__poly.html#ab1efabec22bdbff42302d94620a71937">draw_cells_gnuplot</a>(vl,fp);</div>
<div class="line"><a name="l00593"></a><span class="lineno"> 593</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00594"></a><span class="lineno"> 594</span>&#160;<span class="comment"> /** Compute all Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00595"></a><span class="lineno"> 595</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00596"></a><span class="lineno"> 596</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00597"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#ad360a8ec2c8d59b69b65f34fdba92887"> 597</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#ad360a8ec2c8d59b69b65f34fdba92887">draw_cells_gnuplot</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00598"></a><span class="lineno"> 598</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00599"></a><span class="lineno"> 599</span>&#160; <a class="code" href="classvoro_1_1container__poly.html#ab1efabec22bdbff42302d94620a71937">draw_cells_gnuplot</a>(fp);</div>
<div class="line"><a name="l00600"></a><span class="lineno"> 600</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00601"></a><span class="lineno"> 601</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00602"></a><span class="lineno"> 602</span>&#160;<span class="comment"> /** Computes Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00603"></a><span class="lineno"> 603</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00604"></a><span class="lineno"> 604</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00605"></a><span class="lineno"> 605</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00606"></a><span class="lineno"> 606</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00607"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#aaaddce8c16e4df211db3cbe9f9ca83de"> 607</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#aaaddce8c16e4df211db3cbe9f9ca83de">draw_cells_pov</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00608"></a><span class="lineno"> 608</span>&#160; <a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> c;<span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00609"></a><span class="lineno"> 609</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__poly.html#ae01c610b46aad0aae4998697b69a4b1c">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00610"></a><span class="lineno"> 610</span>&#160; fprintf(fp,<span class="stringliteral">&quot;// cell %d\n&quot;</span>,<span class="keywordtype">id</span>[vl.ijk][vl.q]);</div>
<div class="line"><a name="l00611"></a><span class="lineno"> 611</span>&#160; pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[vl.ijk]+<a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba">ps</a>*vl.q;</div>
<div class="line"><a name="l00612"></a><span class="lineno"> 612</span>&#160; c.<a class="code" href="classvoro_1_1voronoicell__base.html#a923ffa62bd5d62070cd29e01f3a1327a">draw_pov</a>(*pp,pp[1],pp[2],fp);</div>
<div class="line"><a name="l00613"></a><span class="lineno"> 613</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00614"></a><span class="lineno"> 614</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00615"></a><span class="lineno"> 615</span>&#160;<span class="comment"> /** Computes all Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00616"></a><span class="lineno"> 616</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00617"></a><span class="lineno"> 617</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00618"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#a8d56858927fc6686696e4338f9ac784d"> 618</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a8d56858927fc6686696e4338f9ac784d">draw_cells_pov</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00619"></a><span class="lineno"> 619</span>&#160; <a class="code" href="classvoro_1_1c__loop__all.html" title="Class for looping over all of the particles in a container.">c_loop_all</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00620"></a><span class="lineno"> 620</span>&#160; <a class="code" href="classvoro_1_1container__poly.html#aaaddce8c16e4df211db3cbe9f9ca83de">draw_cells_pov</a>(vl,fp);</div>
<div class="line"><a name="l00621"></a><span class="lineno"> 621</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00622"></a><span class="lineno"> 622</span>&#160;<span class="comment"> /** Computes all Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00623"></a><span class="lineno"> 623</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00624"></a><span class="lineno"> 624</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00625"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#ae949e1e7d3207212db3c99677e4906cd"> 625</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#ae949e1e7d3207212db3c99677e4906cd">draw_cells_pov</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00626"></a><span class="lineno"> 626</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00627"></a><span class="lineno"> 627</span>&#160; <a class="code" href="classvoro_1_1container__poly.html#aaaddce8c16e4df211db3cbe9f9ca83de">draw_cells_pov</a>(fp);</div>
<div class="line"><a name="l00628"></a><span class="lineno"> 628</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00629"></a><span class="lineno"> 629</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00630"></a><span class="lineno"> 630</span>&#160;<span class="comment"> /** Computes the Voronoi cells and saves customized information</span></div>
<div class="line"><a name="l00631"></a><span class="lineno"> 631</span>&#160;<span class="comment"> * about them.</span></div>
<div class="line"><a name="l00632"></a><span class="lineno"> 632</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00633"></a><span class="lineno"> 633</span>&#160;<span class="comment"> * \param[in] format the custom output string to use.</span></div>
<div class="line"><a name="l00634"></a><span class="lineno"> 634</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00635"></a><span class="lineno"> 635</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00636"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#a60907bce91cfacfa054a69872fb10ee3"> 636</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a60907bce91cfacfa054a69872fb10ee3">print_custom</a>(c_loop &amp;vl,<span class="keyword">const</span> <span class="keywordtype">char</span> *format,FILE *fp) {</div>
<div class="line"><a name="l00637"></a><span class="lineno"> 637</span>&#160; <span class="keywordtype">int</span> ijk,q;<span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00638"></a><span class="lineno"> 638</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1voro__base.html#a95d9ee6c1610afccf265198ae63b5e88">contains_neighbor</a>(format)) {</div>
<div class="line"><a name="l00639"></a><span class="lineno"> 639</span>&#160; <a class="code" href="classvoro_1_1voronoicell__neighbor.html" title="Extension of the voronoicell_base class to represent a Voronoi cell with neighbor information...">voronoicell_neighbor</a> c;</div>
<div class="line"><a name="l00640"></a><span class="lineno"> 640</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__poly.html#ae01c610b46aad0aae4998697b69a4b1c">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00641"></a><span class="lineno"> 641</span>&#160; ijk=vl.ijk;q=vl.q;pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[ijk]+<a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba">ps</a>*q;</div>
<div class="line"><a name="l00642"></a><span class="lineno"> 642</span>&#160; c.<a class="code" href="classvoro_1_1voronoicell__base.html#a095c6bfc1b9b7a087d0b35b443e5c023">output_custom</a>(format,<span class="keywordtype">id</span>[ijk][q],*pp,pp[1],pp[2],pp[3],fp);</div>
<div class="line"><a name="l00643"></a><span class="lineno"> 643</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00644"></a><span class="lineno"> 644</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00645"></a><span class="lineno"> 645</span>&#160; <a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> c;</div>
<div class="line"><a name="l00646"></a><span class="lineno"> 646</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__poly.html#ae01c610b46aad0aae4998697b69a4b1c">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00647"></a><span class="lineno"> 647</span>&#160; ijk=vl.ijk;q=vl.q;pp=<a class="code" href="classvoro_1_1container__base.html#a0798a7623a37b1a9da86f225119606e5">p</a>[ijk]+<a class="code" href="classvoro_1_1container__base.html#a235781536a17eab85b547787ff3618ba">ps</a>*q;</div>
<div class="line"><a name="l00648"></a><span class="lineno"> 648</span>&#160; c.<a class="code" href="classvoro_1_1voronoicell__base.html#a095c6bfc1b9b7a087d0b35b443e5c023">output_custom</a>(format,<span class="keywordtype">id</span>[ijk][q],*pp,pp[1],pp[2],pp[3],fp);</div>
<div class="line"><a name="l00649"></a><span class="lineno"> 649</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00650"></a><span class="lineno"> 650</span>&#160; }</div>
<div class="line"><a name="l00651"></a><span class="lineno"> 651</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00652"></a><span class="lineno"> 652</span>&#160;<span class="comment"> /** Computes the Voronoi cell for a particle currently being</span></div>
<div class="line"><a name="l00653"></a><span class="lineno"> 653</span>&#160;<span class="comment"> * referenced by a loop class.</span></div>
<div class="line"><a name="l00654"></a><span class="lineno"> 654</span>&#160;<span class="comment"> * \param[out] c a Voronoi cell class in which to store the</span></div>
<div class="line"><a name="l00655"></a><span class="lineno"> 655</span>&#160;<span class="comment"> * computed cell.</span></div>
<div class="line"><a name="l00656"></a><span class="lineno"> 656</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00657"></a><span class="lineno"> 657</span>&#160;<span class="comment"> * \return True if the cell was computed. If the cell cannot be</span></div>
<div class="line"><a name="l00658"></a><span class="lineno"> 658</span>&#160;<span class="comment"> * computed, if it is removed entirely by a wall or boundary</span></div>
<div class="line"><a name="l00659"></a><span class="lineno"> 659</span>&#160;<span class="comment"> * condition, then the routine returns false. */</span></div>
<div class="line"><a name="l00660"></a><span class="lineno"> 660</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> v_cell,<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00661"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#ae01c610b46aad0aae4998697b69a4b1c"> 661</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__poly.html#ae01c610b46aad0aae4998697b69a4b1c">compute_cell</a>(v_cell &amp;c,c_loop &amp;vl) {</div>
<div class="line"><a name="l00662"></a><span class="lineno"> 662</span>&#160; <span class="keywordflow">return</span> vc.<a class="code" href="classvoro_1_1voro__compute.html#ab08b085875db63f46b0bcecd57bedea9">compute_cell</a>(c,vl.ijk,vl.q,vl.i,vl.j,vl.k);</div>
<div class="line"><a name="l00663"></a><span class="lineno"> 663</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00664"></a><span class="lineno"> 664</span>&#160;<span class="comment"> /** Computes the Voronoi cell for given particle.</span></div>
<div class="line"><a name="l00665"></a><span class="lineno"> 665</span>&#160;<span class="comment"> * \param[out] c a Voronoi cell class in which to store the</span></div>
<div class="line"><a name="l00666"></a><span class="lineno"> 666</span>&#160;<span class="comment"> * computed cell.</span></div>
<div class="line"><a name="l00667"></a><span class="lineno"> 667</span>&#160;<span class="comment"> * \param[in] ijk the block that the particle is within.</span></div>
<div class="line"><a name="l00668"></a><span class="lineno"> 668</span>&#160;<span class="comment"> * \param[in] q the index of the particle within the block.</span></div>
<div class="line"><a name="l00669"></a><span class="lineno"> 669</span>&#160;<span class="comment"> * \return True if the cell was computed. If the cell cannot be</span></div>
<div class="line"><a name="l00670"></a><span class="lineno"> 670</span>&#160;<span class="comment"> * computed, if it is removed entirely by a wall or boundary</span></div>
<div class="line"><a name="l00671"></a><span class="lineno"> 671</span>&#160;<span class="comment"> * condition, then the routine returns false. */</span></div>
<div class="line"><a name="l00672"></a><span class="lineno"> 672</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> v_cell&gt;</div>
<div class="line"><a name="l00673"></a><span class="lineno"><a class="code" href="classvoro_1_1container__poly.html#a12b9eeac5c7f409e1d75f77876c7bd3d"> 673</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__poly.html#a12b9eeac5c7f409e1d75f77876c7bd3d">compute_cell</a>(v_cell &amp;c,<span class="keywordtype">int</span> ijk,<span class="keywordtype">int</span> q) {</div>
<div class="line"><a name="l00674"></a><span class="lineno"> 674</span>&#160; <span class="keywordtype">int</span> k=ijk/<a class="code" href="classvoro_1_1voro__base.html#aad5f41101fce781214d2f0b69487a729">nxy</a>,ijkt=ijk-<a class="code" href="classvoro_1_1voro__base.html#aad5f41101fce781214d2f0b69487a729">nxy</a>*k,j=ijkt/<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>,i=ijkt-j*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;</div>
<div class="line"><a name="l00675"></a><span class="lineno"> 675</span>&#160; <span class="keywordflow">return</span> vc.<a class="code" href="classvoro_1_1voro__compute.html#ab08b085875db63f46b0bcecd57bedea9">compute_cell</a>(c,ijk,q,i,j,k);</div>
<div class="line"><a name="l00676"></a><span class="lineno"> 676</span>&#160; }</div>
<div class="line"><a name="l00677"></a><span class="lineno"> 677</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a60907bce91cfacfa054a69872fb10ee3">print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,FILE *fp=stdout);</div>
<div class="line"><a name="l00678"></a><span class="lineno"> 678</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__poly.html#a60907bce91cfacfa054a69872fb10ee3">print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,<span class="keyword">const</span> <span class="keywordtype">char</span> *filename);</div>
<div class="line"><a name="l00679"></a><span class="lineno"> 679</span>&#160; <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__poly.html#aa02b6b6e5605b28fc8ecf0cd0a757903">find_voronoi_cell</a>(<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">double</span> &amp;rx,<span class="keywordtype">double</span> &amp;ry,<span class="keywordtype">double</span> &amp;rz,<span class="keywordtype">int</span> &amp;pid);</div>
<div class="line"><a name="l00680"></a><span class="lineno"> 680</span>&#160; <span class="keyword">private</span>:</div>
<div class="line"><a name="l00681"></a><span class="lineno"> 681</span>&#160; <a class="code" href="classvoro_1_1voro__compute.html">voro_compute&lt;container_poly&gt;</a> vc;</div>
<div class="line"><a name="l00682"></a><span class="lineno"> 682</span>&#160; <span class="keyword">friend</span> <span class="keyword">class </span><a class="code" href="classvoro_1_1voro__compute.html" title="Template for carrying out Voronoi cell computations.">voro_compute</a>&lt;<a class="code" href="classvoro_1_1container__poly.html" title="Extension of the container_base class for computing radical Voronoi tessellations.">container_poly</a>&gt;;</div>
<div class="line"><a name="l00683"></a><span class="lineno"> 683</span>&#160;};</div>
<div class="line"><a name="l00684"></a><span class="lineno"> 684</span>&#160;</div>
<div class="line"><a name="l00685"></a><span class="lineno"> 685</span>&#160;}</div>
<div class="line"><a name="l00686"></a><span class="lineno"> 686</span>&#160;</div>
<div class="line"><a name="l00687"></a><span class="lineno"> 687</span>&#160;<span class="preprocessor">#endif</span></div>
</div><!-- fragment --></div><!-- contents -->
<!-- start footer part -->
<hr class="footer"/><address class="footer"><small>
Generated on Fri Jul 27 2012 21:53:30 for Voro++ by &#160;<a href="http://www.doxygen.org/index.html">
<img class="footer" src="doxygen.png" alt="doxygen"/>
</a> 1.8.1.1
</small></address>
</body>
</html>
c4science · Help