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<a href="container__prd_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_prd.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_periodic_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_PRD_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_PRD_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="unitcell_8hh.html" title="Header file for the unitcell class.">unitcell.hh</a>&quot;</span></div>
<div class="line"><a name="l00023"></a><span class="lineno"> 23</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="l00024"></a><span class="lineno"> 24</span>&#160;</div>
<div class="line"><a name="l00025"></a><span class="lineno"> 25</span>&#160;<span class="keyword">namespace </span>voro {</div>
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00027"></a><span class="lineno"> 27</span>&#160;<span class="comment">/** \brief Class for representing a particle system in a 3D periodic</span></div>
<div class="line"><a name="l00028"></a><span class="lineno"> 28</span>&#160;<span class="comment"> * non-orthogonal periodic domain.</span></div>
<div class="line"><a name="l00029"></a><span class="lineno"> 29</span>&#160;<span class="comment"> *</span></div>
<div class="line"><a name="l00030"></a><span class="lineno"> 30</span>&#160;<span class="comment"> * This class represents a particle system in a three-dimensional</span></div>
<div class="line"><a name="l00031"></a><span class="lineno"> 31</span>&#160;<span class="comment"> * non-orthogonal periodic domain. The domain is defined by three periodicity</span></div>
<div class="line"><a name="l00032"></a><span class="lineno"> 32</span>&#160;<span class="comment"> * vectors (bx,0,0), (bxy,by,0), and (bxz,byz,bz) that represent a</span></div>
<div class="line"><a name="l00033"></a><span class="lineno"> 33</span>&#160;<span class="comment"> * parallelepiped. Internally, the class stores particles in the box 0&lt;x&lt;bx,</span></div>
<div class="line"><a name="l00034"></a><span class="lineno"> 34</span>&#160;<span class="comment"> * 0&lt;y&lt;by, 0&lt;z&lt;bz, and constructs periodic images of particles that displaced</span></div>
<div class="line"><a name="l00035"></a><span class="lineno"> 35</span>&#160;<span class="comment"> * by the three periodicity vectors when they are necessary for the</span></div>
<div class="line"><a name="l00036"></a><span class="lineno"> 36</span>&#160;<span class="comment"> * computation. The internal memory structure for this class is significantly</span></div>
<div class="line"><a name="l00037"></a><span class="lineno"> 37</span>&#160;<span class="comment"> * different from the container_base class in order to handle the dynamic</span></div>
<div class="line"><a name="l00038"></a><span class="lineno"> 38</span>&#160;<span class="comment"> * construction of these periodic images.</span></div>
<div class="line"><a name="l00039"></a><span class="lineno"> 39</span>&#160;<span class="comment"> *</span></div>
<div class="line"><a name="l00040"></a><span class="lineno"> 40</span>&#160;<span class="comment"> * The class is derived from the unitcell class, which encapsulates information</span></div>
<div class="line"><a name="l00041"></a><span class="lineno"> 41</span>&#160;<span class="comment"> * about the domain geometry, and the voro_base class, which encapsulates</span></div>
<div class="line"><a name="l00042"></a><span class="lineno"> 42</span>&#160;<span class="comment"> * information about the underlying computational grid. */</span></div>
<div class="line"><a name="l00043"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html"> 43</a></span>&#160;<span class="keyword">class </span><a class="code" href="classvoro_1_1container__periodic__base.html" title="Class for representing a particle system in a 3D periodic non-orthogonal periodic domain...">container_periodic_base</a> : <span class="keyword">public</span> <a class="code" href="classvoro_1_1unitcell.html" title="Class for computation of the unit Voronoi cell associated with a 3D non-rectangular periodic domain...">unitcell</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> {</div>
<div class="line"><a name="l00044"></a><span class="lineno"> 44</span>&#160; <span class="keyword">public</span>:<span class="comment"></span></div>
<div class="line"><a name="l00045"></a><span class="lineno"> 45</span>&#160;<span class="comment"> /** The lower y index (inclusive) of the primary domain within</span></div>
<div class="line"><a name="l00046"></a><span class="lineno"> 46</span>&#160;<span class="comment"> * the block structure. */</span></div>
<div class="line"><a name="l00047"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6"> 47</a></span>&#160; <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>;<span class="comment"></span></div>
<div class="line"><a name="l00048"></a><span class="lineno"> 48</span>&#160;<span class="comment"> /** The lower z index (inclusive) of the primary domain within</span></div>
<div class="line"><a name="l00049"></a><span class="lineno"> 49</span>&#160;<span class="comment"> * the block structure. */</span></div>
<div class="line"><a name="l00050"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f"> 50</a></span>&#160; <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>;<span class="comment"></span></div>
<div class="line"><a name="l00051"></a><span class="lineno"> 51</span>&#160;<span class="comment"> /** The upper y index (exclusive) of the primary domain within</span></div>
<div class="line"><a name="l00052"></a><span class="lineno"> 52</span>&#160;<span class="comment"> * the block structure. */</span></div>
<div class="line"><a name="l00053"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a012ffc20dd6379bcbd26ddc0c5cc8591"> 53</a></span>&#160; <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a012ffc20dd6379bcbd26ddc0c5cc8591">wy</a>;<span class="comment"></span></div>
<div class="line"><a name="l00054"></a><span class="lineno"> 54</span>&#160;<span class="comment"> /** The upper z index (exclusive) of the primary domain within</span></div>
<div class="line"><a name="l00055"></a><span class="lineno"> 55</span>&#160;<span class="comment"> * the block structure. */</span></div>
<div class="line"><a name="l00056"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#afe16d21568925f78421122cdfb7b0cc0"> 56</a></span>&#160; <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#afe16d21568925f78421122cdfb7b0cc0">wz</a>;<span class="comment"></span></div>
<div class="line"><a name="l00057"></a><span class="lineno"> 57</span>&#160;<span class="comment"> /** The total size of the block structure (including images) in</span></div>
<div class="line"><a name="l00058"></a><span class="lineno"> 58</span>&#160;<span class="comment"> * the y direction. */</span></div>
<div class="line"><a name="l00059"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5"> 59</a></span>&#160; <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>;<span class="comment"></span></div>
<div class="line"><a name="l00060"></a><span class="lineno"> 60</span>&#160;<span class="comment"> /** The total size of the block structure (including images) in</span></div>
<div class="line"><a name="l00061"></a><span class="lineno"> 61</span>&#160;<span class="comment"> * the z direction. */</span></div>
<div class="line"><a name="l00062"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#ab1f18c51495f684dfc4d3372f9b311da"> 62</a></span>&#160; <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#ab1f18c51495f684dfc4d3372f9b311da">oz</a>;<span class="comment"></span></div>
<div class="line"><a name="l00063"></a><span class="lineno"> 63</span>&#160;<span class="comment"> /** The total number of blocks. */</span></div>
<div class="line"><a name="l00064"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#ae1dfc876e56ec254053c7672b4454313"> 64</a></span>&#160; <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#ae1dfc876e56ec254053c7672b4454313">oxyz</a>;<span class="comment"></span></div>
<div class="line"><a name="l00065"></a><span class="lineno"> 65</span>&#160;<span class="comment"> /** This array holds the numerical IDs of each particle in each</span></div>
<div class="line"><a name="l00066"></a><span class="lineno"> 66</span>&#160;<span class="comment"> * computational box. */</span></div>
<div class="line"><a name="l00067"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a5abecf243780e08dd6cce6f5dd270c76"> 67</a></span>&#160; <span class="keywordtype">int</span> **<a class="code" href="classvoro_1_1container__periodic__base.html#a5abecf243780e08dd6cce6f5dd270c76">id</a>;<span class="comment"></span></div>
<div class="line"><a name="l00068"></a><span class="lineno"> 68</span>&#160;<span class="comment"> /** A two dimensional array holding particle positions. For the</span></div>
<div class="line"><a name="l00069"></a><span class="lineno"> 69</span>&#160;<span class="comment"> * derived container_poly class, this also holds particle</span></div>
<div class="line"><a name="l00070"></a><span class="lineno"> 70</span>&#160;<span class="comment"> * radii. */</span></div>
<div class="line"><a name="l00071"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608"> 71</a></span>&#160; <span class="keywordtype">double</span> **<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>;<span class="comment"></span></div>
<div class="line"><a name="l00072"></a><span class="lineno"> 72</span>&#160;<span class="comment"> /** This array holds the number of particles within each</span></div>
<div class="line"><a name="l00073"></a><span class="lineno"> 73</span>&#160;<span class="comment"> * computational box of the container. */</span></div>
<div class="line"><a name="l00074"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2"> 74</a></span>&#160; <span class="keywordtype">int</span> *<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;<span class="comment"></span></div>
<div class="line"><a name="l00075"></a><span class="lineno"> 75</span>&#160;<span class="comment"> /** This array holds the maximum amount of particle memory for</span></div>
<div class="line"><a name="l00076"></a><span class="lineno"> 76</span>&#160;<span class="comment"> * each computational box of the container. If the number of</span></div>
<div class="line"><a name="l00077"></a><span class="lineno"> 77</span>&#160;<span class="comment"> * particles in a particular box ever approaches this limit,</span></div>
<div class="line"><a name="l00078"></a><span class="lineno"> 78</span>&#160;<span class="comment"> * more is allocated using the add_particle_memory() function.</span></div>
<div class="line"><a name="l00079"></a><span class="lineno"> 79</span>&#160;<span class="comment"> */</span></div>
<div class="line"><a name="l00080"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70"> 80</a></span>&#160; <span class="keywordtype">int</span> *<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>;<span class="comment"></span></div>
<div class="line"><a name="l00081"></a><span class="lineno"> 81</span>&#160;<span class="comment"> /** An array holding information about periodic image</span></div>
<div class="line"><a name="l00082"></a><span class="lineno"> 82</span>&#160;<span class="comment"> * construction at a given location. */</span></div>
<div class="line"><a name="l00083"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1"> 83</a></span>&#160; <span class="keywordtype">char</span> *<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>;<span class="comment"></span></div>
<div class="line"><a name="l00084"></a><span class="lineno"> 84</span>&#160;<span class="comment"> /** The initial amount of memory to allocate for particles</span></div>
<div class="line"><a name="l00085"></a><span class="lineno"> 85</span>&#160;<span class="comment"> * for each block. */</span></div>
<div class="line"><a name="l00086"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1"> 86</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>;<span class="comment"></span></div>
<div class="line"><a name="l00087"></a><span class="lineno"> 87</span>&#160;<span class="comment"> /** The amount of memory in the array structure for each</span></div>
<div class="line"><a name="l00088"></a><span class="lineno"> 88</span>&#160;<span class="comment"> * particle. This is set to 3 when the basic class is</span></div>
<div class="line"><a name="l00089"></a><span class="lineno"> 89</span>&#160;<span class="comment"> * initialized, so that the array holds (x,y,z) positions. If</span></div>
<div class="line"><a name="l00090"></a><span class="lineno"> 90</span>&#160;<span class="comment"> * the container class is initialized as part of the derived</span></div>
<div class="line"><a name="l00091"></a><span class="lineno"> 91</span>&#160;<span class="comment"> * class container_poly, then this is set to 4, to also hold</span></div>
<div class="line"><a name="l00092"></a><span class="lineno"> 92</span>&#160;<span class="comment"> * the particle radii. */</span></div>
<div class="line"><a name="l00093"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e"> 93</a></span>&#160; <span class="keyword">const</span> <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>;</div>
<div class="line"><a name="l00094"></a><span class="lineno"> 94</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a5319c976a873f9b10f80f9038f3460bd">container_periodic_base</a>(<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> bxy_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> bxz_,<span class="keywordtype">double</span> byz_,<span class="keywordtype">double</span> bz_,</div>
<div class="line"><a name="l00095"></a><span class="lineno"> 95</span>&#160; <span class="keywordtype">int</span> nx_,<span class="keywordtype">int</span> ny_,<span class="keywordtype">int</span> nz_,<span class="keywordtype">int</span> init_mem_,<span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>);</div>
<div class="line"><a name="l00096"></a><span class="lineno"> 96</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a4eacfa1389d290c753df07df3c88e0a7">~container_periodic_base</a>();<span class="comment"></span></div>
<div class="line"><a name="l00097"></a><span class="lineno"> 97</span>&#160;<span class="comment"> /** Prints all particles in the container, including those that</span></div>
<div class="line"><a name="l00098"></a><span class="lineno"> 98</span>&#160;<span class="comment"> * have been constructed in image blocks. */</span></div>
<div class="line"><a name="l00099"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#ac931a6c1cab4b2e910a0d07969b38785"> 99</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#ac931a6c1cab4b2e910a0d07969b38785">print_all_particles</a>() {</div>
<div class="line"><a name="l00100"></a><span class="lineno"> 100</span>&#160; <span class="keywordtype">int</span> ijk,q;</div>
<div class="line"><a name="l00101"></a><span class="lineno"> 101</span>&#160; <span class="keywordflow">for</span>(ijk=0;ijk&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#ae1dfc876e56ec254053c7672b4454313">oxyz</a>;ijk++) <span class="keywordflow">for</span>(q=0;q&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk];q++)</div>
<div class="line"><a name="l00102"></a><span class="lineno"> 102</span>&#160; printf(<span class="stringliteral">&quot;%d %g %g %g\n&quot;</span>,<span class="keywordtype">id</span>[ijk][q],<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*q],<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*q+1],<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*q+2]);</div>
<div class="line"><a name="l00103"></a><span class="lineno"> 103</span>&#160; }</div>
<div class="line"><a name="l00104"></a><span class="lineno"> 104</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a8462c3a3079586196e2bd9a764283173">region_count</a>();<span class="comment"></span></div>
<div class="line"><a name="l00105"></a><span class="lineno"> 105</span>&#160;<span class="comment"> /** Initializes the Voronoi cell prior to a compute_cell</span></div>
<div class="line"><a name="l00106"></a><span class="lineno"> 106</span>&#160;<span class="comment"> * operation for a specific particle being carried out by a</span></div>
<div class="line"><a name="l00107"></a><span class="lineno"> 107</span>&#160;<span class="comment"> * voro_compute class. The cell is initialized to be the</span></div>
<div class="line"><a name="l00108"></a><span class="lineno"> 108</span>&#160;<span class="comment"> * pre-computed unit Voronoi cell based on planes formed by</span></div>
<div class="line"><a name="l00109"></a><span class="lineno"> 109</span>&#160;<span class="comment"> * periodic images of the particle.</span></div>
<div class="line"><a name="l00110"></a><span class="lineno"> 110</span>&#160;<span class="comment"> * \param[in,out] c a reference to a voronoicell object.</span></div>
<div class="line"><a name="l00111"></a><span class="lineno"> 111</span>&#160;<span class="comment"> * \param[in] ijk the block that the particle is within.</span></div>
<div class="line"><a name="l00112"></a><span class="lineno"> 112</span>&#160;<span class="comment"> * \param[in] q the index of the particle within its block.</span></div>
<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>&#160;<span class="comment"> * \param[in] (ci,cj,ck) the coordinates of the block in the</span></div>
<div class="line"><a name="l00114"></a><span class="lineno"> 114</span>&#160;<span class="comment"> * container coordinate system.</span></div>
<div class="line"><a name="l00115"></a><span class="lineno"> 115</span>&#160;<span class="comment"> * \param[out] (i,j,k) the coordinates of the test block</span></div>
<div class="line"><a name="l00116"></a><span class="lineno"> 116</span>&#160;<span class="comment"> * relative to the voro_compute</span></div>
<div class="line"><a name="l00117"></a><span class="lineno"> 117</span>&#160;<span class="comment"> * coordinate system.</span></div>
<div class="line"><a name="l00118"></a><span class="lineno"> 118</span>&#160;<span class="comment"> * \param[out] (x,y,z) the position of the particle.</span></div>
<div class="line"><a name="l00119"></a><span class="lineno"> 119</span>&#160;<span class="comment"> * \param[out] disp a block displacement used internally by the</span></div>
<div class="line"><a name="l00120"></a><span class="lineno"> 120</span>&#160;<span class="comment"> * compute_cell routine.</span></div>
<div class="line"><a name="l00121"></a><span class="lineno"> 121</span>&#160;<span class="comment"> * \return False if the plane cuts applied by walls completely</span></div>
<div class="line"><a name="l00122"></a><span class="lineno"> 122</span>&#160;<span class="comment"> * removed the cell, true otherwise. */</span></div>
<div class="line"><a name="l00123"></a><span class="lineno"> 123</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> v_cell&gt;</div>
<div class="line"><a name="l00124"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#ae540389dc8845562c5f8cd45cec71edd"> 124</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic__base.html#ae540389dc8845562c5f8cd45cec71edd">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,<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="l00125"></a><span class="lineno"> 125</span>&#160; c=<a class="code" href="classvoro_1_1unitcell.html#a0844f70778cc7b19024ed28a2c7ad02c">unit_voro</a>;</div>
<div class="line"><a name="l00126"></a><span class="lineno"> 126</span>&#160; <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*q;</div>
<div class="line"><a name="l00127"></a><span class="lineno"> 127</span>&#160; x=*(pp++);y=*(pp++);z=*pp;</div>
<div class="line"><a name="l00128"></a><span class="lineno"> 128</span>&#160; i=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;j=<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>;k=<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>;</div>
<div class="line"><a name="l00129"></a><span class="lineno"> 129</span>&#160; <span class="keywordflow">return</span> <span class="keyword">true</span>;</div>
<div class="line"><a name="l00130"></a><span class="lineno"> 130</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00131"></a><span class="lineno"> 131</span>&#160;<span class="comment"> /** Initializes parameters for a find_voronoi_cell call within</span></div>
<div class="line"><a name="l00132"></a><span class="lineno"> 132</span>&#160;<span class="comment"> * the voro_compute template.</span></div>
<div class="line"><a name="l00133"></a><span class="lineno"> 133</span>&#160;<span class="comment"> * \param[in] (ci,cj,ck) the coordinates of the test block in</span></div>
<div class="line"><a name="l00134"></a><span class="lineno"> 134</span>&#160;<span class="comment"> * the container coordinate system.</span></div>
<div class="line"><a name="l00135"></a><span class="lineno"> 135</span>&#160;<span class="comment"> * \param[in] ijk the index of the test block</span></div>
<div class="line"><a name="l00136"></a><span class="lineno"> 136</span>&#160;<span class="comment"> * \param[out] (i,j,k) the coordinates of the test block</span></div>
<div class="line"><a name="l00137"></a><span class="lineno"> 137</span>&#160;<span class="comment"> * relative to the voro_compute</span></div>
<div class="line"><a name="l00138"></a><span class="lineno"> 138</span>&#160;<span class="comment"> * coordinate system.</span></div>
<div class="line"><a name="l00139"></a><span class="lineno"> 139</span>&#160;<span class="comment"> * \param[out] disp a block displacement used internally by the</span></div>
<div class="line"><a name="l00140"></a><span class="lineno"> 140</span>&#160;<span class="comment"> * find_voronoi_cell routine (but not needed</span></div>
<div class="line"><a name="l00141"></a><span class="lineno"> 141</span>&#160;<span class="comment"> * in this instance.) */</span></div>
<div class="line"><a name="l00142"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a812ed5572fcfece48b73517fcf913ec0"> 142</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a812ed5572fcfece48b73517fcf913ec0">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="l00143"></a><span class="lineno"> 143</span>&#160; i=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;j=<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>;k=<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>;</div>
<div class="line"><a name="l00144"></a><span class="lineno"> 144</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00145"></a><span class="lineno"> 145</span>&#160;<span class="comment"> /** Returns the position of a particle currently being computed</span></div>
<div class="line"><a name="l00146"></a><span class="lineno"> 146</span>&#160;<span class="comment"> * relative to the computational block that it is within. It is</span></div>
<div class="line"><a name="l00147"></a><span class="lineno"> 147</span>&#160;<span class="comment"> * used to select the optimal worklist entry to use.</span></div>
<div class="line"><a name="l00148"></a><span class="lineno"> 148</span>&#160;<span class="comment"> * \param[in] (x,y,z) the position of the particle.</span></div>
<div class="line"><a name="l00149"></a><span class="lineno"> 149</span>&#160;<span class="comment"> * \param[in] (ci,cj,ck) the block that the particle is within.</span></div>
<div class="line"><a name="l00150"></a><span class="lineno"> 150</span>&#160;<span class="comment"> * \param[out] (fx,fy,fz) the position relative to the block.</span></div>
<div class="line"><a name="l00151"></a><span class="lineno"> 151</span>&#160;<span class="comment"> */</span></div>
<div class="line"><a name="l00152"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a4f637efc5e56874aa9d68f44505e042c"> 152</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a4f637efc5e56874aa9d68f44505e042c">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,<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="l00153"></a><span class="lineno"> 153</span>&#160; fx=x-<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>*ci;</div>
<div class="line"><a name="l00154"></a><span class="lineno"> 154</span>&#160; fy=y-<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>*(cj-<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>);</div>
<div class="line"><a name="l00155"></a><span class="lineno"> 155</span>&#160; fz=z-<a class="code" href="classvoro_1_1voro__base.html#afd53f018c9641c8b8066e9429c88a4e0">boxz</a>*(ck-<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>);</div>
<div class="line"><a name="l00156"></a><span class="lineno"> 156</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00157"></a><span class="lineno"> 157</span>&#160;<span class="comment"> /** Calculates the index of block in the container structure</span></div>
<div class="line"><a name="l00158"></a><span class="lineno"> 158</span>&#160;<span class="comment"> * corresponding to given coordinates.</span></div>
<div class="line"><a name="l00159"></a><span class="lineno"> 159</span>&#160;<span class="comment"> * \param[in] (ci,cj,ck) the coordinates of the original block</span></div>
<div class="line"><a name="l00160"></a><span class="lineno"> 160</span>&#160;<span class="comment"> * in the current computation, relative</span></div>
<div class="line"><a name="l00161"></a><span class="lineno"> 161</span>&#160;<span class="comment"> * to the container coordinate system.</span></div>
<div class="line"><a name="l00162"></a><span class="lineno"> 162</span>&#160;<span class="comment"> * \param[in] (ei,ej,ek) the displacement of the current block</span></div>
<div class="line"><a name="l00163"></a><span class="lineno"> 163</span>&#160;<span class="comment"> * from the original block.</span></div>
<div class="line"><a name="l00164"></a><span class="lineno"> 164</span>&#160;<span class="comment"> * \param[in,out] (qx,qy,qz) the periodic displacement that</span></div>
<div class="line"><a name="l00165"></a><span class="lineno"> 165</span>&#160;<span class="comment"> * must be added to the particles</span></div>
<div class="line"><a name="l00166"></a><span class="lineno"> 166</span>&#160;<span class="comment"> * within the computed block.</span></div>
<div class="line"><a name="l00167"></a><span class="lineno"> 167</span>&#160;<span class="comment"> * \param[in] disp a block displacement used internally by the</span></div>
<div class="line"><a name="l00168"></a><span class="lineno"> 168</span>&#160;<span class="comment"> * find_voronoi_cell and compute_cell routines</span></div>
<div class="line"><a name="l00169"></a><span class="lineno"> 169</span>&#160;<span class="comment"> * (but not needed in this instance.)</span></div>
<div class="line"><a name="l00170"></a><span class="lineno"> 170</span>&#160;<span class="comment"> * \return The block index. */</span></div>
<div class="line"><a name="l00171"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#aa0cd2a5bf51968b7af3334f4bbb8df8e"> 171</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1container__periodic__base.html#aa0cd2a5bf51968b7af3334f4bbb8df8e">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="l00172"></a><span class="lineno"> 172</span>&#160; <span class="keywordtype">int</span> qi=ci+(ei-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>),qj=cj+(ej-<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>),qk=ck+(ek-<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>);</div>
<div class="line"><a name="l00173"></a><span class="lineno"> 173</span>&#160; <span class="keywordtype">int</span> iv(<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(qi,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>));<span class="keywordflow">if</span>(iv!=0) {qx=iv*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;qi-=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*iv;} <span class="keywordflow">else</span> qx=0;</div>
<div class="line"><a name="l00174"></a><span class="lineno"> 174</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a11b7428673e4791fe651036ecda0cd12">create_periodic_image</a>(qi,qj,qk);</div>
<div class="line"><a name="l00175"></a><span class="lineno"> 175</span>&#160; <span class="keywordflow">return</span> qi+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(qj+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*qk);</div>
<div class="line"><a name="l00176"></a><span class="lineno"> 176</span>&#160; }</div>
<div class="line"><a name="l00177"></a><span class="lineno"> 177</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a9e622a40386d97fcb015ff4ed792ff44">create_all_images</a>();</div>
<div class="line"><a name="l00178"></a><span class="lineno"> 178</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a133f1be4a780183fd6bd7c008c65482d">check_compartmentalized</a>();</div>
<div class="line"><a name="l00179"></a><span class="lineno"> 179</span>&#160; <span class="keyword">protected</span>:</div>
<div class="line"><a name="l00180"></a><span class="lineno"> 180</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a">add_particle_memory</a>(<span class="keywordtype">int</span> i);</div>
<div class="line"><a name="l00181"></a><span class="lineno"> 181</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">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="l00182"></a><span class="lineno"> 182</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">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,<span class="keywordtype">int</span> &amp;ai,<span class="keywordtype">int</span> &amp;aj,<span class="keywordtype">int</span> &amp;ak);<span class="comment"></span></div>
<div class="line"><a name="l00183"></a><span class="lineno"> 183</span>&#160;<span class="comment"> /** Creates particles within an image block by copying them</span></div>
<div class="line"><a name="l00184"></a><span class="lineno"> 184</span>&#160;<span class="comment"> * from the primary domain and shifting them. If the given</span></div>
<div class="line"><a name="l00185"></a><span class="lineno"> 185</span>&#160;<span class="comment"> * block is aligned with the primary domain in the z-direction,</span></div>
<div class="line"><a name="l00186"></a><span class="lineno"> 186</span>&#160;<span class="comment"> * the routine calls the simpler create_side_image routine</span></div>
<div class="line"><a name="l00187"></a><span class="lineno"> 187</span>&#160;<span class="comment"> * where the image block may comprise of particles from up to</span></div>
<div class="line"><a name="l00188"></a><span class="lineno"> 188</span>&#160;<span class="comment"> * two primary blocks. Otherwise is calls the more complex</span></div>
<div class="line"><a name="l00189"></a><span class="lineno"> 189</span>&#160;<span class="comment"> * create_vertical_image where the image block may comprise of</span></div>
<div class="line"><a name="l00190"></a><span class="lineno"> 190</span>&#160;<span class="comment"> * particles from up to four primary blocks.</span></div>
<div class="line"><a name="l00191"></a><span class="lineno"> 191</span>&#160;<span class="comment"> * \param[in] (di,dj,dk) the coordinates of the image block to</span></div>
<div class="line"><a name="l00192"></a><span class="lineno"> 192</span>&#160;<span class="comment"> * create. */</span></div>
<div class="line"><a name="l00193"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a11b7428673e4791fe651036ecda0cd12"> 193</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a11b7428673e4791fe651036ecda0cd12">create_periodic_image</a>(<span class="keywordtype">int</span> di,<span class="keywordtype">int</span> dj,<span class="keywordtype">int</span> dk) {</div>
<div class="line"><a name="l00194"></a><span class="lineno"> 194</span>&#160; <span class="keywordflow">if</span>(di&lt;0||di&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>||dj&lt;0||dj&gt;=<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>||dk&lt;0||dk&gt;=<a class="code" href="classvoro_1_1container__periodic__base.html#ab1f18c51495f684dfc4d3372f9b311da">oz</a>)</div>
<div class="line"><a name="l00195"></a><span class="lineno"> 195</span>&#160; voro_fatal_error(<span class="stringliteral">&quot;Constructing periodic image for nonexistent point&quot;</span>,<a class="code" href="config_8hh.html#ad8e0de9d48da06e86dd87884e4a2d47e">VOROPP_INTERNAL_ERROR</a>);</div>
<div class="line"><a name="l00196"></a><span class="lineno"> 196</span>&#160; <span class="keywordflow">if</span>(dk&gt;=<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>&amp;&amp;dk&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#afe16d21568925f78421122cdfb7b0cc0">wz</a>) {</div>
<div class="line"><a name="l00197"></a><span class="lineno"> 197</span>&#160; <span class="keywordflow">if</span>(dj&lt;ey||dj&gt;=<a class="code" href="classvoro_1_1container__periodic__base.html#a012ffc20dd6379bcbd26ddc0c5cc8591">wy</a>) <a class="code" href="classvoro_1_1container__periodic__base.html#aa16ea029bbf80a1fdec3e6bba675e704">create_side_image</a>(di,dj,dk);</div>
<div class="line"><a name="l00198"></a><span class="lineno"> 198</span>&#160; } <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a8d3545b219d91aee864b224829b6a644">create_vertical_image</a>(di,dj,dk);</div>
<div class="line"><a name="l00199"></a><span class="lineno"> 199</span>&#160; }</div>
<div class="line"><a name="l00200"></a><span class="lineno"> 200</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#aa16ea029bbf80a1fdec3e6bba675e704">create_side_image</a>(<span class="keywordtype">int</span> di,<span class="keywordtype">int</span> dj,<span class="keywordtype">int</span> dk);</div>
<div class="line"><a name="l00201"></a><span class="lineno"> 201</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a8d3545b219d91aee864b224829b6a644">create_vertical_image</a>(<span class="keywordtype">int</span> di,<span class="keywordtype">int</span> dj,<span class="keywordtype">int</span> dk);</div>
<div class="line"><a name="l00202"></a><span class="lineno"> 202</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(<span class="keywordtype">int</span> reg,<span class="keywordtype">int</span> fijk,<span class="keywordtype">int</span> l,<span class="keywordtype">double</span> dx,<span class="keywordtype">double</span> dy,<span class="keywordtype">double</span> dz);</div>
<div class="line"><a name="l00203"></a><span class="lineno"> 203</span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#ac5b0b78cf8fe46f7e3c7124dbf4e0729">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="l00204"></a><span class="lineno"> 204</span>&#160;};</div>
<div class="line"><a name="l00205"></a><span class="lineno"> 205</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00206"></a><span class="lineno"> 206</span>&#160;<span class="comment">/** \brief Extension of the container_periodic_base class for computing regular</span></div>
<div class="line"><a name="l00207"></a><span class="lineno"> 207</span>&#160;<span class="comment"> * Voronoi tessellations.</span></div>
<div class="line"><a name="l00208"></a><span class="lineno"> 208</span>&#160;<span class="comment"> *</span></div>
<div class="line"><a name="l00209"></a><span class="lineno"> 209</span>&#160;<span class="comment"> * This class is an extension of the container_periodic_base that has routines</span></div>
<div class="line"><a name="l00210"></a><span class="lineno"> 210</span>&#160;<span class="comment"> * specifically for computing the regular Voronoi tessellation with no</span></div>
<div class="line"><a name="l00211"></a><span class="lineno"> 211</span>&#160;<span class="comment"> * dependence on particle radii. */</span></div>
<div class="line"><a name="l00212"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html"> 212</a></span>&#160;<span class="keyword">class </span><a class="code" href="classvoro_1_1container__periodic.html" title="Extension of the container_periodic_base class for computing regular Voronoi tessellations.">container_periodic</a> : <span class="keyword">public</span> <a class="code" href="classvoro_1_1container__periodic__base.html" title="Class for representing a particle system in a 3D periodic non-orthogonal periodic domain...">container_periodic_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="l00213"></a><span class="lineno"> 213</span>&#160; <span class="keyword">public</span>:</div>
<div class="line"><a name="l00214"></a><span class="lineno"> 214</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#ace68f8fc6073edb7dd41c30761f899fd">container_periodic</a>(<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> bxy_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> bxz_,<span class="keywordtype">double</span> byz_,<span class="keywordtype">double</span> bz_,</div>
<div class="line"><a name="l00215"></a><span class="lineno"> 215</span>&#160; <span class="keywordtype">int</span> nx_,<span class="keywordtype">int</span> ny_,<span class="keywordtype">int</span> nz_,<span class="keywordtype">int</span> init_mem_);</div>
<div class="line"><a name="l00216"></a><span class="lineno"> 216</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a5394f52caa441d83c5aba6cf0e254116">clear</a>();</div>
<div class="line"><a name="l00217"></a><span class="lineno"> 217</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">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="l00218"></a><span class="lineno"> 218</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">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">int</span> &amp;ai,<span class="keywordtype">int</span> &amp;aj,<span class="keywordtype">int</span> &amp;ak);</div>
<div class="line"><a name="l00219"></a><span class="lineno"> 219</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">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="l00220"></a><span class="lineno"> 220</span>&#160; <span class="keywordtype">void</span> <span class="keyword">import</span>(FILE *fp=stdin);</div>
<div class="line"><a name="l00221"></a><span class="lineno"> 221</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="l00222"></a><span class="lineno"> 222</span>&#160;<span class="comment"> /** Imports a list of particles from an open file stream into</span></div>
<div class="line"><a name="l00223"></a><span class="lineno"> 223</span>&#160;<span class="comment"> * the container. Entries of four numbers (Particle ID, x</span></div>
<div class="line"><a name="l00224"></a><span class="lineno"> 224</span>&#160;<span class="comment"> * position, y position, z position) are searched for. If the</span></div>
<div class="line"><a name="l00225"></a><span class="lineno"> 225</span>&#160;<span class="comment"> * file cannot be successfully read, then the routine causes a</span></div>
<div class="line"><a name="l00226"></a><span class="lineno"> 226</span>&#160;<span class="comment"> * fatal error.</span></div>
<div class="line"><a name="l00227"></a><span class="lineno"> 227</span>&#160;<span class="comment"> * \param[in] filename the name of the file to open and read</span></div>
<div class="line"><a name="l00228"></a><span class="lineno"> 228</span>&#160;<span class="comment"> * from. */</span></div>
<div class="line"><a name="l00229"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#ac2b38542ffabd95cb7f5bc5dab162a5d"> 229</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="l00230"></a><span class="lineno"> 230</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;r&quot;</span>);</div>
<div class="line"><a name="l00231"></a><span class="lineno"> 231</span>&#160; <span class="keyword">import</span>(fp);</div>
<div class="line"><a name="l00232"></a><span class="lineno"> 232</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00233"></a><span class="lineno"> 233</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00234"></a><span class="lineno"> 234</span>&#160;<span class="comment"> /** Imports a list of particles from an open file stream into</span></div>
<div class="line"><a name="l00235"></a><span class="lineno"> 235</span>&#160;<span class="comment"> * the container. Entries of four numbers (Particle ID, x</span></div>
<div class="line"><a name="l00236"></a><span class="lineno"> 236</span>&#160;<span class="comment"> * position, y position, z position) are searched for. In</span></div>
<div class="line"><a name="l00237"></a><span class="lineno"> 237</span>&#160;<span class="comment"> * addition, the order in which particles are read is saved</span></div>
<div class="line"><a name="l00238"></a><span class="lineno"> 238</span>&#160;<span class="comment"> * into an ordering class. If the file cannot be successfully</span></div>
<div class="line"><a name="l00239"></a><span class="lineno"> 239</span>&#160;<span class="comment"> * read, then the routine causes a fatal error.</span></div>
<div class="line"><a name="l00240"></a><span class="lineno"> 240</span>&#160;<span class="comment"> * \param[in,out] vo the ordering class to use.</span></div>
<div class="line"><a name="l00241"></a><span class="lineno"> 241</span>&#160;<span class="comment"> * \param[in] filename the name of the file to open and read</span></div>
<div class="line"><a name="l00242"></a><span class="lineno"> 242</span>&#160;<span class="comment"> * from. */</span></div>
<div class="line"><a name="l00243"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#ae586c7cf716fa84e91e9f801f5ac8a50"> 243</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="l00244"></a><span class="lineno"> 244</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;r&quot;</span>);</div>
<div class="line"><a name="l00245"></a><span class="lineno"> 245</span>&#160; <span class="keyword">import</span>(vo,fp);</div>
<div class="line"><a name="l00246"></a><span class="lineno"> 246</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00247"></a><span class="lineno"> 247</span>&#160; }</div>
<div class="line"><a name="l00248"></a><span class="lineno"> 248</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a0b374a8ad39646bf22468e535b08a187">compute_all_cells</a>();</div>
<div class="line"><a name="l00249"></a><span class="lineno"> 249</span>&#160; <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__periodic.html#a0f60071a597dec1065a5ab122cf72415">sum_cell_volumes</a>();<span class="comment"></span></div>
<div class="line"><a name="l00250"></a><span class="lineno"> 250</span>&#160;<span class="comment"> /** Dumps particle IDs and positions to a file.</span></div>
<div class="line"><a name="l00251"></a><span class="lineno"> 251</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00252"></a><span class="lineno"> 252</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00253"></a><span class="lineno"> 253</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00254"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a4b22d1868b96f049891a4f65e57497e8"> 254</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a4b22d1868b96f049891a4f65e57497e8">draw_particles</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00255"></a><span class="lineno"> 255</span>&#160; <span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00256"></a><span class="lineno"> 256</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> {</div>
<div class="line"><a name="l00257"></a><span class="lineno"> 257</span>&#160; pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[vl.ijk]+3*vl.q;</div>
<div class="line"><a name="l00258"></a><span class="lineno"> 258</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="l00259"></a><span class="lineno"> 259</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00260"></a><span class="lineno"> 260</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00261"></a><span class="lineno"> 261</span>&#160;<span class="comment"> /** Dumps all of the particle IDs and positions to a file.</span></div>
<div class="line"><a name="l00262"></a><span class="lineno"> 262</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00263"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a21a12c0ed7e67de10360cd3af8a5928f"> 263</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a21a12c0ed7e67de10360cd3af8a5928f">draw_particles</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00264"></a><span class="lineno"> 264</span>&#160; <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00265"></a><span class="lineno"> 265</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#a4b22d1868b96f049891a4f65e57497e8">draw_particles</a>(vl,fp);</div>
<div class="line"><a name="l00266"></a><span class="lineno"> 266</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00267"></a><span class="lineno"> 267</span>&#160;<span class="comment"> /** Dumps all of the particle IDs and positions to a file.</span></div>
<div class="line"><a name="l00268"></a><span class="lineno"> 268</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00269"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a0b7b5b922f383d0c8d05e499a887a3b9"> 269</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a0b7b5b922f383d0c8d05e499a887a3b9">draw_particles</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00270"></a><span class="lineno"> 270</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00271"></a><span class="lineno"> 271</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#a4b22d1868b96f049891a4f65e57497e8">draw_particles</a>(fp);</div>
<div class="line"><a name="l00272"></a><span class="lineno"> 272</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00273"></a><span class="lineno"> 273</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00274"></a><span class="lineno"> 274</span>&#160;<span class="comment"> /** Dumps particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00275"></a><span class="lineno"> 275</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00276"></a><span class="lineno"> 276</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00277"></a><span class="lineno"> 277</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00278"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a7086ad4c901827134b29a1bfc1b0bd3d"> 278</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a7086ad4c901827134b29a1bfc1b0bd3d">draw_particles_pov</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00279"></a><span class="lineno"> 279</span>&#160; <span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00280"></a><span class="lineno"> 280</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> {</div>
<div class="line"><a name="l00281"></a><span class="lineno"> 281</span>&#160; pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[vl.ijk]+3*vl.q;</div>
<div class="line"><a name="l00282"></a><span class="lineno"> 282</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="l00283"></a><span class="lineno"> 283</span>&#160; <span class="keywordtype">id</span>[vl.ijk][vl.q],*pp,pp[1],pp[2]);</div>
<div class="line"><a name="l00284"></a><span class="lineno"> 284</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00285"></a><span class="lineno"> 285</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00286"></a><span class="lineno"> 286</span>&#160;<span class="comment"> /** Dumps all particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00287"></a><span class="lineno"> 287</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00288"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a7279993d74b79966cfaeab40f8df5882"> 288</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a7279993d74b79966cfaeab40f8df5882">draw_particles_pov</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00289"></a><span class="lineno"> 289</span>&#160; <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00290"></a><span class="lineno"> 290</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#a7086ad4c901827134b29a1bfc1b0bd3d">draw_particles_pov</a>(vl,fp);</div>
<div class="line"><a name="l00291"></a><span class="lineno"> 291</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00292"></a><span class="lineno"> 292</span>&#160;<span class="comment"> /** Dumps all particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00293"></a><span class="lineno"> 293</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00294"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#af008d47998b895aeeb108361a642407d"> 294</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#af008d47998b895aeeb108361a642407d">draw_particles_pov</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00295"></a><span class="lineno"> 295</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00296"></a><span class="lineno"> 296</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#a7086ad4c901827134b29a1bfc1b0bd3d">draw_particles_pov</a>(fp);</div>
<div class="line"><a name="l00297"></a><span class="lineno"> 297</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00298"></a><span class="lineno"> 298</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00299"></a><span class="lineno"> 299</span>&#160;<span class="comment"> /** Computes Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00300"></a><span class="lineno"> 300</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00301"></a><span class="lineno"> 301</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00302"></a><span class="lineno"> 302</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00303"></a><span class="lineno"> 303</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00304"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#ad90cf825d916a83570382f7cfae0461b"> 304</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#ad90cf825d916a83570382f7cfae0461b">draw_cells_gnuplot</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00305"></a><span class="lineno"> 305</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="l00306"></a><span class="lineno"> 306</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__periodic.html#af5cc004a3be4a1eecb037fe9f4b9e2ff">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00307"></a><span class="lineno"> 307</span>&#160; pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[vl.ijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*vl.q;</div>
<div class="line"><a name="l00308"></a><span class="lineno"> 308</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="l00309"></a><span class="lineno"> 309</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00310"></a><span class="lineno"> 310</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00311"></a><span class="lineno"> 311</span>&#160;<span class="comment"> /** Computes all Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00312"></a><span class="lineno"> 312</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00313"></a><span class="lineno"> 313</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00314"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#adaf8256dd86c8c37618113cee774345f"> 314</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#adaf8256dd86c8c37618113cee774345f">draw_cells_gnuplot</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00315"></a><span class="lineno"> 315</span>&#160; <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00316"></a><span class="lineno"> 316</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#ad90cf825d916a83570382f7cfae0461b">draw_cells_gnuplot</a>(vl,fp);</div>
<div class="line"><a name="l00317"></a><span class="lineno"> 317</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00318"></a><span class="lineno"> 318</span>&#160;<span class="comment"> /** Compute all Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00319"></a><span class="lineno"> 319</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00320"></a><span class="lineno"> 320</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00321"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a4f2b088d20b479b62a3dcdfa42d62526"> 321</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a4f2b088d20b479b62a3dcdfa42d62526">draw_cells_gnuplot</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00322"></a><span class="lineno"> 322</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00323"></a><span class="lineno"> 323</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#ad90cf825d916a83570382f7cfae0461b">draw_cells_gnuplot</a>(fp);</div>
<div class="line"><a name="l00324"></a><span class="lineno"> 324</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00325"></a><span class="lineno"> 325</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00326"></a><span class="lineno"> 326</span>&#160;<span class="comment"> /** Computes Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00327"></a><span class="lineno"> 327</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00328"></a><span class="lineno"> 328</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00329"></a><span class="lineno"> 329</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00330"></a><span class="lineno"> 330</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00331"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#adba11c6b4f9a20b1d5e0e16b94fe7dff"> 331</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#adba11c6b4f9a20b1d5e0e16b94fe7dff">draw_cells_pov</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00332"></a><span class="lineno"> 332</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="l00333"></a><span class="lineno"> 333</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__periodic.html#af5cc004a3be4a1eecb037fe9f4b9e2ff">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00334"></a><span class="lineno"> 334</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="l00335"></a><span class="lineno"> 335</span>&#160; pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[vl.ijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*vl.q;</div>
<div class="line"><a name="l00336"></a><span class="lineno"> 336</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="l00337"></a><span class="lineno"> 337</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</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"> /** Computes all Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00340"></a><span class="lineno"> 340</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00341"></a><span class="lineno"> 341</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00342"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#ae35a7e24438d3290c5dbb39f2474f3f4"> 342</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#ae35a7e24438d3290c5dbb39f2474f3f4">draw_cells_pov</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00343"></a><span class="lineno"> 343</span>&#160; <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00344"></a><span class="lineno"> 344</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#adba11c6b4f9a20b1d5e0e16b94fe7dff">draw_cells_pov</a>(vl,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"> /** Computes all Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00347"></a><span class="lineno"> 347</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00348"></a><span class="lineno"> 348</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00349"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a690edc7e6e23393d82faf320aac1b2d9"> 349</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a690edc7e6e23393d82faf320aac1b2d9">draw_cells_pov</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00350"></a><span class="lineno"> 350</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00351"></a><span class="lineno"> 351</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#adba11c6b4f9a20b1d5e0e16b94fe7dff">draw_cells_pov</a>(fp);</div>
<div class="line"><a name="l00352"></a><span class="lineno"> 352</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00353"></a><span class="lineno"> 353</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00354"></a><span class="lineno"> 354</span>&#160;<span class="comment"> /** Computes the Voronoi cells and saves customized information</span></div>
<div class="line"><a name="l00355"></a><span class="lineno"> 355</span>&#160;<span class="comment"> * about them.</span></div>
<div class="line"><a name="l00356"></a><span class="lineno"> 356</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00357"></a><span class="lineno"> 357</span>&#160;<span class="comment"> * \param[in] format the custom output string to use.</span></div>
<div class="line"><a name="l00358"></a><span class="lineno"> 358</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00359"></a><span class="lineno"> 359</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00360"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212"> 360</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">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="l00361"></a><span class="lineno"> 361</span>&#160; <span class="keywordtype">int</span> ijk,q;<span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00362"></a><span class="lineno"> 362</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="l00363"></a><span class="lineno"> 363</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="l00364"></a><span class="lineno"> 364</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__periodic.html#af5cc004a3be4a1eecb037fe9f4b9e2ff">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00365"></a><span class="lineno"> 365</span>&#160; ijk=vl.ijk;q=vl.q;pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*q;</div>
<div class="line"><a name="l00366"></a><span class="lineno"> 366</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="l00367"></a><span class="lineno"> 367</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00368"></a><span class="lineno"> 368</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00369"></a><span class="lineno"> 369</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="l00370"></a><span class="lineno"> 370</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__periodic.html#af5cc004a3be4a1eecb037fe9f4b9e2ff">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00371"></a><span class="lineno"> 371</span>&#160; ijk=vl.ijk;q=vl.q;pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*q;</div>
<div class="line"><a name="l00372"></a><span class="lineno"> 372</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="l00373"></a><span class="lineno"> 373</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00374"></a><span class="lineno"> 374</span>&#160; }</div>
<div class="line"><a name="l00375"></a><span class="lineno"> 375</span>&#160; }</div>
<div class="line"><a name="l00376"></a><span class="lineno"> 376</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,FILE *fp=stdout);</div>
<div class="line"><a name="l00377"></a><span class="lineno"> 377</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">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="l00378"></a><span class="lineno"> 378</span>&#160; <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic.html#a5fa97cb936062142acc29e5870add6c6">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="l00379"></a><span class="lineno"> 379</span>&#160;<span class="comment"> /** Computes the Voronoi cell for a particle currently being</span></div>
<div class="line"><a name="l00380"></a><span class="lineno"> 380</span>&#160;<span class="comment"> * referenced by a loop class.</span></div>
<div class="line"><a name="l00381"></a><span class="lineno"> 381</span>&#160;<span class="comment"> * \param[out] c a Voronoi cell class in which to store the</span></div>
<div class="line"><a name="l00382"></a><span class="lineno"> 382</span>&#160;<span class="comment"> * computed cell.</span></div>
<div class="line"><a name="l00383"></a><span class="lineno"> 383</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00384"></a><span class="lineno"> 384</span>&#160;<span class="comment"> * \return True if the cell was computed. If the cell cannot be</span></div>
<div class="line"><a name="l00385"></a><span class="lineno"> 385</span>&#160;<span class="comment"> * computed because it was removed entirely for some reason,</span></div>
<div class="line"><a name="l00386"></a><span class="lineno"> 386</span>&#160;<span class="comment"> * then the routine returns false. */</span></div>
<div class="line"><a name="l00387"></a><span class="lineno"> 387</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="l00388"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#af5cc004a3be4a1eecb037fe9f4b9e2ff"> 388</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic.html#af5cc004a3be4a1eecb037fe9f4b9e2ff">compute_cell</a>(v_cell &amp;c,c_loop &amp;vl) {</div>
<div class="line"><a name="l00389"></a><span class="lineno"> 389</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="l00390"></a><span class="lineno"> 390</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00391"></a><span class="lineno"> 391</span>&#160;<span class="comment"> /** Computes the Voronoi cell for given particle.</span></div>
<div class="line"><a name="l00392"></a><span class="lineno"> 392</span>&#160;<span class="comment"> * \param[out] c a Voronoi cell class in which to store the</span></div>
<div class="line"><a name="l00393"></a><span class="lineno"> 393</span>&#160;<span class="comment"> * computed cell.</span></div>
<div class="line"><a name="l00394"></a><span class="lineno"> 394</span>&#160;<span class="comment"> * \param[in] ijk the block that the particle is within.</span></div>
<div class="line"><a name="l00395"></a><span class="lineno"> 395</span>&#160;<span class="comment"> * \param[in] q the index of the particle within the block.</span></div>
<div class="line"><a name="l00396"></a><span class="lineno"> 396</span>&#160;<span class="comment"> * \return True if the cell was computed. If the cell cannot be</span></div>
<div class="line"><a name="l00397"></a><span class="lineno"> 397</span>&#160;<span class="comment"> * computed because it was removed entirely for some reason,</span></div>
<div class="line"><a name="l00398"></a><span class="lineno"> 398</span>&#160;<span class="comment"> * then the routine returns false. */</span></div>
<div class="line"><a name="l00399"></a><span class="lineno"> 399</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> v_cell&gt;</div>
<div class="line"><a name="l00400"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a5ed9e19316148b6af242887ccc8ccf60"> 400</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic.html#a5ed9e19316148b6af242887ccc8ccf60">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="l00401"></a><span class="lineno"> 401</span>&#160; <span class="keywordtype">int</span> k(ijk/(<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>)),ijkt(ijk-(<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*oy)*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="l00402"></a><span class="lineno"> 402</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="l00403"></a><span class="lineno"> 403</span>&#160; }</div>
<div class="line"><a name="l00404"></a><span class="lineno"> 404</span>&#160; <span class="keyword">private</span>:</div>
<div class="line"><a name="l00405"></a><span class="lineno"> 405</span>&#160; <a class="code" href="classvoro_1_1voro__compute.html">voro_compute&lt;container_periodic&gt;</a> vc;</div>
<div class="line"><a name="l00406"></a><span class="lineno"> 406</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__periodic.html" title="Extension of the container_periodic_base class for computing regular Voronoi tessellations.">container_periodic</a>&gt;;</div>
<div class="line"><a name="l00407"></a><span class="lineno"> 407</span>&#160;};</div>
<div class="line"><a name="l00408"></a><span class="lineno"> 408</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00409"></a><span class="lineno"> 409</span>&#160;<span class="comment">/** \brief Extension of the container_periodic_base class for computing radical</span></div>
<div class="line"><a name="l00410"></a><span class="lineno"> 410</span>&#160;<span class="comment"> * Voronoi tessellations.</span></div>
<div class="line"><a name="l00411"></a><span class="lineno"> 411</span>&#160;<span class="comment"> *</span></div>
<div class="line"><a name="l00412"></a><span class="lineno"> 412</span>&#160;<span class="comment"> * This class is an extension of container_periodic_base that has routines</span></div>
<div class="line"><a name="l00413"></a><span class="lineno"> 413</span>&#160;<span class="comment"> * specifically for computing the radical Voronoi tessellation that depends</span></div>
<div class="line"><a name="l00414"></a><span class="lineno"> 414</span>&#160;<span class="comment"> * on the particle radii. */</span></div>
<div class="line"><a name="l00415"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html"> 415</a></span>&#160;<span class="keyword">class </span><a class="code" href="classvoro_1_1container__periodic__poly.html" title="Extension of the container_periodic_base class for computing radical Voronoi tessellations.">container_periodic_poly</a> : <span class="keyword">public</span> <a class="code" href="classvoro_1_1container__periodic__base.html" title="Class for representing a particle system in a 3D periodic non-orthogonal periodic domain...">container_periodic_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="l00416"></a><span class="lineno"> 416</span>&#160; <span class="keyword">public</span>:</div>
<div class="line"><a name="l00417"></a><span class="lineno"> 417</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#adc3616c10fe7b40795951b5cd8dc8c74">container_periodic_poly</a>(<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> bxy_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> bxz_,<span class="keywordtype">double</span> byz_,<span class="keywordtype">double</span> bz_,</div>
<div class="line"><a name="l00418"></a><span class="lineno"> 418</span>&#160; <span class="keywordtype">int</span> nx_,<span class="keywordtype">int</span> ny_,<span class="keywordtype">int</span> nz_,<span class="keywordtype">int</span> init_mem_);</div>
<div class="line"><a name="l00419"></a><span class="lineno"> 419</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a4dd33f8d67680a65864245a90ac883a2">clear</a>();</div>
<div class="line"><a name="l00420"></a><span class="lineno"> 420</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">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="l00421"></a><span class="lineno"> 421</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">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,<span class="keywordtype">int</span> &amp;ai,<span class="keywordtype">int</span> &amp;aj,<span class="keywordtype">int</span> &amp;ak);</div>
<div class="line"><a name="l00422"></a><span class="lineno"> 422</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">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="l00423"></a><span class="lineno"> 423</span>&#160; <span class="keywordtype">void</span> <span class="keyword">import</span>(FILE *fp=stdin);</div>
<div class="line"><a name="l00424"></a><span class="lineno"> 424</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="l00425"></a><span class="lineno"> 425</span>&#160;<span class="comment"> /** Imports a list of particles from an open file stream into</span></div>
<div class="line"><a name="l00426"></a><span class="lineno"> 426</span>&#160;<span class="comment"> * the container_poly class. Entries of five numbers (Particle</span></div>
<div class="line"><a name="l00427"></a><span class="lineno"> 427</span>&#160;<span class="comment"> * ID, x position, y position, z position, radius) are searched</span></div>
<div class="line"><a name="l00428"></a><span class="lineno"> 428</span>&#160;<span class="comment"> * for. If the file cannot be successfully read, then the</span></div>
<div class="line"><a name="l00429"></a><span class="lineno"> 429</span>&#160;<span class="comment"> * routine causes a fatal error.</span></div>
<div class="line"><a name="l00430"></a><span class="lineno"> 430</span>&#160;<span class="comment"> * \param[in] filename the name of the file to open and read</span></div>
<div class="line"><a name="l00431"></a><span class="lineno"> 431</span>&#160;<span class="comment"> * from. */</span></div>
<div class="line"><a name="l00432"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a2052ab1ed4c33c961fbc26a86c66a494"> 432</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="l00433"></a><span class="lineno"> 433</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;r&quot;</span>);</div>
<div class="line"><a name="l00434"></a><span class="lineno"> 434</span>&#160; <span class="keyword">import</span>(fp);</div>
<div class="line"><a name="l00435"></a><span class="lineno"> 435</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00436"></a><span class="lineno"> 436</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00437"></a><span class="lineno"> 437</span>&#160;<span class="comment"> /** Imports a list of particles from an open file stream into</span></div>
<div class="line"><a name="l00438"></a><span class="lineno"> 438</span>&#160;<span class="comment"> * the container_poly class. Entries of five numbers (Particle</span></div>
<div class="line"><a name="l00439"></a><span class="lineno"> 439</span>&#160;<span class="comment"> * ID, x position, y position, z position, radius) are searched</span></div>
<div class="line"><a name="l00440"></a><span class="lineno"> 440</span>&#160;<span class="comment"> * for. In addition, the order in which particles are read is</span></div>
<div class="line"><a name="l00441"></a><span class="lineno"> 441</span>&#160;<span class="comment"> * saved into an ordering class. If the file cannot be</span></div>
<div class="line"><a name="l00442"></a><span class="lineno"> 442</span>&#160;<span class="comment"> * successfully read, then the routine causes a fatal error.</span></div>
<div class="line"><a name="l00443"></a><span class="lineno"> 443</span>&#160;<span class="comment"> * \param[in,out] vo the ordering class to use.</span></div>
<div class="line"><a name="l00444"></a><span class="lineno"> 444</span>&#160;<span class="comment"> * \param[in] filename the name of the file to open and read</span></div>
<div class="line"><a name="l00445"></a><span class="lineno"> 445</span>&#160;<span class="comment"> * from. */</span></div>
<div class="line"><a name="l00446"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a346b67c09850a78e8eb9144029fe3087"> 446</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="l00447"></a><span class="lineno"> 447</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;r&quot;</span>);</div>
<div class="line"><a name="l00448"></a><span class="lineno"> 448</span>&#160; <span class="keyword">import</span>(vo,fp);</div>
<div class="line"><a name="l00449"></a><span class="lineno"> 449</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00450"></a><span class="lineno"> 450</span>&#160; }</div>
<div class="line"><a name="l00451"></a><span class="lineno"> 451</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#ab19ca1d361472a1c7dc35023fd20297c">compute_all_cells</a>();</div>
<div class="line"><a name="l00452"></a><span class="lineno"> 452</span>&#160; <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#ac3a665f34e5aee05a6d36abb5289f796">sum_cell_volumes</a>();<span class="comment"></span></div>
<div class="line"><a name="l00453"></a><span class="lineno"> 453</span>&#160;<span class="comment"> /** Dumps particle IDs, positions and radii to a file.</span></div>
<div class="line"><a name="l00454"></a><span class="lineno"> 454</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00455"></a><span class="lineno"> 455</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00456"></a><span class="lineno"> 456</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00457"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a3760b525f8c9dd5b360e6e4a80294d9a"> 457</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a3760b525f8c9dd5b360e6e4a80294d9a">draw_particles</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00458"></a><span class="lineno"> 458</span>&#160; <span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00459"></a><span class="lineno"> 459</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> {</div>
<div class="line"><a name="l00460"></a><span class="lineno"> 460</span>&#160; pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[vl.ijk]+4*vl.q;</div>
<div class="line"><a name="l00461"></a><span class="lineno"> 461</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="l00462"></a><span class="lineno"> 462</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00463"></a><span class="lineno"> 463</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00464"></a><span class="lineno"> 464</span>&#160;<span class="comment"> /** Dumps all of the particle IDs, positions and radii to a</span></div>
<div class="line"><a name="l00465"></a><span class="lineno"> 465</span>&#160;<span class="comment"> * file.</span></div>
<div class="line"><a name="l00466"></a><span class="lineno"> 466</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00467"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#afa2993c7ef337244c73b073a3f546df7"> 467</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#afa2993c7ef337244c73b073a3f546df7">draw_particles</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00468"></a><span class="lineno"> 468</span>&#160; <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00469"></a><span class="lineno"> 469</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#a3760b525f8c9dd5b360e6e4a80294d9a">draw_particles</a>(vl,fp);</div>
<div class="line"><a name="l00470"></a><span class="lineno"> 470</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00471"></a><span class="lineno"> 471</span>&#160;<span class="comment"> /** Dumps all of the particle IDs, positions and radii to a</span></div>
<div class="line"><a name="l00472"></a><span class="lineno"> 472</span>&#160;<span class="comment"> * file.</span></div>
<div class="line"><a name="l00473"></a><span class="lineno"> 473</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00474"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a7bfb4757df738760c59d4f8905a92c17"> 474</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a7bfb4757df738760c59d4f8905a92c17">draw_particles</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00475"></a><span class="lineno"> 475</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00476"></a><span class="lineno"> 476</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#a3760b525f8c9dd5b360e6e4a80294d9a">draw_particles</a>(fp);</div>
<div class="line"><a name="l00477"></a><span class="lineno"> 477</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00478"></a><span class="lineno"> 478</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00479"></a><span class="lineno"> 479</span>&#160;<span class="comment"> /** Dumps particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00480"></a><span class="lineno"> 480</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00481"></a><span class="lineno"> 481</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00482"></a><span class="lineno"> 482</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00483"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#aa9c1c012d0826c2fd28682ded2dd90f1"> 483</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#aa9c1c012d0826c2fd28682ded2dd90f1">draw_particles_pov</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00484"></a><span class="lineno"> 484</span>&#160; <span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00485"></a><span class="lineno"> 485</span>&#160; <span class="keywordflow">if</span>(vl.start()) <span class="keywordflow">do</span> {</div>
<div class="line"><a name="l00486"></a><span class="lineno"> 486</span>&#160; pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[vl.ijk]+4*vl.q;</div>
<div class="line"><a name="l00487"></a><span class="lineno"> 487</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="l00488"></a><span class="lineno"> 488</span>&#160; <span class="keywordtype">id</span>[vl.ijk][vl.q],*pp,pp[1],pp[2],pp[3]);</div>
<div class="line"><a name="l00489"></a><span class="lineno"> 489</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00490"></a><span class="lineno"> 490</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00491"></a><span class="lineno"> 491</span>&#160;<span class="comment"> /** Dumps all the particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00492"></a><span class="lineno"> 492</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00493"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a5bf55c7e6ace75b00aa245636afb82b7"> 493</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a5bf55c7e6ace75b00aa245636afb82b7">draw_particles_pov</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00494"></a><span class="lineno"> 494</span>&#160; <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00495"></a><span class="lineno"> 495</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#aa9c1c012d0826c2fd28682ded2dd90f1">draw_particles_pov</a>(vl,fp);</div>
<div class="line"><a name="l00496"></a><span class="lineno"> 496</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00497"></a><span class="lineno"> 497</span>&#160;<span class="comment"> /** Dumps all the particle positions in POV-Ray format.</span></div>
<div class="line"><a name="l00498"></a><span class="lineno"> 498</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00499"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#acd3e09b90187ab0ebb521d16d914b9a0"> 499</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#acd3e09b90187ab0ebb521d16d914b9a0">draw_particles_pov</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00500"></a><span class="lineno"> 500</span>&#160; FILE *fp(safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>));</div>
<div class="line"><a name="l00501"></a><span class="lineno"> 501</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#aa9c1c012d0826c2fd28682ded2dd90f1">draw_particles_pov</a>(fp);</div>
<div class="line"><a name="l00502"></a><span class="lineno"> 502</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00503"></a><span class="lineno"> 503</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00504"></a><span class="lineno"> 504</span>&#160;<span class="comment"> /** Computes Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00505"></a><span class="lineno"> 505</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00506"></a><span class="lineno"> 506</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00507"></a><span class="lineno"> 507</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00508"></a><span class="lineno"> 508</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00509"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#aa4561672ab91f1064748dd18d340335c"> 509</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#aa4561672ab91f1064748dd18d340335c">draw_cells_gnuplot</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00510"></a><span class="lineno"> 510</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="l00511"></a><span class="lineno"> 511</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__periodic__poly.html#a399d6b409b62005a0da290a89c4fdadb">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00512"></a><span class="lineno"> 512</span>&#160; pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[vl.ijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*vl.q;</div>
<div class="line"><a name="l00513"></a><span class="lineno"> 513</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="l00514"></a><span class="lineno"> 514</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00515"></a><span class="lineno"> 515</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00516"></a><span class="lineno"> 516</span>&#160;<span class="comment"> /** Compute all Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00517"></a><span class="lineno"> 517</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00518"></a><span class="lineno"> 518</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00519"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#aed830c459b6f9b1a8ef130d0641c3ead"> 519</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#aed830c459b6f9b1a8ef130d0641c3ead">draw_cells_gnuplot</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00520"></a><span class="lineno"> 520</span>&#160; <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00521"></a><span class="lineno"> 521</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#aa4561672ab91f1064748dd18d340335c">draw_cells_gnuplot</a>(vl,fp);</div>
<div class="line"><a name="l00522"></a><span class="lineno"> 522</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00523"></a><span class="lineno"> 523</span>&#160;<span class="comment"> /** Compute all Voronoi cells and saves the output in gnuplot</span></div>
<div class="line"><a name="l00524"></a><span class="lineno"> 524</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00525"></a><span class="lineno"> 525</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00526"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a6bfd38989da6891d35111ad61a5b3634"> 526</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a6bfd38989da6891d35111ad61a5b3634">draw_cells_gnuplot</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00527"></a><span class="lineno"> 527</span>&#160; FILE *fp(safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>));</div>
<div class="line"><a name="l00528"></a><span class="lineno"> 528</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#aa4561672ab91f1064748dd18d340335c">draw_cells_gnuplot</a>(fp);</div>
<div class="line"><a name="l00529"></a><span class="lineno"> 529</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00530"></a><span class="lineno"> 530</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00531"></a><span class="lineno"> 531</span>&#160;<span class="comment"> /** Computes Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00532"></a><span class="lineno"> 532</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00533"></a><span class="lineno"> 533</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00534"></a><span class="lineno"> 534</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00535"></a><span class="lineno"> 535</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00536"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a78c92412a5127918249bc9fbe14e6b52"> 536</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a78c92412a5127918249bc9fbe14e6b52">draw_cells_pov</a>(c_loop &amp;vl,FILE *fp) {</div>
<div class="line"><a name="l00537"></a><span class="lineno"> 537</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="l00538"></a><span class="lineno"> 538</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__periodic__poly.html#a399d6b409b62005a0da290a89c4fdadb">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00539"></a><span class="lineno"> 539</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="l00540"></a><span class="lineno"> 540</span>&#160; pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[vl.ijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*vl.q;</div>
<div class="line"><a name="l00541"></a><span class="lineno"> 541</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="l00542"></a><span class="lineno"> 542</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00543"></a><span class="lineno"> 543</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00544"></a><span class="lineno"> 544</span>&#160;<span class="comment"> /** Computes all Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00545"></a><span class="lineno"> 545</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00546"></a><span class="lineno"> 546</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00547"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a23b1f79f3cc8cee7c4b4d9470a0ee6f0"> 547</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a23b1f79f3cc8cee7c4b4d9470a0ee6f0">draw_cells_pov</a>(FILE *fp=stdout) {</div>
<div class="line"><a name="l00548"></a><span class="lineno"> 548</span>&#160; <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);</div>
<div class="line"><a name="l00549"></a><span class="lineno"> 549</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#a78c92412a5127918249bc9fbe14e6b52">draw_cells_pov</a>(vl,fp);</div>
<div class="line"><a name="l00550"></a><span class="lineno"> 550</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00551"></a><span class="lineno"> 551</span>&#160;<span class="comment"> /** Computes all Voronoi cells and saves the output in POV-Ray</span></div>
<div class="line"><a name="l00552"></a><span class="lineno"> 552</span>&#160;<span class="comment"> * format.</span></div>
<div class="line"><a name="l00553"></a><span class="lineno"> 553</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00554"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a7f64711de2a4ce09c1cc2c0e5cbdf9f5"> 554</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f64711de2a4ce09c1cc2c0e5cbdf9f5">draw_cells_pov</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {</div>
<div class="line"><a name="l00555"></a><span class="lineno"> 555</span>&#160; FILE *fp(safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>));</div>
<div class="line"><a name="l00556"></a><span class="lineno"> 556</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#a78c92412a5127918249bc9fbe14e6b52">draw_cells_pov</a>(fp);</div>
<div class="line"><a name="l00557"></a><span class="lineno"> 557</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00558"></a><span class="lineno"> 558</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00559"></a><span class="lineno"> 559</span>&#160;<span class="comment"> /** Computes the Voronoi cells and saves customized information</span></div>
<div class="line"><a name="l00560"></a><span class="lineno"> 560</span>&#160;<span class="comment"> * about them.</span></div>
<div class="line"><a name="l00561"></a><span class="lineno"> 561</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00562"></a><span class="lineno"> 562</span>&#160;<span class="comment"> * \param[in] format the custom output string to use.</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"> 564</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> c_loop&gt;</div>
<div class="line"><a name="l00565"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5"> 565</a></span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">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="l00566"></a><span class="lineno"> 566</span>&#160; <span class="keywordtype">int</span> ijk,q;<span class="keywordtype">double</span> *pp;</div>
<div class="line"><a name="l00567"></a><span class="lineno"> 567</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="l00568"></a><span class="lineno"> 568</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="l00569"></a><span class="lineno"> 569</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__periodic__poly.html#a399d6b409b62005a0da290a89c4fdadb">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00570"></a><span class="lineno"> 570</span>&#160; ijk=vl.ijk;q=vl.q;pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*q;</div>
<div class="line"><a name="l00571"></a><span class="lineno"> 571</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="l00572"></a><span class="lineno"> 572</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00573"></a><span class="lineno"> 573</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00574"></a><span class="lineno"> 574</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="l00575"></a><span class="lineno"> 575</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__periodic__poly.html#a399d6b409b62005a0da290a89c4fdadb">compute_cell</a>(c,vl)) {</div>
<div class="line"><a name="l00576"></a><span class="lineno"> 576</span>&#160; ijk=vl.ijk;q=vl.q;pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*q;</div>
<div class="line"><a name="l00577"></a><span class="lineno"> 577</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="l00578"></a><span class="lineno"> 578</span>&#160; } <span class="keywordflow">while</span>(vl.inc());</div>
<div class="line"><a name="l00579"></a><span class="lineno"> 579</span>&#160; }</div>
<div class="line"><a name="l00580"></a><span class="lineno"> 580</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00581"></a><span class="lineno"> 581</span>&#160;<span class="comment"> /** Computes the Voronoi cell for a particle currently being</span></div>
<div class="line"><a name="l00582"></a><span class="lineno"> 582</span>&#160;<span class="comment"> * referenced by a loop class.</span></div>
<div class="line"><a name="l00583"></a><span class="lineno"> 583</span>&#160;<span class="comment"> * \param[out] c a Voronoi cell class in which to store the</span></div>
<div class="line"><a name="l00584"></a><span class="lineno"> 584</span>&#160;<span class="comment"> * computed cell.</span></div>
<div class="line"><a name="l00585"></a><span class="lineno"> 585</span>&#160;<span class="comment"> * \param[in] vl the loop class to use.</span></div>
<div class="line"><a name="l00586"></a><span class="lineno"> 586</span>&#160;<span class="comment"> * \return True if the cell was computed. If the cell cannot be</span></div>
<div class="line"><a name="l00587"></a><span class="lineno"> 587</span>&#160;<span class="comment"> * computed because it was removed entirely for some reason,</span></div>
<div class="line"><a name="l00588"></a><span class="lineno"> 588</span>&#160;<span class="comment"> * then the routine returns false. */</span></div>
<div class="line"><a name="l00589"></a><span class="lineno"> 589</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="l00590"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a399d6b409b62005a0da290a89c4fdadb"> 590</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a399d6b409b62005a0da290a89c4fdadb">compute_cell</a>(v_cell &amp;c,c_loop &amp;vl) {</div>
<div class="line"><a name="l00591"></a><span class="lineno"> 591</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="l00592"></a><span class="lineno"> 592</span>&#160; }<span class="comment"></span></div>
<div class="line"><a name="l00593"></a><span class="lineno"> 593</span>&#160;<span class="comment"> /** Computes the Voronoi cell for given particle.</span></div>
<div class="line"><a name="l00594"></a><span class="lineno"> 594</span>&#160;<span class="comment"> * \param[out] c a Voronoi cell class in which to store the</span></div>
<div class="line"><a name="l00595"></a><span class="lineno"> 595</span>&#160;<span class="comment"> * computed cell.</span></div>
<div class="line"><a name="l00596"></a><span class="lineno"> 596</span>&#160;<span class="comment"> * \param[in] ijk the block that the particle is within.</span></div>
<div class="line"><a name="l00597"></a><span class="lineno"> 597</span>&#160;<span class="comment"> * \param[in] q the index of the particle within the block.</span></div>
<div class="line"><a name="l00598"></a><span class="lineno"> 598</span>&#160;<span class="comment"> * \return True if the cell was computed. If the cell cannot be</span></div>
<div class="line"><a name="l00599"></a><span class="lineno"> 599</span>&#160;<span class="comment"> * computed because it was removed entirely for some reason,</span></div>
<div class="line"><a name="l00600"></a><span class="lineno"> 600</span>&#160;<span class="comment"> * then the routine returns false. */</span></div>
<div class="line"><a name="l00601"></a><span class="lineno"> 601</span>&#160; <span class="keyword">template</span>&lt;<span class="keyword">class</span> v_cell&gt;</div>
<div class="line"><a name="l00602"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#abd0fd5314a1d1e50721d2320171064e8"> 602</a></span>&#160; <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#abd0fd5314a1d1e50721d2320171064e8">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="l00603"></a><span class="lineno"> 603</span>&#160; <span class="keywordtype">int</span> k(ijk/(<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>)),ijkt(ijk-(<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*oy)*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="l00604"></a><span class="lineno"> 604</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="l00605"></a><span class="lineno"> 605</span>&#160; }</div>
<div class="line"><a name="l00606"></a><span class="lineno"> 606</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,FILE *fp=stdout);</div>
<div class="line"><a name="l00607"></a><span class="lineno"> 607</span>&#160; <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">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="l00608"></a><span class="lineno"> 608</span>&#160; <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#ac3536b067b34a16efada8286ebc50586">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="l00609"></a><span class="lineno"> 609</span>&#160; <span class="keyword">private</span>:</div>
<div class="line"><a name="l00610"></a><span class="lineno"> 610</span>&#160; <a class="code" href="classvoro_1_1voro__compute.html">voro_compute&lt;container_periodic_poly&gt;</a> vc;</div>
<div class="line"><a name="l00611"></a><span class="lineno"> 611</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__periodic__poly.html" title="Extension of the container_periodic_base class for computing radical Voronoi tessellations.">container_periodic_poly</a>&gt;;</div>
<div class="line"><a name="l00612"></a><span class="lineno"> 612</span>&#160;};</div>
<div class="line"><a name="l00613"></a><span class="lineno"> 613</span>&#160;</div>
<div class="line"><a name="l00614"></a><span class="lineno"> 614</span>&#160;}</div>
<div class="line"><a name="l00615"></a><span class="lineno"> 615</span>&#160;</div>
<div class="line"><a name="l00616"></a><span class="lineno"> 616</span>&#160;<span class="preprocessor">#endif</span></div>
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