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<a href="container__prd_8cc.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.cc</span></div>
<div class="line"><a name="l00008"></a><span class="lineno"> 8</span>&#160;<span class="comment"> * \brief Function implementations for the container_periodic_base and</span></div>
<div class="line"><a name="l00009"></a><span class="lineno"> 9</span>&#160;<span class="comment"> * related classes. */</span></div>
<div class="line"><a name="l00010"></a><span class="lineno"> 10</span>&#160;</div>
<div class="line"><a name="l00011"></a><span class="lineno"> 11</span>&#160;<span class="preprocessor">#include &quot;<a class="code" href="container__prd_8hh.html" title="Header file for the container_periodic_base and related classes.">container_prd.hh</a>&quot;</span></div>
<div class="line"><a name="l00012"></a><span class="lineno"> 12</span>&#160;</div>
<div class="line"><a name="l00013"></a><span class="lineno"> 13</span>&#160;<span class="keyword">namespace </span>voro {</div>
<div class="line"><a name="l00014"></a><span class="lineno"> 14</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00015"></a><span class="lineno"> 15</span>&#160;<span class="comment">/** The class constructor sets up the geometry of container, initializing the</span></div>
<div class="line"><a name="l00016"></a><span class="lineno"> 16</span>&#160;<span class="comment"> * minimum and maximum coordinates in each direction, and setting whether each</span></div>
<div class="line"><a name="l00017"></a><span class="lineno"> 17</span>&#160;<span class="comment"> * direction is periodic or not. It divides the container into a rectangular</span></div>
<div class="line"><a name="l00018"></a><span class="lineno"> 18</span>&#160;<span class="comment"> * grid of blocks, and allocates memory for each of these for storing particle</span></div>
<div class="line"><a name="l00019"></a><span class="lineno"> 19</span>&#160;<span class="comment"> * positions and IDs.</span></div>
<div class="line"><a name="l00020"></a><span class="lineno"> 20</span>&#160;<span class="comment"> * \param[in] (bx_) The x coordinate of the first unit vector.</span></div>
<div class="line"><a name="l00021"></a><span class="lineno"> 21</span>&#160;<span class="comment"> * \param[in] (bxy_,by_) The x and y coordinates of the second unit vector.</span></div>
<div class="line"><a name="l00022"></a><span class="lineno"> 22</span>&#160;<span class="comment"> * \param[in] (bxz_,byz_,bz_) The x, y, and z coordinates of the third unit</span></div>
<div class="line"><a name="l00023"></a><span class="lineno"> 23</span>&#160;<span class="comment"> * vector.</span></div>
<div class="line"><a name="l00024"></a><span class="lineno"> 24</span>&#160;<span class="comment"> * \param[in] (nx_,ny_,nz_) the number of grid blocks in each of the three</span></div>
<div class="line"><a name="l00025"></a><span class="lineno"> 25</span>&#160;<span class="comment"> * coordinate directions.</span></div>
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span>&#160;<span class="comment"> * \param[in] init_mem_ the initial memory allocation for each block.</span></div>
<div class="line"><a name="l00027"></a><span class="lineno"> 27</span>&#160;<span class="comment"> * \param[in] ps_ the number of floating point entries to store for each</span></div>
<div class="line"><a name="l00028"></a><span class="lineno"> 28</span>&#160;<span class="comment"> * particle. */</span></div>
<div class="line"><a name="l00029"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a5319c976a873f9b10f80f9038f3460bd"> 29</a></span>&#160;<a class="code" href="classvoro_1_1container__periodic__base.html#a5319c976a873f9b10f80f9038f3460bd">container_periodic_base::container_periodic_base</a>(<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> bxy_,<span class="keywordtype">double</span> by_,</div>
<div class="line"><a name="l00030"></a><span class="lineno"> 30</span>&#160; <span class="keywordtype">double</span> bxz_,<span class="keywordtype">double</span> byz_,<span class="keywordtype">double</span> bz_,<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> ps_)</div>
<div class="line"><a name="l00031"></a><span class="lineno"> 31</span>&#160; : <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>(bx_,bxy_,by_,bxz_,byz_,bz_), <a class="code" href="classvoro_1_1voro__base.html" title="Class containing data structures common across all particle container classes.">voro_base</a>(nx_,ny_,nz_,bx_/nx_,by_/ny_,bz_/nz_),</div>
<div class="line"><a name="l00032"></a><span class="lineno"> 32</span>&#160; ey(int(max_uv_y*ysp+1)), ez(int(max_uv_z*zsp+1)), wy(ny+ey), wz(nz+ez),</div>
<div class="line"><a name="l00033"></a><span class="lineno"> 33</span>&#160; oy(ny+2*ey), oz(nz+2*ez), oxyz(nx*oy*oz), id(new int*[oxyz]), p(new double*[oxyz]),</div>
<div class="line"><a name="l00034"></a><span class="lineno"> 34</span>&#160; co(new int[oxyz]), mem(new int[oxyz]), img(new char[oxyz]), init_mem(init_mem_), ps(ps_) {</div>
<div class="line"><a name="l00035"></a><span class="lineno"> 35</span>&#160; <span class="keywordtype">int</span> i,j,k,l;</div>
<div class="line"><a name="l00036"></a><span class="lineno"> 36</span>&#160;</div>
<div class="line"><a name="l00037"></a><span class="lineno"> 37</span>&#160; <span class="comment">// Clear the global arrays</span></div>
<div class="line"><a name="l00038"></a><span class="lineno"> 38</span>&#160; <span class="keywordtype">int</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;<span class="keywordflow">while</span>(pp&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>+<a class="code" href="classvoro_1_1container__periodic__base.html#ae1dfc876e56ec254053c7672b4454313">oxyz</a>) *(pp++)=0;</div>
<div class="line"><a name="l00039"></a><span class="lineno"> 39</span>&#160; pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>;<span class="keywordflow">while</span>(pp&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>+<a class="code" href="classvoro_1_1container__periodic__base.html#ae1dfc876e56ec254053c7672b4454313">oxyz</a>) *(pp++)=0;</div>
<div class="line"><a name="l00040"></a><span class="lineno"> 40</span>&#160; <span class="keywordtype">char</span> *cp=<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>;<span class="keywordflow">while</span>(cp&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>+<a class="code" href="classvoro_1_1container__periodic__base.html#ae1dfc876e56ec254053c7672b4454313">oxyz</a>) *(cp++)=0;</div>
<div class="line"><a name="l00041"></a><span class="lineno"> 41</span>&#160;</div>
<div class="line"><a name="l00042"></a><span class="lineno"> 42</span>&#160; <span class="comment">// Set up memory for the blocks in the primary domain</span></div>
<div class="line"><a name="l00043"></a><span class="lineno"> 43</span>&#160; <span class="keywordflow">for</span>(k=<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>;k&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#afe16d21568925f78421122cdfb7b0cc0">wz</a>;k++) <span class="keywordflow">for</span>(j=<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>;j&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a012ffc20dd6379bcbd26ddc0c5cc8591">wy</a>;j++) <span class="keywordflow">for</span>(i=0;i&lt;<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;i++) {</div>
<div class="line"><a name="l00044"></a><span class="lineno"> 44</span>&#160; l=i+nx*(j+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*k);</div>
<div class="line"><a name="l00045"></a><span class="lineno"> 45</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[l]=<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>;</div>
<div class="line"><a name="l00046"></a><span class="lineno"> 46</span>&#160; <span class="keywordtype">id</span>[l]=<span class="keyword">new</span> <span class="keywordtype">int</span>[<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>];</div>
<div class="line"><a name="l00047"></a><span class="lineno"> 47</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[l]=<span class="keyword">new</span> <span class="keywordtype">double</span>[<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>];</div>
<div class="line"><a name="l00048"></a><span class="lineno"> 48</span>&#160; }</div>
<div class="line"><a name="l00049"></a><span class="lineno"> 49</span>&#160;}</div>
<div class="line"><a name="l00050"></a><span class="lineno"> 50</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00051"></a><span class="lineno"> 51</span>&#160;<span class="comment">/** The container destructor frees the dynamically allocated memory. */</span></div>
<div class="line"><a name="l00052"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a4eacfa1389d290c753df07df3c88e0a7"> 52</a></span>&#160;<a class="code" href="classvoro_1_1container__periodic__base.html#a4eacfa1389d290c753df07df3c88e0a7">container_periodic_base::~container_periodic_base</a>() {</div>
<div class="line"><a name="l00053"></a><span class="lineno"> 53</span>&#160; <span class="keywordflow">for</span>(<span class="keywordtype">int</span> l=<a class="code" href="classvoro_1_1container__periodic__base.html#ae1dfc876e56ec254053c7672b4454313">oxyz</a>-1;l&gt;=0;l--) <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[l]&gt;0) {</div>
<div class="line"><a name="l00054"></a><span class="lineno"> 54</span>&#160; <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[l];</div>
<div class="line"><a name="l00055"></a><span class="lineno"> 55</span>&#160; <span class="keyword">delete</span> [] <span class="keywordtype">id</span>[l];</div>
<div class="line"><a name="l00056"></a><span class="lineno"> 56</span>&#160; }</div>
<div class="line"><a name="l00057"></a><span class="lineno"> 57</span>&#160; <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>;</div>
<div class="line"><a name="l00058"></a><span class="lineno"> 58</span>&#160; <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>;</div>
<div class="line"><a name="l00059"></a><span class="lineno"> 59</span>&#160; <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;</div>
<div class="line"><a name="l00060"></a><span class="lineno"> 60</span>&#160; <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a5abecf243780e08dd6cce6f5dd270c76">id</a>;</div>
<div class="line"><a name="l00061"></a><span class="lineno"> 61</span>&#160; <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>;</div>
<div class="line"><a name="l00062"></a><span class="lineno"> 62</span>&#160;}</div>
<div class="line"><a name="l00063"></a><span class="lineno"> 63</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00064"></a><span class="lineno"> 64</span>&#160;<span class="comment">/** The class constructor sets up the geometry of container.</span></div>
<div class="line"><a name="l00065"></a><span class="lineno"> 65</span>&#160;<span class="comment"> * \param[in] (bx_) The x coordinate of the first unit vector.</span></div>
<div class="line"><a name="l00066"></a><span class="lineno"> 66</span>&#160;<span class="comment"> * \param[in] (bxy_,by_) The x and y coordinates of the second unit vector.</span></div>
<div class="line"><a name="l00067"></a><span class="lineno"> 67</span>&#160;<span class="comment"> * \param[in] (bxz_,byz_,bz_) The x, y, and z coordinates of the third unit</span></div>
<div class="line"><a name="l00068"></a><span class="lineno"> 68</span>&#160;<span class="comment"> * vector.</span></div>
<div class="line"><a name="l00069"></a><span class="lineno"> 69</span>&#160;<span class="comment"> * \param[in] (nx_,ny_,nz_) the number of grid blocks in each of the three</span></div>
<div class="line"><a name="l00070"></a><span class="lineno"> 70</span>&#160;<span class="comment"> * coordinate directions.</span></div>
<div class="line"><a name="l00071"></a><span class="lineno"> 71</span>&#160;<span class="comment"> * \param[in] init_mem_ the initial memory allocation for each block. */</span></div>
<div class="line"><a name="l00072"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#ace68f8fc6073edb7dd41c30761f899fd"> 72</a></span>&#160;<a class="code" href="classvoro_1_1container__periodic.html#ace68f8fc6073edb7dd41c30761f899fd">container_periodic::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="l00073"></a><span class="lineno"> 73</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="l00074"></a><span class="lineno"> 74</span>&#160; : <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>(bx_,bxy_,by_,bxz_,byz_,bz_,nx_,ny_,nz_,init_mem_,3),</div>
<div class="line"><a name="l00075"></a><span class="lineno"> 75</span>&#160; vc(*this,2*nx_+1,2*ey+1,2*ez+1) {}</div>
<div class="line"><a name="l00076"></a><span class="lineno"> 76</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00077"></a><span class="lineno"> 77</span>&#160;<span class="comment">/** The class constructor sets up the geometry of container.</span></div>
<div class="line"><a name="l00078"></a><span class="lineno"> 78</span>&#160;<span class="comment"> * \param[in] (bx_) The x coordinate of the first unit vector.</span></div>
<div class="line"><a name="l00079"></a><span class="lineno"> 79</span>&#160;<span class="comment"> * \param[in] (bxy_,by_) The x and y coordinates of the second unit vector.</span></div>
<div class="line"><a name="l00080"></a><span class="lineno"> 80</span>&#160;<span class="comment"> * \param[in] (bxz_,byz_,bz_) The x, y, and z coordinates of the third unit</span></div>
<div class="line"><a name="l00081"></a><span class="lineno"> 81</span>&#160;<span class="comment"> * vector.</span></div>
<div class="line"><a name="l00082"></a><span class="lineno"> 82</span>&#160;<span class="comment"> * \param[in] (nx_,ny_,nz_) the number of grid blocks in each of the three</span></div>
<div class="line"><a name="l00083"></a><span class="lineno"> 83</span>&#160;<span class="comment"> * coordinate directions.</span></div>
<div class="line"><a name="l00084"></a><span class="lineno"> 84</span>&#160;<span class="comment"> * \param[in] init_mem_ the initial memory allocation for each block. */</span></div>
<div class="line"><a name="l00085"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#adc3616c10fe7b40795951b5cd8dc8c74"> 85</a></span>&#160;<a class="code" href="classvoro_1_1container__periodic__poly.html#adc3616c10fe7b40795951b5cd8dc8c74">container_periodic_poly::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="l00086"></a><span class="lineno"> 86</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="l00087"></a><span class="lineno"> 87</span>&#160; : <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>(bx_,bxy_,by_,bxz_,byz_,bz_,nx_,ny_,nz_,init_mem_,4),</div>
<div class="line"><a name="l00088"></a><span class="lineno"> 88</span>&#160; vc(*this,2*nx_+1,2*ey+1,2*ez+1) {<a class="code" href="classvoro_1_1radius__poly.html#a9e40455c336c27b089c5a78ca94626d8">ppr</a>=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>;}</div>
<div class="line"><a name="l00089"></a><span class="lineno"> 89</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00090"></a><span class="lineno"> 90</span>&#160;<span class="comment">/** Put a particle into the correct region of the container.</span></div>
<div class="line"><a name="l00091"></a><span class="lineno"> 91</span>&#160;<span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span></div>
<div class="line"><a name="l00092"></a><span class="lineno"> 92</span>&#160;<span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle. */</span></div>
<div class="line"><a name="l00093"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6"> 93</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">container_periodic::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="l00094"></a><span class="lineno"> 94</span>&#160; <span class="keywordtype">int</span> ijk;</div>
<div class="line"><a name="l00095"></a><span class="lineno"> 95</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z);</div>
<div class="line"><a name="l00096"></a><span class="lineno"> 96</span>&#160; <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;</div>
<div class="line"><a name="l00097"></a><span class="lineno"> 97</span>&#160; <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+3*co[ijk]++;</div>
<div class="line"><a name="l00098"></a><span class="lineno"> 98</span>&#160; *(pp++)=x;*(pp++)=y;*pp=z;</div>
<div class="line"><a name="l00099"></a><span class="lineno"> 99</span>&#160;}</div>
<div class="line"><a name="l00100"></a><span class="lineno"> 100</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00101"></a><span class="lineno"> 101</span>&#160;<span class="comment">/** Put a particle into the correct region of the container.</span></div>
<div class="line"><a name="l00102"></a><span class="lineno"> 102</span>&#160;<span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span></div>
<div class="line"><a name="l00103"></a><span class="lineno"> 103</span>&#160;<span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle.</span></div>
<div class="line"><a name="l00104"></a><span class="lineno"> 104</span>&#160;<span class="comment"> * \param[in] r the radius of the particle. */</span></div>
<div class="line"><a name="l00105"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4"> 105</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">container_periodic_poly::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="l00106"></a><span class="lineno"> 106</span>&#160; <span class="keywordtype">int</span> ijk;</div>
<div class="line"><a name="l00107"></a><span class="lineno"> 107</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z);</div>
<div class="line"><a name="l00108"></a><span class="lineno"> 108</span>&#160; <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;</div>
<div class="line"><a name="l00109"></a><span class="lineno"> 109</span>&#160; <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+4*co[ijk]++;</div>
<div class="line"><a name="l00110"></a><span class="lineno"> 110</span>&#160; *(pp++)=x;*(pp++)=y;*(pp++)=z;*pp=r;</div>
<div class="line"><a name="l00111"></a><span class="lineno"> 111</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>&lt;r) <a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>=r;</div>
<div class="line"><a name="l00112"></a><span class="lineno"> 112</span>&#160;}</div>
<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00114"></a><span class="lineno"> 114</span>&#160;<span class="comment">/** Put a particle into the correct region of the container.</span></div>
<div class="line"><a name="l00115"></a><span class="lineno"> 115</span>&#160;<span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span></div>
<div class="line"><a name="l00116"></a><span class="lineno"> 116</span>&#160;<span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle.</span></div>
<div class="line"><a name="l00117"></a><span class="lineno"> 117</span>&#160;<span class="comment"> * \param[out] (ai,aj,ak) the periodic image displacement that the particle is</span></div>
<div class="line"><a name="l00118"></a><span class="lineno"> 118</span>&#160;<span class="comment"> * in, with (0,0,0) corresponding to the primary domain.</span></div>
<div class="line"><a name="l00119"></a><span class="lineno"> 119</span>&#160;<span class="comment"> */</span></div>
<div class="line"><a name="l00120"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a354f707360a7e51a56de2eafc10cb43f"> 120</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">container_periodic::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="l00121"></a><span class="lineno"> 121</span>&#160; <span class="keywordtype">int</span> ijk;</div>
<div class="line"><a name="l00122"></a><span class="lineno"> 122</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z,ai,aj,ak);</div>
<div class="line"><a name="l00123"></a><span class="lineno"> 123</span>&#160; <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;</div>
<div class="line"><a name="l00124"></a><span class="lineno"> 124</span>&#160; <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+3*co[ijk]++;</div>
<div class="line"><a name="l00125"></a><span class="lineno"> 125</span>&#160; *(pp++)=x;*(pp++)=y;*pp=z;</div>
<div class="line"><a name="l00126"></a><span class="lineno"> 126</span>&#160;}</div>
<div class="line"><a name="l00127"></a><span class="lineno"> 127</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00128"></a><span class="lineno"> 128</span>&#160;<span class="comment">/** Put a particle into the correct region of the container.</span></div>
<div class="line"><a name="l00129"></a><span class="lineno"> 129</span>&#160;<span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span></div>
<div class="line"><a name="l00130"></a><span class="lineno"> 130</span>&#160;<span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle.</span></div>
<div class="line"><a name="l00131"></a><span class="lineno"> 131</span>&#160;<span class="comment"> * \param[in] r the radius of the particle.</span></div>
<div class="line"><a name="l00132"></a><span class="lineno"> 132</span>&#160;<span class="comment"> * \param[out] (ai,aj,ak) the periodic image displacement that the particle is</span></div>
<div class="line"><a name="l00133"></a><span class="lineno"> 133</span>&#160;<span class="comment"> * in, with (0,0,0) corresponding to the primary domain.</span></div>
<div class="line"><a name="l00134"></a><span class="lineno"> 134</span>&#160;<span class="comment"> */</span></div>
<div class="line"><a name="l00135"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a4bc65fd86de5d00d3de49553aec76022"> 135</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">container_periodic_poly::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="l00136"></a><span class="lineno"> 136</span>&#160; <span class="keywordtype">int</span> ijk;</div>
<div class="line"><a name="l00137"></a><span class="lineno"> 137</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z,ai,aj,ak);</div>
<div class="line"><a name="l00138"></a><span class="lineno"> 138</span>&#160; <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;</div>
<div class="line"><a name="l00139"></a><span class="lineno"> 139</span>&#160; <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+4*co[ijk]++;</div>
<div class="line"><a name="l00140"></a><span class="lineno"> 140</span>&#160; *(pp++)=x;*(pp++)=y;*(pp++)=z;*pp=r;</div>
<div class="line"><a name="l00141"></a><span class="lineno"> 141</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>&lt;r) <a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>=r;</div>
<div class="line"><a name="l00142"></a><span class="lineno"> 142</span>&#160;}</div>
<div class="line"><a name="l00143"></a><span class="lineno"> 143</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00144"></a><span class="lineno"> 144</span>&#160;<span class="comment">/** Put a particle into the correct region of the container, also recording</span></div>
<div class="line"><a name="l00145"></a><span class="lineno"> 145</span>&#160;<span class="comment"> * into which region it was stored.</span></div>
<div class="line"><a name="l00146"></a><span class="lineno"> 146</span>&#160;<span class="comment"> * \param[in] vo the ordering class in which to record the region.</span></div>
<div class="line"><a name="l00147"></a><span class="lineno"> 147</span>&#160;<span class="comment"> * \param[in] n the numerical ID of the inserted particle.</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 vector of the inserted particle. */</span></div>
<div class="line"><a name="l00149"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#ad3987d5710d793bdd604f12eeaa326f0"> 149</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">container_periodic::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="l00150"></a><span class="lineno"> 150</span>&#160; <span class="keywordtype">int</span> ijk;</div>
<div class="line"><a name="l00151"></a><span class="lineno"> 151</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z);</div>
<div class="line"><a name="l00152"></a><span class="lineno"> 152</span>&#160; <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;</div>
<div class="line"><a name="l00153"></a><span class="lineno"> 153</span>&#160; vo.<a class="code" href="classvoro_1_1particle__order.html#adabcf6cd995eb03fe007844ba5637a8a">add</a>(ijk,co[ijk]);</div>
<div class="line"><a name="l00154"></a><span class="lineno"> 154</span>&#160; <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+3*co[ijk]++;</div>
<div class="line"><a name="l00155"></a><span class="lineno"> 155</span>&#160; *(pp++)=x;*(pp++)=y;*pp=z;</div>
<div class="line"><a name="l00156"></a><span class="lineno"> 156</span>&#160;}</div>
<div class="line"><a name="l00157"></a><span class="lineno"> 157</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00158"></a><span class="lineno"> 158</span>&#160;<span class="comment">/** Put a particle into the correct region of the container, also recording</span></div>
<div class="line"><a name="l00159"></a><span class="lineno"> 159</span>&#160;<span class="comment"> * into which region it was stored.</span></div>
<div class="line"><a name="l00160"></a><span class="lineno"> 160</span>&#160;<span class="comment"> * \param[in] vo the ordering class in which to record the region.</span></div>
<div class="line"><a name="l00161"></a><span class="lineno"> 161</span>&#160;<span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span></div>
<div class="line"><a name="l00162"></a><span class="lineno"> 162</span>&#160;<span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle.</span></div>
<div class="line"><a name="l00163"></a><span class="lineno"> 163</span>&#160;<span class="comment"> * \param[in] r the radius of the particle. */</span></div>
<div class="line"><a name="l00164"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a2b0a71bfb4fb576df45d8a4bcbc888cd"> 164</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">container_periodic_poly::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="l00165"></a><span class="lineno"> 165</span>&#160; <span class="keywordtype">int</span> ijk;</div>
<div class="line"><a name="l00166"></a><span class="lineno"> 166</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z);</div>
<div class="line"><a name="l00167"></a><span class="lineno"> 167</span>&#160; <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;</div>
<div class="line"><a name="l00168"></a><span class="lineno"> 168</span>&#160; vo.<a class="code" href="classvoro_1_1particle__order.html#adabcf6cd995eb03fe007844ba5637a8a">add</a>(ijk,co[ijk]);</div>
<div class="line"><a name="l00169"></a><span class="lineno"> 169</span>&#160; <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+4*co[ijk]++;</div>
<div class="line"><a name="l00170"></a><span class="lineno"> 170</span>&#160; *(pp++)=x;*(pp++)=y;*(pp++)=z;*pp=r;</div>
<div class="line"><a name="l00171"></a><span class="lineno"> 171</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>&lt;r) <a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>=r;</div>
<div class="line"><a name="l00172"></a><span class="lineno"> 172</span>&#160;}</div>
<div class="line"><a name="l00173"></a><span class="lineno"> 173</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00174"></a><span class="lineno"> 174</span>&#160;<span class="comment">/** Takes a particle position vector and computes the region index into which</span></div>
<div class="line"><a name="l00175"></a><span class="lineno"> 175</span>&#160;<span class="comment"> * it should be stored. If the container is periodic, then the routine also</span></div>
<div class="line"><a name="l00176"></a><span class="lineno"> 176</span>&#160;<span class="comment"> * maps the particle position to ensure it is in the primary domain. If the</span></div>
<div class="line"><a name="l00177"></a><span class="lineno"> 177</span>&#160;<span class="comment"> * container is not periodic, the routine bails out.</span></div>
<div class="line"><a name="l00178"></a><span class="lineno"> 178</span>&#160;<span class="comment"> * \param[out] ijk the region index.</span></div>
<div class="line"><a name="l00179"></a><span class="lineno"> 179</span>&#160;<span class="comment"> * \param[in,out] (x,y,z) the particle position, remapped into the primary</span></div>
<div class="line"><a name="l00180"></a><span class="lineno"> 180</span>&#160;<span class="comment"> * domain if necessary.</span></div>
<div class="line"><a name="l00181"></a><span class="lineno"> 181</span>&#160;<span class="comment"> * \return True if the particle can be successfully placed into the container,</span></div>
<div class="line"><a name="l00182"></a><span class="lineno"> 182</span>&#160;<span class="comment"> * false otherwise. */</span></div>
<div class="line"><a name="l00183"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05"> 183</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">container_periodic_base::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="l00184"></a><span class="lineno"> 184</span>&#160;</div>
<div class="line"><a name="l00185"></a><span class="lineno"> 185</span>&#160; <span class="comment">// Remap particle in the z direction if necessary</span></div>
<div class="line"><a name="l00186"></a><span class="lineno"> 186</span>&#160; <span class="keywordtype">int</span> k=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(z*<a class="code" href="classvoro_1_1voro__base.html#ac51553412117b42816210e54805ad278">zsp</a>);</div>
<div class="line"><a name="l00187"></a><span class="lineno"> 187</span>&#160; <span class="keywordflow">if</span>(k&lt;0||k&gt;=<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>) {</div>
<div class="line"><a name="l00188"></a><span class="lineno"> 188</span>&#160; <span class="keywordtype">int</span> ak=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(k,<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>);</div>
<div class="line"><a name="l00189"></a><span class="lineno"> 189</span>&#160; z-=ak*<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>;y-=ak*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>;x-=ak*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>;k-=ak*<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;</div>
<div class="line"><a name="l00190"></a><span class="lineno"> 190</span>&#160; }</div>
<div class="line"><a name="l00191"></a><span class="lineno"> 191</span>&#160;</div>
<div class="line"><a name="l00192"></a><span class="lineno"> 192</span>&#160; <span class="comment">// Remap particle in the y direction if necessary</span></div>
<div class="line"><a name="l00193"></a><span class="lineno"> 193</span>&#160; <span class="keywordtype">int</span> j=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(y*<a class="code" href="classvoro_1_1voro__base.html#a300808cb0ccab85eb61dd0b25a5076de">ysp</a>);</div>
<div class="line"><a name="l00194"></a><span class="lineno"> 194</span>&#160; <span class="keywordflow">if</span>(j&lt;0||j&gt;=<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>) {</div>
<div class="line"><a name="l00195"></a><span class="lineno"> 195</span>&#160; <span class="keywordtype">int</span> aj=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(j,<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>);</div>
<div class="line"><a name="l00196"></a><span class="lineno"> 196</span>&#160; y-=aj*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;x-=aj*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>;j-=aj*<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;</div>
<div class="line"><a name="l00197"></a><span class="lineno"> 197</span>&#160; }</div>
<div class="line"><a name="l00198"></a><span class="lineno"> 198</span>&#160;</div>
<div class="line"><a name="l00199"></a><span class="lineno"> 199</span>&#160; <span class="comment">// Remap particle in the x direction if necessary</span></div>
<div class="line"><a name="l00200"></a><span class="lineno"> 200</span>&#160; ijk=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(x*<a class="code" href="classvoro_1_1voro__base.html#ad708515772990e5b2fa4e93c330f7aa0">xsp</a>);</div>
<div class="line"><a name="l00201"></a><span class="lineno"> 201</span>&#160; <span class="keywordflow">if</span>(ijk&lt;0||ijk&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) {</div>
<div class="line"><a name="l00202"></a><span class="lineno"> 202</span>&#160; <span class="keywordtype">int</span> ai=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ijk,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>);</div>
<div class="line"><a name="l00203"></a><span class="lineno"> 203</span>&#160; x-=ai*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;ijk-=ai*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;</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;</div>
<div class="line"><a name="l00206"></a><span class="lineno"> 206</span>&#160; <span class="comment">// Compute the block index and check memory allocation</span></div>
<div class="line"><a name="l00207"></a><span class="lineno"> 207</span>&#160; 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="l00208"></a><span class="lineno"> 208</span>&#160; ijk+=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(j+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*k);</div>
<div class="line"><a name="l00209"></a><span class="lineno"> 209</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]==<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[ijk]) <a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a">add_particle_memory</a>(ijk);</div>
<div class="line"><a name="l00210"></a><span class="lineno"> 210</span>&#160;}</div>
<div class="line"><a name="l00211"></a><span class="lineno"> 211</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00212"></a><span class="lineno"> 212</span>&#160;<span class="comment">/** Takes a particle position vector and computes the region index into which</span></div>
<div class="line"><a name="l00213"></a><span class="lineno"> 213</span>&#160;<span class="comment"> * it should be stored. If the container is periodic, then the routine also</span></div>
<div class="line"><a name="l00214"></a><span class="lineno"> 214</span>&#160;<span class="comment"> * maps the particle position to ensure it is in the primary domain. If the</span></div>
<div class="line"><a name="l00215"></a><span class="lineno"> 215</span>&#160;<span class="comment"> * container is not periodic, the routine bails out.</span></div>
<div class="line"><a name="l00216"></a><span class="lineno"> 216</span>&#160;<span class="comment"> * \param[out] ijk the region index.</span></div>
<div class="line"><a name="l00217"></a><span class="lineno"> 217</span>&#160;<span class="comment"> * \param[in,out] (x,y,z) the particle position, remapped into the primary</span></div>
<div class="line"><a name="l00218"></a><span class="lineno"> 218</span>&#160;<span class="comment"> * domain if necessary.</span></div>
<div class="line"><a name="l00219"></a><span class="lineno"> 219</span>&#160;<span class="comment"> * \param[out] (ai,aj,ak) the periodic image displacement that the particle is</span></div>
<div class="line"><a name="l00220"></a><span class="lineno"> 220</span>&#160;<span class="comment"> * in, with (0,0,0) corresponding to the primary domain.</span></div>
<div class="line"><a name="l00221"></a><span class="lineno"> 221</span>&#160;<span class="comment"> * \return True if the particle can be successfully placed into the container,</span></div>
<div class="line"><a name="l00222"></a><span class="lineno"> 222</span>&#160;<span class="comment"> * false otherwise. */</span></div>
<div class="line"><a name="l00223"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a8d0c8a32a6e31cdd8eecb335f5f68d22"> 223</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">container_periodic_base::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) {</div>
<div class="line"><a name="l00224"></a><span class="lineno"> 224</span>&#160;</div>
<div class="line"><a name="l00225"></a><span class="lineno"> 225</span>&#160; <span class="comment">// Remap particle in the z direction if necessary</span></div>
<div class="line"><a name="l00226"></a><span class="lineno"> 226</span>&#160; <span class="keywordtype">int</span> k=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(z*<a class="code" href="classvoro_1_1voro__base.html#ac51553412117b42816210e54805ad278">zsp</a>);</div>
<div class="line"><a name="l00227"></a><span class="lineno"> 227</span>&#160; <span class="keywordflow">if</span>(k&lt;0||k&gt;=<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>) {</div>
<div class="line"><a name="l00228"></a><span class="lineno"> 228</span>&#160; ak=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(k,<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>);</div>
<div class="line"><a name="l00229"></a><span class="lineno"> 229</span>&#160; z-=ak*<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>;y-=ak*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>;x-=ak*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>;k-=ak*<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;</div>
<div class="line"><a name="l00230"></a><span class="lineno"> 230</span>&#160; } <span class="keywordflow">else</span> ak=0;</div>
<div class="line"><a name="l00231"></a><span class="lineno"> 231</span>&#160;</div>
<div class="line"><a name="l00232"></a><span class="lineno"> 232</span>&#160; <span class="comment">// Remap particle in the y direction if necessary</span></div>
<div class="line"><a name="l00233"></a><span class="lineno"> 233</span>&#160; <span class="keywordtype">int</span> j=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(y*<a class="code" href="classvoro_1_1voro__base.html#a300808cb0ccab85eb61dd0b25a5076de">ysp</a>);</div>
<div class="line"><a name="l00234"></a><span class="lineno"> 234</span>&#160; <span class="keywordflow">if</span>(j&lt;0||j&gt;=<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>) {</div>
<div class="line"><a name="l00235"></a><span class="lineno"> 235</span>&#160; aj=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(j,<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>);</div>
<div class="line"><a name="l00236"></a><span class="lineno"> 236</span>&#160; y-=aj*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;x-=aj*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>;j-=aj*<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;</div>
<div class="line"><a name="l00237"></a><span class="lineno"> 237</span>&#160; } <span class="keywordflow">else</span> aj=0;</div>
<div class="line"><a name="l00238"></a><span class="lineno"> 238</span>&#160;</div>
<div class="line"><a name="l00239"></a><span class="lineno"> 239</span>&#160; <span class="comment">// Remap particle in the x direction if necessary</span></div>
<div class="line"><a name="l00240"></a><span class="lineno"> 240</span>&#160; ijk=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(x*<a class="code" href="classvoro_1_1voro__base.html#ad708515772990e5b2fa4e93c330f7aa0">xsp</a>);</div>
<div class="line"><a name="l00241"></a><span class="lineno"> 241</span>&#160; <span class="keywordflow">if</span>(ijk&lt;0||ijk&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) {</div>
<div class="line"><a name="l00242"></a><span class="lineno"> 242</span>&#160; ai=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ijk,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>);</div>
<div class="line"><a name="l00243"></a><span class="lineno"> 243</span>&#160; x-=ai*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;ijk-=ai*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;</div>
<div class="line"><a name="l00244"></a><span class="lineno"> 244</span>&#160; } <span class="keywordflow">else</span> ai=0;</div>
<div class="line"><a name="l00245"></a><span class="lineno"> 245</span>&#160;</div>
<div class="line"><a name="l00246"></a><span class="lineno"> 246</span>&#160; <span class="comment">// Compute the block index and check memory allocation</span></div>
<div class="line"><a name="l00247"></a><span class="lineno"> 247</span>&#160; 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="l00248"></a><span class="lineno"> 248</span>&#160; ijk+=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(j+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*k);</div>
<div class="line"><a name="l00249"></a><span class="lineno"> 249</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]==<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[ijk]) <a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a">add_particle_memory</a>(ijk);</div>
<div class="line"><a name="l00250"></a><span class="lineno"> 250</span>&#160;}</div>
<div class="line"><a name="l00251"></a><span class="lineno"> 251</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00252"></a><span class="lineno"> 252</span>&#160;<span class="comment">/** Takes a position vector and remaps it into the primary domain.</span></div>
<div class="line"><a name="l00253"></a><span class="lineno"> 253</span>&#160;<span class="comment"> * \param[out] (ai,aj,ak) the periodic image displacement that the vector is in,</span></div>
<div class="line"><a name="l00254"></a><span class="lineno"> 254</span>&#160;<span class="comment"> * with (0,0,0) corresponding to the primary domain.</span></div>
<div class="line"><a name="l00255"></a><span class="lineno"> 255</span>&#160;<span class="comment"> * \param[out] (ci,cj,ck) the index of the block that the position vector is</span></div>
<div class="line"><a name="l00256"></a><span class="lineno"> 256</span>&#160;<span class="comment"> * within, once it has been remapped.</span></div>
<div class="line"><a name="l00257"></a><span class="lineno"> 257</span>&#160;<span class="comment"> * \param[in,out] (x,y,z) the position vector to consider, which is remapped</span></div>
<div class="line"><a name="l00258"></a><span class="lineno"> 258</span>&#160;<span class="comment"> * into the primary domain during the routine.</span></div>
<div class="line"><a name="l00259"></a><span class="lineno"> 259</span>&#160;<span class="comment"> * \param[out] ijk the block index that the vector is within. */</span></div>
<div class="line"><a name="l00260"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#ac5b0b78cf8fe46f7e3c7124dbf4e0729"> 260</a></span>&#160;<span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#ac5b0b78cf8fe46f7e3c7124dbf4e0729">container_periodic_base::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="l00261"></a><span class="lineno"> 261</span>&#160;</div>
<div class="line"><a name="l00262"></a><span class="lineno"> 262</span>&#160; <span class="comment">// Remap particle in the z direction if necessary</span></div>
<div class="line"><a name="l00263"></a><span class="lineno"> 263</span>&#160; ck=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(z*<a class="code" href="classvoro_1_1voro__base.html#ac51553412117b42816210e54805ad278">zsp</a>);</div>
<div class="line"><a name="l00264"></a><span class="lineno"> 264</span>&#160; <span class="keywordflow">if</span>(ck&lt;0||ck&gt;=<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>) {</div>
<div class="line"><a name="l00265"></a><span class="lineno"> 265</span>&#160; ak=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ck,<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>);</div>
<div class="line"><a name="l00266"></a><span class="lineno"> 266</span>&#160; z-=ak*<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>;y-=ak*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>;x-=ak*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>;ck-=ak*<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;</div>
<div class="line"><a name="l00267"></a><span class="lineno"> 267</span>&#160; } <span class="keywordflow">else</span> ak=0;</div>
<div class="line"><a name="l00268"></a><span class="lineno"> 268</span>&#160;</div>
<div class="line"><a name="l00269"></a><span class="lineno"> 269</span>&#160; <span class="comment">// Remap particle in the y direction if necessary</span></div>
<div class="line"><a name="l00270"></a><span class="lineno"> 270</span>&#160; cj=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(y*<a class="code" href="classvoro_1_1voro__base.html#a300808cb0ccab85eb61dd0b25a5076de">ysp</a>);</div>
<div class="line"><a name="l00271"></a><span class="lineno"> 271</span>&#160; <span class="keywordflow">if</span>(cj&lt;0||cj&gt;=<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>) {</div>
<div class="line"><a name="l00272"></a><span class="lineno"> 272</span>&#160; aj=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(cj,<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>);</div>
<div class="line"><a name="l00273"></a><span class="lineno"> 273</span>&#160; y-=aj*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;x-=aj*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>;cj-=aj*<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;</div>
<div class="line"><a name="l00274"></a><span class="lineno"> 274</span>&#160; } <span class="keywordflow">else</span> aj=0;</div>
<div class="line"><a name="l00275"></a><span class="lineno"> 275</span>&#160;</div>
<div class="line"><a name="l00276"></a><span class="lineno"> 276</span>&#160; <span class="comment">// Remap particle in the x direction if necessary</span></div>
<div class="line"><a name="l00277"></a><span class="lineno"> 277</span>&#160; ci=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(x*<a class="code" href="classvoro_1_1voro__base.html#ad708515772990e5b2fa4e93c330f7aa0">xsp</a>);</div>
<div class="line"><a name="l00278"></a><span class="lineno"> 278</span>&#160; <span class="keywordflow">if</span>(ci&lt;0||ci&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) {</div>
<div class="line"><a name="l00279"></a><span class="lineno"> 279</span>&#160; ai=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ci,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>);</div>
<div class="line"><a name="l00280"></a><span class="lineno"> 280</span>&#160; x-=ai*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;ci-=ai*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;</div>
<div class="line"><a name="l00281"></a><span class="lineno"> 281</span>&#160; } <span class="keywordflow">else</span> ai=0;</div>
<div class="line"><a name="l00282"></a><span class="lineno"> 282</span>&#160;</div>
<div class="line"><a name="l00283"></a><span class="lineno"> 283</span>&#160; cj+=<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>;ck+=<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>;</div>
<div class="line"><a name="l00284"></a><span class="lineno"> 284</span>&#160; ijk=ci+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(cj+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*ck);</div>
<div class="line"><a name="l00285"></a><span class="lineno"> 285</span>&#160;}</div>
<div class="line"><a name="l00286"></a><span class="lineno"> 286</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00287"></a><span class="lineno"> 287</span>&#160;<span class="comment">/** Takes a vector and finds the particle whose Voronoi cell contains that</span></div>
<div class="line"><a name="l00288"></a><span class="lineno"> 288</span>&#160;<span class="comment"> * vector. This is equivalent to finding the particle which is nearest to the</span></div>
<div class="line"><a name="l00289"></a><span class="lineno"> 289</span>&#160;<span class="comment"> * vector.</span></div>
<div class="line"><a name="l00290"></a><span class="lineno"> 290</span>&#160;<span class="comment"> * \param[in] (x,y,z) the vector to test.</span></div>
<div class="line"><a name="l00291"></a><span class="lineno"> 291</span>&#160;<span class="comment"> * \param[out] (rx,ry,rz) the position of the particle whose Voronoi cell</span></div>
<div class="line"><a name="l00292"></a><span class="lineno"> 292</span>&#160;<span class="comment"> * contains the vector. This may point to a particle in</span></div>
<div class="line"><a name="l00293"></a><span class="lineno"> 293</span>&#160;<span class="comment"> * a periodic image of the primary domain.</span></div>
<div class="line"><a name="l00294"></a><span class="lineno"> 294</span>&#160;<span class="comment"> * \param[out] pid the ID of the particle.</span></div>
<div class="line"><a name="l00295"></a><span class="lineno"> 295</span>&#160;<span class="comment"> * \return True if a particle was found. If the container has no particles,</span></div>
<div class="line"><a name="l00296"></a><span class="lineno"> 296</span>&#160;<span class="comment"> * then the search will not find a Voronoi cell and false is returned. */</span></div>
<div class="line"><a name="l00297"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a5fa97cb936062142acc29e5870add6c6"> 297</a></span>&#160;<span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic.html#a5fa97cb936062142acc29e5870add6c6">container_periodic::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="l00298"></a><span class="lineno"> 298</span>&#160; <span class="keywordtype">int</span> ai,aj,ak,ci,cj,ck,ijk;</div>
<div class="line"><a name="l00299"></a><span class="lineno"> 299</span>&#160; <a class="code" href="structvoro_1_1particle__record.html" title="Structure for holding information about a particle.">particle_record</a> w;</div>
<div class="line"><a name="l00300"></a><span class="lineno"> 300</span>&#160; <span class="keywordtype">double</span> mrs;</div>
<div class="line"><a name="l00301"></a><span class="lineno"> 301</span>&#160;</div>
<div class="line"><a name="l00302"></a><span class="lineno"> 302</span>&#160; <span class="comment">// Remap the vector into the primary domain and then search for the</span></div>
<div class="line"><a name="l00303"></a><span class="lineno"> 303</span>&#160; <span class="comment">// Voronoi cell that it is within</span></div>
<div class="line"><a name="l00304"></a><span class="lineno"> 304</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#ac5b0b78cf8fe46f7e3c7124dbf4e0729">remap</a>(ai,aj,ak,ci,cj,ck,x,y,z,ijk);</div>
<div class="line"><a name="l00305"></a><span class="lineno"> 305</span>&#160; vc.<a class="code" href="classvoro_1_1voro__compute.html#aa0b01474a0cf0b230b736e7352404d8d">find_voronoi_cell</a>(x,y,z,ci,cj,ck,ijk,w,mrs);</div>
<div class="line"><a name="l00306"></a><span class="lineno"> 306</span>&#160;</div>
<div class="line"><a name="l00307"></a><span class="lineno"> 307</span>&#160; <span class="keywordflow">if</span>(w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>!=-1) {</div>
<div class="line"><a name="l00308"></a><span class="lineno"> 308</span>&#160;</div>
<div class="line"><a name="l00309"></a><span class="lineno"> 309</span>&#160; <span class="comment">// Assemble the position vector of the particle to be returned,</span></div>
<div class="line"><a name="l00310"></a><span class="lineno"> 310</span>&#160; <span class="comment">// applying a periodic remapping if necessary</span></div>
<div class="line"><a name="l00311"></a><span class="lineno"> 311</span>&#160; ci+=w.<a class="code" href="structvoro_1_1particle__record.html#a36ea6a17eb9dc145a3e5f14720b30d15">di</a>;<span class="keywordflow">if</span>(ci&lt;0||ci&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) ai+=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ci,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>);</div>
<div class="line"><a name="l00312"></a><span class="lineno"> 312</span>&#160; rx=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][3*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>]+ak*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>+aj*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>+ai*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;</div>
<div class="line"><a name="l00313"></a><span class="lineno"> 313</span>&#160; ry=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][3*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>+1]+ak*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>+aj*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;</div>
<div class="line"><a name="l00314"></a><span class="lineno"> 314</span>&#160; rz=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][3*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>+2]+ak*<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>;</div>
<div class="line"><a name="l00315"></a><span class="lineno"> 315</span>&#160; pid=<span class="keywordtype">id</span>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>];</div>
<div class="line"><a name="l00316"></a><span class="lineno"> 316</span>&#160; <span class="keywordflow">return</span> <span class="keyword">true</span>;</div>
<div class="line"><a name="l00317"></a><span class="lineno"> 317</span>&#160; }</div>
<div class="line"><a name="l00318"></a><span class="lineno"> 318</span>&#160; <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
<div class="line"><a name="l00319"></a><span class="lineno"> 319</span>&#160;}</div>
<div class="line"><a name="l00320"></a><span class="lineno"> 320</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00321"></a><span class="lineno"> 321</span>&#160;<span class="comment">/** Takes a vector and finds the particle whose Voronoi cell contains that</span></div>
<div class="line"><a name="l00322"></a><span class="lineno"> 322</span>&#160;<span class="comment"> * vector. Additional wall classes are not considered by this routine.</span></div>
<div class="line"><a name="l00323"></a><span class="lineno"> 323</span>&#160;<span class="comment"> * \param[in] (x,y,z) the vector to test.</span></div>
<div class="line"><a name="l00324"></a><span class="lineno"> 324</span>&#160;<span class="comment"> * \param[out] (rx,ry,rz) the position of the particle whose Voronoi cell</span></div>
<div class="line"><a name="l00325"></a><span class="lineno"> 325</span>&#160;<span class="comment"> * contains the vector. If the container is periodic,</span></div>
<div class="line"><a name="l00326"></a><span class="lineno"> 326</span>&#160;<span class="comment"> * this may point to a particle in a periodic image of</span></div>
<div class="line"><a name="l00327"></a><span class="lineno"> 327</span>&#160;<span class="comment"> * the primary domain.</span></div>
<div class="line"><a name="l00328"></a><span class="lineno"> 328</span>&#160;<span class="comment"> * \param[out] pid the ID of the particle.</span></div>
<div class="line"><a name="l00329"></a><span class="lineno"> 329</span>&#160;<span class="comment"> * \return True if a particle was found. If the container has no particles,</span></div>
<div class="line"><a name="l00330"></a><span class="lineno"> 330</span>&#160;<span class="comment"> * then the search will not find a Voronoi cell and false is returned. */</span></div>
<div class="line"><a name="l00331"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#ac3536b067b34a16efada8286ebc50586"> 331</a></span>&#160;<span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#ac3536b067b34a16efada8286ebc50586">container_periodic_poly::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="l00332"></a><span class="lineno"> 332</span>&#160; <span class="keywordtype">int</span> ai,aj,ak,ci,cj,ck,ijk;</div>
<div class="line"><a name="l00333"></a><span class="lineno"> 333</span>&#160; <a class="code" href="structvoro_1_1particle__record.html" title="Structure for holding information about a particle.">particle_record</a> w;</div>
<div class="line"><a name="l00334"></a><span class="lineno"> 334</span>&#160; <span class="keywordtype">double</span> mrs;</div>
<div class="line"><a name="l00335"></a><span class="lineno"> 335</span>&#160;</div>
<div class="line"><a name="l00336"></a><span class="lineno"> 336</span>&#160; <span class="comment">// Remap the vector into the primary domain and then search for the</span></div>
<div class="line"><a name="l00337"></a><span class="lineno"> 337</span>&#160; <span class="comment">// Voronoi cell that it is within</span></div>
<div class="line"><a name="l00338"></a><span class="lineno"> 338</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#ac5b0b78cf8fe46f7e3c7124dbf4e0729">remap</a>(ai,aj,ak,ci,cj,ck,x,y,z,ijk);</div>
<div class="line"><a name="l00339"></a><span class="lineno"> 339</span>&#160; vc.<a class="code" href="classvoro_1_1voro__compute.html#aa0b01474a0cf0b230b736e7352404d8d">find_voronoi_cell</a>(x,y,z,ci,cj,ck,ijk,w,mrs);</div>
<div class="line"><a name="l00340"></a><span class="lineno"> 340</span>&#160;</div>
<div class="line"><a name="l00341"></a><span class="lineno"> 341</span>&#160; <span class="keywordflow">if</span>(w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>!=-1) {</div>
<div class="line"><a name="l00342"></a><span class="lineno"> 342</span>&#160;</div>
<div class="line"><a name="l00343"></a><span class="lineno"> 343</span>&#160; <span class="comment">// Assemble the position vector of the particle to be returned,</span></div>
<div class="line"><a name="l00344"></a><span class="lineno"> 344</span>&#160; <span class="comment">// applying a periodic remapping if necessary</span></div>
<div class="line"><a name="l00345"></a><span class="lineno"> 345</span>&#160; ci+=w.<a class="code" href="structvoro_1_1particle__record.html#a36ea6a17eb9dc145a3e5f14720b30d15">di</a>;<span class="keywordflow">if</span>(ci&lt;0||ci&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) ai+=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ci,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>);</div>
<div class="line"><a name="l00346"></a><span class="lineno"> 346</span>&#160; rx=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][4*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>]+ak*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>+aj*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>+ai*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;</div>
<div class="line"><a name="l00347"></a><span class="lineno"> 347</span>&#160; ry=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][4*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>+1]+ak*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>+aj*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;</div>
<div class="line"><a name="l00348"></a><span class="lineno"> 348</span>&#160; rz=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][4*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>+2]+ak*<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>;</div>
<div class="line"><a name="l00349"></a><span class="lineno"> 349</span>&#160; pid=<span class="keywordtype">id</span>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>];</div>
<div class="line"><a name="l00350"></a><span class="lineno"> 350</span>&#160; <span class="keywordflow">return</span> <span class="keyword">true</span>;</div>
<div class="line"><a name="l00351"></a><span class="lineno"> 351</span>&#160; }</div>
<div class="line"><a name="l00352"></a><span class="lineno"> 352</span>&#160; <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
<div class="line"><a name="l00353"></a><span class="lineno"> 353</span>&#160;}</div>
<div class="line"><a name="l00354"></a><span class="lineno"> 354</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00355"></a><span class="lineno"> 355</span>&#160;<span class="comment">/** Increase memory for a particular region.</span></div>
<div class="line"><a name="l00356"></a><span class="lineno"> 356</span>&#160;<span class="comment"> * \param[in] i the index of the region to reallocate. */</span></div>
<div class="line"><a name="l00357"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a"> 357</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a">container_periodic_base::add_particle_memory</a>(<span class="keywordtype">int</span> i) {</div>
<div class="line"><a name="l00358"></a><span class="lineno"> 358</span>&#160;</div>
<div class="line"><a name="l00359"></a><span class="lineno"> 359</span>&#160; <span class="comment">// Handle the case when no memory has been allocated for this block</span></div>
<div class="line"><a name="l00360"></a><span class="lineno"> 360</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[i]==0) {</div>
<div class="line"><a name="l00361"></a><span class="lineno"> 361</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[i]=<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>;</div>
<div class="line"><a name="l00362"></a><span class="lineno"> 362</span>&#160; <span class="keywordtype">id</span>[i]=<span class="keyword">new</span> <span class="keywordtype">int</span>[<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>];</div>
<div class="line"><a name="l00363"></a><span class="lineno"> 363</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[i]=<span class="keyword">new</span> <span class="keywordtype">double</span>[<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>];</div>
<div class="line"><a name="l00364"></a><span class="lineno"> 364</span>&#160; <span class="keywordflow">return</span>;</div>
<div class="line"><a name="l00365"></a><span class="lineno"> 365</span>&#160; }</div>
<div class="line"><a name="l00366"></a><span class="lineno"> 366</span>&#160;</div>
<div class="line"><a name="l00367"></a><span class="lineno"> 367</span>&#160; <span class="comment">// Otherwise, double the memory allocation for this block. Carry out a</span></div>
<div class="line"><a name="l00368"></a><span class="lineno"> 368</span>&#160; <span class="comment">// check on the memory allocation size, and print a status message if</span></div>
<div class="line"><a name="l00369"></a><span class="lineno"> 369</span>&#160; <span class="comment">// requested.</span></div>
<div class="line"><a name="l00370"></a><span class="lineno"> 370</span>&#160; <span class="keywordtype">int</span> l,nmem(<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[i]&lt;&lt;1);</div>
<div class="line"><a name="l00371"></a><span class="lineno"> 371</span>&#160; <span class="keywordflow">if</span>(nmem&gt;max_particle_memory)</div>
<div class="line"><a name="l00372"></a><span class="lineno"> 372</span>&#160; voro_fatal_error(<span class="stringliteral">&quot;Absolute maximum memory allocation exceeded&quot;</span>,<a class="code" href="config_8hh.html#a5dc0616f8a67ae3d1c2ba8a3dcf5612b">VOROPP_MEMORY_ERROR</a>);</div>
<div class="line"><a name="l00373"></a><span class="lineno"> 373</span>&#160;<span class="preprocessor">#if VOROPP_VERBOSE &gt;=3</span></div>
<div class="line"><a name="l00374"></a><span class="lineno"> 374</span>&#160;<span class="preprocessor"></span> fprintf(stderr,<span class="stringliteral">&quot;Particle memory in region %d scaled up to %d\n&quot;</span>,i,nmem);</div>
<div class="line"><a name="l00375"></a><span class="lineno"> 375</span>&#160;<span class="preprocessor">#endif</span></div>
<div class="line"><a name="l00376"></a><span class="lineno"> 376</span>&#160;<span class="preprocessor"></span></div>
<div class="line"><a name="l00377"></a><span class="lineno"> 377</span>&#160; <span class="comment">// Allocate new memory and copy in the contents of the old arrays</span></div>
<div class="line"><a name="l00378"></a><span class="lineno"> 378</span>&#160; <span class="keywordtype">int</span> *idp=<span class="keyword">new</span> <span class="keywordtype">int</span>[nmem];</div>
<div class="line"><a name="l00379"></a><span class="lineno"> 379</span>&#160; <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[i];l++) idp[l]=<span class="keywordtype">id</span>[i][l];</div>
<div class="line"><a name="l00380"></a><span class="lineno"> 380</span>&#160; <span class="keywordtype">double</span> *pp=<span class="keyword">new</span> <span class="keywordtype">double</span>[<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*nmem];</div>
<div class="line"><a name="l00381"></a><span class="lineno"> 381</span>&#160; <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*co[i];l++) pp[l]=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[i][l];</div>
<div class="line"><a name="l00382"></a><span class="lineno"> 382</span>&#160;</div>
<div class="line"><a name="l00383"></a><span class="lineno"> 383</span>&#160; <span class="comment">// Update pointers and delete old arrays</span></div>
<div class="line"><a name="l00384"></a><span class="lineno"> 384</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[i]=nmem;</div>
<div class="line"><a name="l00385"></a><span class="lineno"> 385</span>&#160; <span class="keyword">delete</span> [] <span class="keywordtype">id</span>[i];<span class="keywordtype">id</span>[i]=idp;</div>
<div class="line"><a name="l00386"></a><span class="lineno"> 386</span>&#160; <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[i];<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[i]=pp;</div>
<div class="line"><a name="l00387"></a><span class="lineno"> 387</span>&#160;}</div>
<div class="line"><a name="l00388"></a><span class="lineno"> 388</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00389"></a><span class="lineno"> 389</span>&#160;<span class="comment">/** Import a list of particles from an open file stream into the container.</span></div>
<div class="line"><a name="l00390"></a><span class="lineno"> 390</span>&#160;<span class="comment"> * Entries of four numbers (Particle ID, x position, y position, z position)</span></div>
<div class="line"><a name="l00391"></a><span class="lineno"> 391</span>&#160;<span class="comment"> * are searched for. If the file cannot be successfully read, then the routine</span></div>
<div class="line"><a name="l00392"></a><span class="lineno"> 392</span>&#160;<span class="comment"> * causes a fatal error.</span></div>
<div class="line"><a name="l00393"></a><span class="lineno"> 393</span>&#160;<span class="comment"> * \param[in] fp the file handle to read from. */</span></div>
<div class="line"><a name="l00394"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#ad5073f573187aa00569d3562cdfa4f49"> 394</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#ad5073f573187aa00569d3562cdfa4f49">container_periodic::import</a>(FILE *fp) {</div>
<div class="line"><a name="l00395"></a><span class="lineno"> 395</span>&#160; <span class="keywordtype">int</span> i,j;</div>
<div class="line"><a name="l00396"></a><span class="lineno"> 396</span>&#160; <span class="keywordtype">double</span> x,y,z;</div>
<div class="line"><a name="l00397"></a><span class="lineno"> 397</span>&#160; <span class="keywordflow">while</span>((j=fscanf(fp,<span class="stringliteral">&quot;%d %lg %lg %lg&quot;</span>,&amp;i,&amp;x,&amp;y,&amp;z))==4) <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">put</a>(i,x,y,z);</div>
<div class="line"><a name="l00398"></a><span class="lineno"> 398</span>&#160; <span class="keywordflow">if</span>(j!=EOF) voro_fatal_error(<span class="stringliteral">&quot;File import error&quot;</span>,<a class="code" href="config_8hh.html#a8de7f106cac2556a67bcc61bd364ed38">VOROPP_FILE_ERROR</a>);</div>
<div class="line"><a name="l00399"></a><span class="lineno"> 399</span>&#160;}</div>
<div class="line"><a name="l00400"></a><span class="lineno"> 400</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00401"></a><span class="lineno"> 401</span>&#160;<span class="comment">/** Import a list of particles from an open file stream, also storing the order</span></div>
<div class="line"><a name="l00402"></a><span class="lineno"> 402</span>&#160;<span class="comment"> * of that the particles are read. Entries of four numbers (Particle ID, x</span></div>
<div class="line"><a name="l00403"></a><span class="lineno"> 403</span>&#160;<span class="comment"> * position, y position, z position) are searched for. If the file cannot be</span></div>
<div class="line"><a name="l00404"></a><span class="lineno"> 404</span>&#160;<span class="comment"> * successfully read, then the routine causes a fatal error.</span></div>
<div class="line"><a name="l00405"></a><span class="lineno"> 405</span>&#160;<span class="comment"> * \param[in,out] vo a reference to an ordering class to use.</span></div>
<div class="line"><a name="l00406"></a><span class="lineno"> 406</span>&#160;<span class="comment"> * \param[in] fp the file handle to read from. */</span></div>
<div class="line"><a name="l00407"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a9ad39c3dcd9311183c671a78a5263c2c"> 407</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#ad5073f573187aa00569d3562cdfa4f49">container_periodic::import</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,FILE *fp) {</div>
<div class="line"><a name="l00408"></a><span class="lineno"> 408</span>&#160; <span class="keywordtype">int</span> i,j;</div>
<div class="line"><a name="l00409"></a><span class="lineno"> 409</span>&#160; <span class="keywordtype">double</span> x,y,z;</div>
<div class="line"><a name="l00410"></a><span class="lineno"> 410</span>&#160; <span class="keywordflow">while</span>((j=fscanf(fp,<span class="stringliteral">&quot;%d %lg %lg %lg&quot;</span>,&amp;i,&amp;x,&amp;y,&amp;z))==4) <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">put</a>(vo,i,x,y,z);</div>
<div class="line"><a name="l00411"></a><span class="lineno"> 411</span>&#160; <span class="keywordflow">if</span>(j!=EOF) voro_fatal_error(<span class="stringliteral">&quot;File import error&quot;</span>,<a class="code" href="config_8hh.html#a8de7f106cac2556a67bcc61bd364ed38">VOROPP_FILE_ERROR</a>);</div>
<div class="line"><a name="l00412"></a><span class="lineno"> 412</span>&#160;}</div>
<div class="line"><a name="l00413"></a><span class="lineno"> 413</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00414"></a><span class="lineno"> 414</span>&#160;<span class="comment">/** Import a list of particles from an open file stream into the container.</span></div>
<div class="line"><a name="l00415"></a><span class="lineno"> 415</span>&#160;<span class="comment"> * Entries of five numbers (Particle ID, x position, y position, z position,</span></div>
<div class="line"><a name="l00416"></a><span class="lineno"> 416</span>&#160;<span class="comment"> * radius) are searched for. If the file cannot be successfully read, then the</span></div>
<div class="line"><a name="l00417"></a><span class="lineno"> 417</span>&#160;<span class="comment"> * routine causes a fatal error.</span></div>
<div class="line"><a name="l00418"></a><span class="lineno"> 418</span>&#160;<span class="comment"> * \param[in] fp the file handle to read from. */</span></div>
<div class="line"><a name="l00419"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#afbd03ab4c06af15913d2641be39513c9"> 419</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#afbd03ab4c06af15913d2641be39513c9">container_periodic_poly::import</a>(FILE *fp) {</div>
<div class="line"><a name="l00420"></a><span class="lineno"> 420</span>&#160; <span class="keywordtype">int</span> i,j;</div>
<div class="line"><a name="l00421"></a><span class="lineno"> 421</span>&#160; <span class="keywordtype">double</span> x,y,z,r;</div>
<div class="line"><a name="l00422"></a><span class="lineno"> 422</span>&#160; <span class="keywordflow">while</span>((j=fscanf(fp,<span class="stringliteral">&quot;%d %lg %lg %lg %lg&quot;</span>,&amp;i,&amp;x,&amp;y,&amp;z,&amp;r))==5) <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">put</a>(i,x,y,z,r);</div>
<div class="line"><a name="l00423"></a><span class="lineno"> 423</span>&#160; <span class="keywordflow">if</span>(j!=EOF) voro_fatal_error(<span class="stringliteral">&quot;File import error&quot;</span>,<a class="code" href="config_8hh.html#a8de7f106cac2556a67bcc61bd364ed38">VOROPP_FILE_ERROR</a>);</div>
<div class="line"><a name="l00424"></a><span class="lineno"> 424</span>&#160;}</div>
<div class="line"><a name="l00425"></a><span class="lineno"> 425</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00426"></a><span class="lineno"> 426</span>&#160;<span class="comment">/** Import a list of particles from an open file stream, also storing the order</span></div>
<div class="line"><a name="l00427"></a><span class="lineno"> 427</span>&#160;<span class="comment"> * of that the particles are read. Entries of four numbers (Particle ID, x</span></div>
<div class="line"><a name="l00428"></a><span class="lineno"> 428</span>&#160;<span class="comment"> * position, y position, z position, radius) are searched for. If the file</span></div>
<div class="line"><a name="l00429"></a><span class="lineno"> 429</span>&#160;<span class="comment"> * cannot be successfully read, then the 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,out] vo a reference to an ordering class to use.</span></div>
<div class="line"><a name="l00431"></a><span class="lineno"> 431</span>&#160;<span class="comment"> * \param[in] fp the file handle to read from. */</span></div>
<div class="line"><a name="l00432"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#adaee2751c053589ba3eb1e5419e7d405"> 432</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#afbd03ab4c06af15913d2641be39513c9">container_periodic_poly::import</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,FILE *fp) {</div>
<div class="line"><a name="l00433"></a><span class="lineno"> 433</span>&#160; <span class="keywordtype">int</span> i,j;</div>
<div class="line"><a name="l00434"></a><span class="lineno"> 434</span>&#160; <span class="keywordtype">double</span> x,y,z,r;</div>
<div class="line"><a name="l00435"></a><span class="lineno"> 435</span>&#160; <span class="keywordflow">while</span>((j=fscanf(fp,<span class="stringliteral">&quot;%d %lg %lg %lg %lg&quot;</span>,&amp;i,&amp;x,&amp;y,&amp;z,&amp;r))==5) <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">put</a>(vo,i,x,y,z,r);</div>
<div class="line"><a name="l00436"></a><span class="lineno"> 436</span>&#160; <span class="keywordflow">if</span>(j!=EOF) voro_fatal_error(<span class="stringliteral">&quot;File import error&quot;</span>,<a class="code" href="config_8hh.html#a8de7f106cac2556a67bcc61bd364ed38">VOROPP_FILE_ERROR</a>);</div>
<div class="line"><a name="l00437"></a><span class="lineno"> 437</span>&#160;}</div>
<div class="line"><a name="l00438"></a><span class="lineno"> 438</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00439"></a><span class="lineno"> 439</span>&#160;<span class="comment">/** Outputs the a list of all the container regions along with the number of</span></div>
<div class="line"><a name="l00440"></a><span class="lineno"> 440</span>&#160;<span class="comment"> * particles stored within each. */</span></div>
<div class="line"><a name="l00441"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a8462c3a3079586196e2bd9a764283173"> 441</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a8462c3a3079586196e2bd9a764283173">container_periodic_base::region_count</a>() {</div>
<div class="line"><a name="l00442"></a><span class="lineno"> 442</span>&#160; <span class="keywordtype">int</span> i,j,k,*cop=<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;</div>
<div class="line"><a name="l00443"></a><span class="lineno"> 443</span>&#160; <span class="keywordflow">for</span>(k=0;k&lt;<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;k++) <span class="keywordflow">for</span>(j=0;j&lt;<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;j++) <span class="keywordflow">for</span>(i=0;i&lt;<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;i++)</div>
<div class="line"><a name="l00444"></a><span class="lineno"> 444</span>&#160; printf(<span class="stringliteral">&quot;Region (%d,%d,%d): %d particles\n&quot;</span>,i,j,k,*(cop++));</div>
<div class="line"><a name="l00445"></a><span class="lineno"> 445</span>&#160;}</div>
<div class="line"><a name="l00446"></a><span class="lineno"> 446</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00447"></a><span class="lineno"> 447</span>&#160;<span class="comment">/** Clears a container of particles. */</span></div>
<div class="line"><a name="l00448"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a5394f52caa441d83c5aba6cf0e254116"> 448</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a5394f52caa441d83c5aba6cf0e254116">container_periodic::clear</a>() {</div>
<div class="line"><a name="l00449"></a><span class="lineno"> 449</span>&#160; <span class="keywordflow">for</span>(<span class="keywordtype">int</span> *cop=<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;cop&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>+<a class="code" href="classvoro_1_1voro__base.html#a4309aca04ab561bd3b3921e9b73016a4">nxyz</a>;cop++) *cop=0;</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="comment"></span></div>
<div class="line"><a name="l00452"></a><span class="lineno"> 452</span>&#160;<span class="comment">/** Clears a container of particles, also clearing resetting the maximum radius</span></div>
<div class="line"><a name="l00453"></a><span class="lineno"> 453</span>&#160;<span class="comment"> * to zero. */</span></div>
<div class="line"><a name="l00454"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a4dd33f8d67680a65864245a90ac883a2"> 454</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a4dd33f8d67680a65864245a90ac883a2">container_periodic_poly::clear</a>() {</div>
<div class="line"><a name="l00455"></a><span class="lineno"> 455</span>&#160; <span class="keywordflow">for</span>(<span class="keywordtype">int</span> *cop=<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;cop&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>+<a class="code" href="classvoro_1_1voro__base.html#a4309aca04ab561bd3b3921e9b73016a4">nxyz</a>;cop++) *cop=0;</div>
<div class="line"><a name="l00456"></a><span class="lineno"> 456</span>&#160; <a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>=0;</div>
<div class="line"><a name="l00457"></a><span class="lineno"> 457</span>&#160;}</div>
<div class="line"><a name="l00458"></a><span class="lineno"> 458</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00459"></a><span class="lineno"> 459</span>&#160;<span class="comment">/** Computes all the Voronoi cells and saves customized information about them.</span></div>
<div class="line"><a name="l00460"></a><span class="lineno"> 460</span>&#160;<span class="comment"> * \param[in] format the custom output string to use.</span></div>
<div class="line"><a name="l00461"></a><span class="lineno"> 461</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00462"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#abdae5633b67aa3cfcc7b04f9381e4fcd"> 462</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">container_periodic::print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,FILE *fp) {</div>
<div class="line"><a name="l00463"></a><span class="lineno"> 463</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="l00464"></a><span class="lineno"> 464</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">print_custom</a>(vl,format,fp);</div>
<div class="line"><a name="l00465"></a><span class="lineno"> 465</span>&#160;}</div>
<div class="line"><a name="l00466"></a><span class="lineno"> 466</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00467"></a><span class="lineno"> 467</span>&#160;<span class="comment">/** Computes all the Voronoi cells and saves customized</span></div>
<div class="line"><a name="l00468"></a><span class="lineno"> 468</span>&#160;<span class="comment"> * information about them.</span></div>
<div class="line"><a name="l00469"></a><span class="lineno"> 469</span>&#160;<span class="comment"> * \param[in] format the custom output string to use.</span></div>
<div class="line"><a name="l00470"></a><span class="lineno"> 470</span>&#160;<span class="comment"> * \param[in] fp a file handle to write to. */</span></div>
<div class="line"><a name="l00471"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#ad4225ecfa4e188a773344ffa1f3127a0"> 471</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">container_periodic_poly::print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,FILE *fp) {</div>
<div class="line"><a name="l00472"></a><span class="lineno"> 472</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="l00473"></a><span class="lineno"> 473</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">print_custom</a>(vl,format,fp);</div>
<div class="line"><a name="l00474"></a><span class="lineno"> 474</span>&#160;}</div>
<div class="line"><a name="l00475"></a><span class="lineno"> 475</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00476"></a><span class="lineno"> 476</span>&#160;<span class="comment">/** Computes all the Voronoi cells and saves customized information about them.</span></div>
<div class="line"><a name="l00477"></a><span class="lineno"> 477</span>&#160;<span class="comment"> * \param[in] format the custom output string to use.</span></div>
<div class="line"><a name="l00478"></a><span class="lineno"> 478</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00479"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#adfe60b3e007ae8405ddca2e063957c3e"> 479</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">container_periodic::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="l00480"></a><span class="lineno"> 480</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00481"></a><span class="lineno"> 481</span>&#160; <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">print_custom</a>(format,fp);</div>
<div class="line"><a name="l00482"></a><span class="lineno"> 482</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00483"></a><span class="lineno"> 483</span>&#160;}</div>
<div class="line"><a name="l00484"></a><span class="lineno"> 484</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00485"></a><span class="lineno"> 485</span>&#160;<span class="comment">/** Computes all the Voronoi cells and saves customized</span></div>
<div class="line"><a name="l00486"></a><span class="lineno"> 486</span>&#160;<span class="comment"> * information about them</span></div>
<div class="line"><a name="l00487"></a><span class="lineno"> 487</span>&#160;<span class="comment"> * \param[in] format the custom output string to use.</span></div>
<div class="line"><a name="l00488"></a><span class="lineno"> 488</span>&#160;<span class="comment"> * \param[in] filename the name of the file to write to. */</span></div>
<div class="line"><a name="l00489"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#a8f5e68c2068f0c73187acc9ad654335c"> 489</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">container_periodic_poly::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="l00490"></a><span class="lineno"> 490</span>&#160; FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);</div>
<div class="line"><a name="l00491"></a><span class="lineno"> 491</span>&#160; <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">print_custom</a>(format,fp);</div>
<div class="line"><a name="l00492"></a><span class="lineno"> 492</span>&#160; fclose(fp);</div>
<div class="line"><a name="l00493"></a><span class="lineno"> 493</span>&#160;}</div>
<div class="line"><a name="l00494"></a><span class="lineno"> 494</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00495"></a><span class="lineno"> 495</span>&#160;<span class="comment">/** Computes all of the Voronoi cells in the container, but does nothing</span></div>
<div class="line"><a name="l00496"></a><span class="lineno"> 496</span>&#160;<span class="comment"> * with the output. It is useful for measuring the pure computation time</span></div>
<div class="line"><a name="l00497"></a><span class="lineno"> 497</span>&#160;<span class="comment"> * of the Voronoi algorithm, without any additional calculations such as</span></div>
<div class="line"><a name="l00498"></a><span class="lineno"> 498</span>&#160;<span class="comment"> * volume evaluation or cell output. */</span></div>
<div class="line"><a name="l00499"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a0b374a8ad39646bf22468e535b08a187"> 499</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a0b374a8ad39646bf22468e535b08a187">container_periodic::compute_all_cells</a>() {</div>
<div class="line"><a name="l00500"></a><span class="lineno"> 500</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="l00501"></a><span class="lineno"> 501</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="l00502"></a><span class="lineno"> 502</span>&#160; <span class="keywordflow">if</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ab7b002f40adfe7116d3db77d6bb95f4c">start</a>()) <span class="keywordflow">do</span> <a class="code" href="classvoro_1_1container__periodic.html#af5cc004a3be4a1eecb037fe9f4b9e2ff">compute_cell</a>(c,vl);</div>
<div class="line"><a name="l00503"></a><span class="lineno"> 503</span>&#160; <span class="keywordflow">while</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ac25d006faa31cee1d1b6bbc621532651">inc</a>());</div>
<div class="line"><a name="l00504"></a><span class="lineno"> 504</span>&#160;}</div>
<div class="line"><a name="l00505"></a><span class="lineno"> 505</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00506"></a><span class="lineno"> 506</span>&#160;<span class="comment">/** Computes all of the Voronoi cells in the container, but does nothing</span></div>
<div class="line"><a name="l00507"></a><span class="lineno"> 507</span>&#160;<span class="comment"> * with the output. It is useful for measuring the pure computation time</span></div>
<div class="line"><a name="l00508"></a><span class="lineno"> 508</span>&#160;<span class="comment"> * of the Voronoi algorithm, without any additional calculations such as</span></div>
<div class="line"><a name="l00509"></a><span class="lineno"> 509</span>&#160;<span class="comment"> * volume evaluation or cell output. */</span></div>
<div class="line"><a name="l00510"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#ab19ca1d361472a1c7dc35023fd20297c"> 510</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#ab19ca1d361472a1c7dc35023fd20297c">container_periodic_poly::compute_all_cells</a>() {</div>
<div class="line"><a name="l00511"></a><span class="lineno"> 511</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="l00512"></a><span class="lineno"> 512</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="l00513"></a><span class="lineno"> 513</span>&#160; <span class="keywordflow">if</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ab7b002f40adfe7116d3db77d6bb95f4c">start</a>()) <span class="keywordflow">do</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a399d6b409b62005a0da290a89c4fdadb">compute_cell</a>(c,vl);<span class="keywordflow">while</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ac25d006faa31cee1d1b6bbc621532651">inc</a>());</div>
<div class="line"><a name="l00514"></a><span class="lineno"> 514</span>&#160;}</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">/** Calculates all of the Voronoi cells and sums their volumes. In most cases</span></div>
<div class="line"><a name="l00517"></a><span class="lineno"> 517</span>&#160;<span class="comment"> * without walls, the sum of the Voronoi cell volumes should equal the volume</span></div>
<div class="line"><a name="l00518"></a><span class="lineno"> 518</span>&#160;<span class="comment"> * of the container to numerical precision.</span></div>
<div class="line"><a name="l00519"></a><span class="lineno"> 519</span>&#160;<span class="comment"> * \return The sum of all of the computed Voronoi volumes. */</span></div>
<div class="line"><a name="l00520"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic.html#a0f60071a597dec1065a5ab122cf72415"> 520</a></span>&#160;<span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__periodic.html#a0f60071a597dec1065a5ab122cf72415">container_periodic::sum_cell_volumes</a>() {</div>
<div class="line"><a name="l00521"></a><span class="lineno"> 521</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="l00522"></a><span class="lineno"> 522</span>&#160; <span class="keywordtype">double</span> vol=0;</div>
<div class="line"><a name="l00523"></a><span class="lineno"> 523</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="l00524"></a><span class="lineno"> 524</span>&#160; <span class="keywordflow">if</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ab7b002f40adfe7116d3db77d6bb95f4c">start</a>()) <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)) vol+=c.<a class="code" href="classvoro_1_1voronoicell__base.html#a92f69986a6f78e7b8b6d9f5778ed99ba">volume</a>();<span class="keywordflow">while</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ac25d006faa31cee1d1b6bbc621532651">inc</a>());</div>
<div class="line"><a name="l00525"></a><span class="lineno"> 525</span>&#160; <span class="keywordflow">return</span> vol;</div>
<div class="line"><a name="l00526"></a><span class="lineno"> 526</span>&#160;}</div>
<div class="line"><a name="l00527"></a><span class="lineno"> 527</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00528"></a><span class="lineno"> 528</span>&#160;<span class="comment">/** Calculates all of the Voronoi cells and sums their volumes. In most cases</span></div>
<div class="line"><a name="l00529"></a><span class="lineno"> 529</span>&#160;<span class="comment"> * without walls, the sum of the Voronoi cell volumes should equal the volume</span></div>
<div class="line"><a name="l00530"></a><span class="lineno"> 530</span>&#160;<span class="comment"> * of the container to numerical precision.</span></div>
<div class="line"><a name="l00531"></a><span class="lineno"> 531</span>&#160;<span class="comment"> * \return The sum of all of the computed Voronoi volumes. */</span></div>
<div class="line"><a name="l00532"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__poly.html#ac3a665f34e5aee05a6d36abb5289f796"> 532</a></span>&#160;<span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#ac3a665f34e5aee05a6d36abb5289f796">container_periodic_poly::sum_cell_volumes</a>() {</div>
<div class="line"><a name="l00533"></a><span class="lineno"> 533</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="l00534"></a><span class="lineno"> 534</span>&#160; <span class="keywordtype">double</span> vol=0;</div>
<div class="line"><a name="l00535"></a><span class="lineno"> 535</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="l00536"></a><span class="lineno"> 536</span>&#160; <span class="keywordflow">if</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ab7b002f40adfe7116d3db77d6bb95f4c">start</a>()) <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)) vol+=c.<a class="code" href="classvoro_1_1voronoicell__base.html#a92f69986a6f78e7b8b6d9f5778ed99ba">volume</a>();<span class="keywordflow">while</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ac25d006faa31cee1d1b6bbc621532651">inc</a>());</div>
<div class="line"><a name="l00537"></a><span class="lineno"> 537</span>&#160; <span class="keywordflow">return</span> vol;</div>
<div class="line"><a name="l00538"></a><span class="lineno"> 538</span>&#160;}</div>
<div class="line"><a name="l00539"></a><span class="lineno"> 539</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00540"></a><span class="lineno"> 540</span>&#160;<span class="comment">/** This routine creates all periodic images of the particles. It is meant for</span></div>
<div class="line"><a name="l00541"></a><span class="lineno"> 541</span>&#160;<span class="comment"> * diagnostic purposes only, since usually periodic images are dynamically</span></div>
<div class="line"><a name="l00542"></a><span class="lineno"> 542</span>&#160;<span class="comment"> * created in when they are referenced. */</span></div>
<div class="line"><a name="l00543"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a9e622a40386d97fcb015ff4ed792ff44"> 543</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a9e622a40386d97fcb015ff4ed792ff44">container_periodic_base::create_all_images</a>() {</div>
<div class="line"><a name="l00544"></a><span class="lineno"> 544</span>&#160; <span class="keywordtype">int</span> i,j,k;</div>
<div class="line"><a name="l00545"></a><span class="lineno"> 545</span>&#160; <span class="keywordflow">for</span>(k=0;k&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#ab1f18c51495f684dfc4d3372f9b311da">oz</a>;k++) <span class="keywordflow">for</span>(j=0;j&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>;j++) <span class="keywordflow">for</span>(i=0;i&lt;<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;i++) <a class="code" href="classvoro_1_1container__periodic__base.html#a11b7428673e4791fe651036ecda0cd12">create_periodic_image</a>(i,j,k);</div>
<div class="line"><a name="l00546"></a><span class="lineno"> 546</span>&#160;}</div>
<div class="line"><a name="l00547"></a><span class="lineno"> 547</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00548"></a><span class="lineno"> 548</span>&#160;<span class="comment">/** Checks that the particles within each block lie within that block&#39;s bounds.</span></div>
<div class="line"><a name="l00549"></a><span class="lineno"> 549</span>&#160;<span class="comment"> * This is useful for diagnosing problems with periodic image computation. */</span></div>
<div class="line"><a name="l00550"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a133f1be4a780183fd6bd7c008c65482d"> 550</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a133f1be4a780183fd6bd7c008c65482d">container_periodic_base::check_compartmentalized</a>() {</div>
<div class="line"><a name="l00551"></a><span class="lineno"> 551</span>&#160; <span class="keywordtype">int</span> c,l,i,j,k;</div>
<div class="line"><a name="l00552"></a><span class="lineno"> 552</span>&#160; <span class="keywordtype">double</span> mix,miy,miz,max,may,maz,*pp;</div>
<div class="line"><a name="l00553"></a><span class="lineno"> 553</span>&#160; <span class="keywordflow">for</span>(k=l=0;k&lt;oz;k++) for(j=0;j&lt;oy;j++) for(i=0;i&lt;nx;i++,l++) if(mem[l]&gt;0) {</div>
<div class="line"><a name="l00554"></a><span class="lineno"> 554</span>&#160;</div>
<div class="line"><a name="l00555"></a><span class="lineno"> 555</span>&#160; <span class="comment">// Compute the block&#39;s bounds, adding in a small tolerance</span></div>
<div class="line"><a name="l00556"></a><span class="lineno"> 556</span>&#160; mix=i*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>-tolerance;max=mix+<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>+tolerance;</div>
<div class="line"><a name="l00557"></a><span class="lineno"> 557</span>&#160; miy=(j-<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>)*<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>-tolerance;may=miy+<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>+tolerance;</div>
<div class="line"><a name="l00558"></a><span class="lineno"> 558</span>&#160; miz=(k-<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>)*<a class="code" href="classvoro_1_1voro__base.html#afd53f018c9641c8b8066e9429c88a4e0">boxz</a>-tolerance;maz=miz+<a class="code" href="classvoro_1_1voro__base.html#afd53f018c9641c8b8066e9429c88a4e0">boxz</a>+tolerance;</div>
<div class="line"><a name="l00559"></a><span class="lineno"> 559</span>&#160;</div>
<div class="line"><a name="l00560"></a><span class="lineno"> 560</span>&#160; <span class="comment">// Print entries for any particles that lie outside the block&#39;s</span></div>
<div class="line"><a name="l00561"></a><span class="lineno"> 561</span>&#160; <span class="comment">// bounds</span></div>
<div class="line"><a name="l00562"></a><span class="lineno"> 562</span>&#160; <span class="keywordflow">for</span>(pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[l],c=0;c&lt;co[l];c++,pp+=ps) if(*pp&lt;mix||*pp&gt;max||pp[1]&lt;miy||pp[1]&gt;may||pp[2]&lt;miz||pp[2]&gt;maz)</div>
<div class="line"><a name="l00563"></a><span class="lineno"> 563</span>&#160; printf(<span class="stringliteral">&quot;%d %d %d %d %f %f %f %f %f %f %f %f %f\n&quot;</span>,</div>
<div class="line"><a name="l00564"></a><span class="lineno"> 564</span>&#160; <span class="keywordtype">id</span>[l][c],i,j,k,*pp,pp[1],pp[2],mix,max,miy,may,miz,maz);</div>
<div class="line"><a name="l00565"></a><span class="lineno"> 565</span>&#160; }</div>
<div class="line"><a name="l00566"></a><span class="lineno"> 566</span>&#160;}</div>
<div class="line"><a name="l00567"></a><span class="lineno"> 567</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00568"></a><span class="lineno"> 568</span>&#160;<span class="comment">/** Creates particles within an image block that is aligned with the primary</span></div>
<div class="line"><a name="l00569"></a><span class="lineno"> 569</span>&#160;<span class="comment"> * domain in the z axis. In this case, the image block may be comprised of</span></div>
<div class="line"><a name="l00570"></a><span class="lineno"> 570</span>&#160;<span class="comment"> * particles from two primary blocks. The routine considers these two primary</span></div>
<div class="line"><a name="l00571"></a><span class="lineno"> 571</span>&#160;<span class="comment"> * blocks, and adds the needed particles to the image. The remaining particles</span></div>
<div class="line"><a name="l00572"></a><span class="lineno"> 572</span>&#160;<span class="comment"> * from the primary blocks are also filled into the neighboring images.</span></div>
<div class="line"><a name="l00573"></a><span class="lineno"> 573</span>&#160;<span class="comment"> * \param[in] (di,dj,dk) the index of the block to consider. The z index must</span></div>
<div class="line"><a name="l00574"></a><span class="lineno"> 574</span>&#160;<span class="comment"> * satisfy ez&lt;=dk&lt;wz. */</span></div>
<div class="line"><a name="l00575"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#aa16ea029bbf80a1fdec3e6bba675e704"> 575</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#aa16ea029bbf80a1fdec3e6bba675e704">container_periodic_base::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="l00576"></a><span class="lineno"> 576</span>&#160; <span class="keywordtype">int</span> l,dijk=di+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(dj+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*dk),odijk,ima=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(dj-<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>,<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>);</div>
<div class="line"><a name="l00577"></a><span class="lineno"> 577</span>&#160; <span class="keywordtype">int</span> qua=di+<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(-ima*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>*<a class="code" href="classvoro_1_1voro__base.html#ad708515772990e5b2fa4e93c330f7aa0">xsp</a>),quadiv=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(qua,nx);</div>
<div class="line"><a name="l00578"></a><span class="lineno"> 578</span>&#160; <span class="keywordtype">int</span> fi=qua-quadiv*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>,fijk=fi+nx*(dj-ima*<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*dk);</div>
<div class="line"><a name="l00579"></a><span class="lineno"> 579</span>&#160; <span class="keywordtype">double</span> dis=ima*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>+quadiv*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>,switchx=di*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>-ima*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>-quadiv*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>,adis;</div>
<div class="line"><a name="l00580"></a><span class="lineno"> 580</span>&#160;</div>
<div class="line"><a name="l00581"></a><span class="lineno"> 581</span>&#160; <span class="comment">// Left image computation</span></div>
<div class="line"><a name="l00582"></a><span class="lineno"> 582</span>&#160; <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;1)==0) {</div>
<div class="line"><a name="l00583"></a><span class="lineno"> 583</span>&#160; <span class="keywordflow">if</span>(di&gt;0) {</div>
<div class="line"><a name="l00584"></a><span class="lineno"> 584</span>&#160; odijk=dijk-1;adis=dis;</div>
<div class="line"><a name="l00585"></a><span class="lineno"> 585</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00586"></a><span class="lineno"> 586</span>&#160; odijk=dijk+nx-1;adis=dis+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;</div>
<div class="line"><a name="l00587"></a><span class="lineno"> 587</span>&#160; }</div>
<div class="line"><a name="l00588"></a><span class="lineno"> 588</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[odijk]|=2;</div>
<div class="line"><a name="l00589"></a><span class="lineno"> 589</span>&#160; <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk];l++) {</div>
<div class="line"><a name="l00590"></a><span class="lineno"> 590</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk,l,dis,<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>*ima,0);</div>
<div class="line"><a name="l00591"></a><span class="lineno"> 591</span>&#160; <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(odijk,fijk,l,adis,<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>*ima,0);</div>
<div class="line"><a name="l00592"></a><span class="lineno"> 592</span>&#160; }</div>
<div class="line"><a name="l00593"></a><span class="lineno"> 593</span>&#160; }</div>
<div class="line"><a name="l00594"></a><span class="lineno"> 594</span>&#160;</div>
<div class="line"><a name="l00595"></a><span class="lineno"> 595</span>&#160; <span class="comment">// Right image computation</span></div>
<div class="line"><a name="l00596"></a><span class="lineno"> 596</span>&#160; <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;2)==0) {</div>
<div class="line"><a name="l00597"></a><span class="lineno"> 597</span>&#160; <span class="keywordflow">if</span>(fi==nx-1) {</div>
<div class="line"><a name="l00598"></a><span class="lineno"> 598</span>&#160; fijk+=1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;switchx+=(1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>)*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;dis+=<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;</div>
<div class="line"><a name="l00599"></a><span class="lineno"> 599</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00600"></a><span class="lineno"> 600</span>&#160; fijk++;switchx+=<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;</div>
<div class="line"><a name="l00601"></a><span class="lineno"> 601</span>&#160; }</div>
<div class="line"><a name="l00602"></a><span class="lineno"> 602</span>&#160; <span class="keywordflow">if</span>(di==nx-1) {</div>
<div class="line"><a name="l00603"></a><span class="lineno"> 603</span>&#160; odijk=dijk-nx+1;adis=dis-<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;</div>
<div class="line"><a name="l00604"></a><span class="lineno"> 604</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00605"></a><span class="lineno"> 605</span>&#160; odijk=dijk+1;adis=dis;</div>
<div class="line"><a name="l00606"></a><span class="lineno"> 606</span>&#160; }</div>
<div class="line"><a name="l00607"></a><span class="lineno"> 607</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[odijk]|=1;</div>
<div class="line"><a name="l00608"></a><span class="lineno"> 608</span>&#160; <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk];l++) {</div>
<div class="line"><a name="l00609"></a><span class="lineno"> 609</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&lt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk,l,dis,<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>*ima,0);</div>
<div class="line"><a name="l00610"></a><span class="lineno"> 610</span>&#160; <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(odijk,fijk,l,adis,<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>*ima,0);</div>
<div class="line"><a name="l00611"></a><span class="lineno"> 611</span>&#160; }</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; <span class="comment">// All contributions to the block now added, so set both two bits of</span></div>
<div class="line"><a name="l00615"></a><span class="lineno"> 615</span>&#160; <span class="comment">// the image information</span></div>
<div class="line"><a name="l00616"></a><span class="lineno"> 616</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]=3;</div>
<div class="line"><a name="l00617"></a><span class="lineno"> 617</span>&#160;}</div>
<div class="line"><a name="l00618"></a><span class="lineno"> 618</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00619"></a><span class="lineno"> 619</span>&#160;<span class="comment">/** Creates particles within an image block that is not aligned with the</span></div>
<div class="line"><a name="l00620"></a><span class="lineno"> 620</span>&#160;<span class="comment"> * primary domain in the z axis. In this case, the image block may be comprised</span></div>
<div class="line"><a name="l00621"></a><span class="lineno"> 621</span>&#160;<span class="comment"> * of particles from four primary blocks. The routine considers these four</span></div>
<div class="line"><a name="l00622"></a><span class="lineno"> 622</span>&#160;<span class="comment"> * primary blocks, and adds the needed particles to the image. The remaining</span></div>
<div class="line"><a name="l00623"></a><span class="lineno"> 623</span>&#160;<span class="comment"> * particles from the primary blocks are also filled into the neighboring</span></div>
<div class="line"><a name="l00624"></a><span class="lineno"> 624</span>&#160;<span class="comment"> * images.</span></div>
<div class="line"><a name="l00625"></a><span class="lineno"> 625</span>&#160;<span class="comment"> * \param[in] (di,dj,dk) the index of the block to consider. The z index must</span></div>
<div class="line"><a name="l00626"></a><span class="lineno"> 626</span>&#160;<span class="comment"> * satisfy dk&lt;ez or dk&gt;=wz. */</span></div>
<div class="line"><a name="l00627"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a8d3545b219d91aee864b224829b6a644"> 627</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a8d3545b219d91aee864b224829b6a644">container_periodic_base::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="l00628"></a><span class="lineno"> 628</span>&#160; <span class="keywordtype">int</span> l,dijk=di+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(dj+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*dk),dijkl,dijkr,ima=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(dk-<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>,<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>);</div>
<div class="line"><a name="l00629"></a><span class="lineno"> 629</span>&#160; <span class="keywordtype">int</span> qj=dj+<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(-ima*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>*<a class="code" href="classvoro_1_1voro__base.html#a300808cb0ccab85eb61dd0b25a5076de">ysp</a>),qjdiv=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(qj-<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>,<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>);</div>
<div class="line"><a name="l00630"></a><span class="lineno"> 630</span>&#160; <span class="keywordtype">int</span> qi=di+<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>((-ima*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>-qjdiv*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>)*<a class="code" href="classvoro_1_1voro__base.html#ad708515772990e5b2fa4e93c330f7aa0">xsp</a>),qidiv=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(qi,nx);</div>
<div class="line"><a name="l00631"></a><span class="lineno"> 631</span>&#160; <span class="keywordtype">int</span> fi=qi-qidiv*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>,fj=qj-qjdiv*<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>,fijk=fi+nx*(fj+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*(dk-ima*<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>)),fijk2;</div>
<div class="line"><a name="l00632"></a><span class="lineno"> 632</span>&#160; <span class="keywordtype">double</span> disy=ima*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>+qjdiv*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>,switchy=(dj-<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>)*<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>-ima*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>-qjdiv*by;</div>
<div class="line"><a name="l00633"></a><span class="lineno"> 633</span>&#160; <span class="keywordtype">double</span> disx=ima*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>+qjdiv*bxy+qidiv*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>,switchx=di*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>-ima*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>-qjdiv*bxy-qidiv*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;</div>
<div class="line"><a name="l00634"></a><span class="lineno"> 634</span>&#160; <span class="keywordtype">double</span> switchx2,disxl,disxr,disx2,disxr2;</div>
<div class="line"><a name="l00635"></a><span class="lineno"> 635</span>&#160;</div>
<div class="line"><a name="l00636"></a><span class="lineno"> 636</span>&#160; <span class="keywordflow">if</span>(di==0) {dijkl=dijk+nx-1;disxl=disx+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;}</div>
<div class="line"><a name="l00637"></a><span class="lineno"> 637</span>&#160; <span class="keywordflow">else</span> {dijkl=dijk-1;disxl=disx;}</div>
<div class="line"><a name="l00638"></a><span class="lineno"> 638</span>&#160;</div>
<div class="line"><a name="l00639"></a><span class="lineno"> 639</span>&#160; <span class="keywordflow">if</span>(di==nx-1) {dijkr=dijk-nx+1;disxr=disx-<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;}</div>
<div class="line"><a name="l00640"></a><span class="lineno"> 640</span>&#160; <span class="keywordflow">else</span> {dijkr=dijk+1;disxr=disx;}</div>
<div class="line"><a name="l00641"></a><span class="lineno"> 641</span>&#160;</div>
<div class="line"><a name="l00642"></a><span class="lineno"> 642</span>&#160; <span class="comment">// Down-left image computation</span></div>
<div class="line"><a name="l00643"></a><span class="lineno"> 643</span>&#160; <span class="keywordtype">bool</span> y_exist=dj!=0;</div>
<div class="line"><a name="l00644"></a><span class="lineno"> 644</span>&#160; <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;1)==0) {</div>
<div class="line"><a name="l00645"></a><span class="lineno"> 645</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkl]|=2;</div>
<div class="line"><a name="l00646"></a><span class="lineno"> 646</span>&#160; <span class="keywordflow">if</span>(y_exist) {</div>
<div class="line"><a name="l00647"></a><span class="lineno"> 647</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkl-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=8;</div>
<div class="line"><a name="l00648"></a><span class="lineno"> 648</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=4;</div>
<div class="line"><a name="l00649"></a><span class="lineno"> 649</span>&#160; }</div>
<div class="line"><a name="l00650"></a><span class="lineno"> 650</span>&#160; <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk];l++) {</div>
<div class="line"><a name="l00651"></a><span class="lineno"> 651</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l+1]&gt;switchy) {</div>
<div class="line"><a name="l00652"></a><span class="lineno"> 652</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk,l,disx,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00653"></a><span class="lineno"> 653</span>&#160; <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkl,fijk,l,disxl,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00654"></a><span class="lineno"> 654</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00655"></a><span class="lineno"> 655</span>&#160; <span class="keywordflow">if</span>(!y_exist) <span class="keywordflow">continue</span>;</div>
<div class="line"><a name="l00656"></a><span class="lineno"> 656</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk-nx,fijk,l,disx,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00657"></a><span class="lineno"> 657</span>&#160; <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkl-nx,fijk,l,disxl,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00658"></a><span class="lineno"> 658</span>&#160; }</div>
<div class="line"><a name="l00659"></a><span class="lineno"> 659</span>&#160; }</div>
<div class="line"><a name="l00660"></a><span class="lineno"> 660</span>&#160; }</div>
<div class="line"><a name="l00661"></a><span class="lineno"> 661</span>&#160;</div>
<div class="line"><a name="l00662"></a><span class="lineno"> 662</span>&#160; <span class="comment">// Down-right image computation</span></div>
<div class="line"><a name="l00663"></a><span class="lineno"> 663</span>&#160; <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;2)==0) {</div>
<div class="line"><a name="l00664"></a><span class="lineno"> 664</span>&#160; <span class="keywordflow">if</span>(fi==nx-1) {</div>
<div class="line"><a name="l00665"></a><span class="lineno"> 665</span>&#160; fijk2=fijk+1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;switchx2=switchx+(1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>)*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;disx2=disx+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;disxr2=disxr+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;</div>
<div class="line"><a name="l00666"></a><span class="lineno"> 666</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00667"></a><span class="lineno"> 667</span>&#160; fijk2=fijk+1;switchx2=switchx+<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;disx2=disx;disxr2=disxr;</div>
<div class="line"><a name="l00668"></a><span class="lineno"> 668</span>&#160; }</div>
<div class="line"><a name="l00669"></a><span class="lineno"> 669</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkr]|=1;</div>
<div class="line"><a name="l00670"></a><span class="lineno"> 670</span>&#160; <span class="keywordflow">if</span>(y_exist) {</div>
<div class="line"><a name="l00671"></a><span class="lineno"> 671</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkr-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=4;</div>
<div class="line"><a name="l00672"></a><span class="lineno"> 672</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=8;</div>
<div class="line"><a name="l00673"></a><span class="lineno"> 673</span>&#160; }</div>
<div class="line"><a name="l00674"></a><span class="lineno"> 674</span>&#160; <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk2];l++) {</div>
<div class="line"><a name="l00675"></a><span class="lineno"> 675</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l+1]&gt;switchy) {</div>
<div class="line"><a name="l00676"></a><span class="lineno"> 676</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx2) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkr,fijk2,l,disxr2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00677"></a><span class="lineno"> 677</span>&#160; <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk2,l,disx2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00678"></a><span class="lineno"> 678</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00679"></a><span class="lineno"> 679</span>&#160; <span class="keywordflow">if</span>(!y_exist) <span class="keywordflow">continue</span>;</div>
<div class="line"><a name="l00680"></a><span class="lineno"> 680</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx2) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkr-nx,fijk2,l,disxr2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00681"></a><span class="lineno"> 681</span>&#160; <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk-nx,fijk2,l,disx2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00682"></a><span class="lineno"> 682</span>&#160; }</div>
<div class="line"><a name="l00683"></a><span class="lineno"> 683</span>&#160; }</div>
<div class="line"><a name="l00684"></a><span class="lineno"> 684</span>&#160; }</div>
<div class="line"><a name="l00685"></a><span class="lineno"> 685</span>&#160;</div>
<div class="line"><a name="l00686"></a><span class="lineno"> 686</span>&#160; <span class="comment">// Recomputation of some intermediate quantities for boundary cases</span></div>
<div class="line"><a name="l00687"></a><span class="lineno"> 687</span>&#160; <span class="keywordflow">if</span>(fj==<a class="code" href="classvoro_1_1container__periodic__base.html#a012ffc20dd6379bcbd26ddc0c5cc8591">wy</a>-1) {</div>
<div class="line"><a name="l00688"></a><span class="lineno"> 688</span>&#160; fijk+=nx*(1-<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>)-fi;</div>
<div class="line"><a name="l00689"></a><span class="lineno"> 689</span>&#160; switchy+=(1-<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>)*<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>;</div>
<div class="line"><a name="l00690"></a><span class="lineno"> 690</span>&#160; disy+=<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;</div>
<div class="line"><a name="l00691"></a><span class="lineno"> 691</span>&#160; qi=di+<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(-(ima*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>+(qjdiv+1)*bxy)*xsp);</div>
<div class="line"><a name="l00692"></a><span class="lineno"> 692</span>&#160; <span class="keywordtype">int</span> dqidiv=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(qi,nx)-qidiv;qidiv+=dqidiv;</div>
<div class="line"><a name="l00693"></a><span class="lineno"> 693</span>&#160; fi=qi-qidiv*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;</div>
<div class="line"><a name="l00694"></a><span class="lineno"> 694</span>&#160; fijk+=fi;</div>
<div class="line"><a name="l00695"></a><span class="lineno"> 695</span>&#160; disx+=bxy+bx*dqidiv;</div>
<div class="line"><a name="l00696"></a><span class="lineno"> 696</span>&#160; disxl+=bxy+bx*dqidiv;</div>
<div class="line"><a name="l00697"></a><span class="lineno"> 697</span>&#160; disxr+=bxy+bx*dqidiv;</div>
<div class="line"><a name="l00698"></a><span class="lineno"> 698</span>&#160; switchx-=bxy+bx*dqidiv;</div>
<div class="line"><a name="l00699"></a><span class="lineno"> 699</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00700"></a><span class="lineno"> 700</span>&#160; fijk+=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;switchy+=<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>;</div>
<div class="line"><a name="l00701"></a><span class="lineno"> 701</span>&#160; }</div>
<div class="line"><a name="l00702"></a><span class="lineno"> 702</span>&#160;</div>
<div class="line"><a name="l00703"></a><span class="lineno"> 703</span>&#160; <span class="comment">// Up-left image computation</span></div>
<div class="line"><a name="l00704"></a><span class="lineno"> 704</span>&#160; y_exist=dj!=<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>-1;</div>
<div class="line"><a name="l00705"></a><span class="lineno"> 705</span>&#160; <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;4)==0) {</div>
<div class="line"><a name="l00706"></a><span class="lineno"> 706</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkl]|=8;</div>
<div class="line"><a name="l00707"></a><span class="lineno"> 707</span>&#160; <span class="keywordflow">if</span>(y_exist) {</div>
<div class="line"><a name="l00708"></a><span class="lineno"> 708</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkl+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=2;</div>
<div class="line"><a name="l00709"></a><span class="lineno"> 709</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=1;</div>
<div class="line"><a name="l00710"></a><span class="lineno"> 710</span>&#160; }</div>
<div class="line"><a name="l00711"></a><span class="lineno"> 711</span>&#160; <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk];l++) {</div>
<div class="line"><a name="l00712"></a><span class="lineno"> 712</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l+1]&gt;switchy) {</div>
<div class="line"><a name="l00713"></a><span class="lineno"> 713</span>&#160; <span class="keywordflow">if</span>(!y_exist) <span class="keywordflow">continue</span>;</div>
<div class="line"><a name="l00714"></a><span class="lineno"> 714</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk+nx,fijk,l,disx,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00715"></a><span class="lineno"> 715</span>&#160; <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkl+nx,fijk,l,disxl,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00716"></a><span class="lineno"> 716</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00717"></a><span class="lineno"> 717</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk,l,disx,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00718"></a><span class="lineno"> 718</span>&#160; <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkl,fijk,l,disxl,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00719"></a><span class="lineno"> 719</span>&#160; }</div>
<div class="line"><a name="l00720"></a><span class="lineno"> 720</span>&#160; }</div>
<div class="line"><a name="l00721"></a><span class="lineno"> 721</span>&#160; }</div>
<div class="line"><a name="l00722"></a><span class="lineno"> 722</span>&#160;</div>
<div class="line"><a name="l00723"></a><span class="lineno"> 723</span>&#160; <span class="comment">// Up-right image computation</span></div>
<div class="line"><a name="l00724"></a><span class="lineno"> 724</span>&#160; <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;8)==0) {</div>
<div class="line"><a name="l00725"></a><span class="lineno"> 725</span>&#160; <span class="keywordflow">if</span>(fi==nx-1) {</div>
<div class="line"><a name="l00726"></a><span class="lineno"> 726</span>&#160; fijk2=fijk+1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;switchx2=switchx+(1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>)*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;disx2=disx+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;disxr2=disxr+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;</div>
<div class="line"><a name="l00727"></a><span class="lineno"> 727</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00728"></a><span class="lineno"> 728</span>&#160; fijk2=fijk+1;switchx2=switchx+<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;disx2=disx;disxr2=disxr;</div>
<div class="line"><a name="l00729"></a><span class="lineno"> 729</span>&#160; }</div>
<div class="line"><a name="l00730"></a><span class="lineno"> 730</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkr]|=4;</div>
<div class="line"><a name="l00731"></a><span class="lineno"> 731</span>&#160; <span class="keywordflow">if</span>(y_exist) {</div>
<div class="line"><a name="l00732"></a><span class="lineno"> 732</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkr+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=1;</div>
<div class="line"><a name="l00733"></a><span class="lineno"> 733</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=2;</div>
<div class="line"><a name="l00734"></a><span class="lineno"> 734</span>&#160; }</div>
<div class="line"><a name="l00735"></a><span class="lineno"> 735</span>&#160; <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk2];l++) {</div>
<div class="line"><a name="l00736"></a><span class="lineno"> 736</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l+1]&gt;switchy) {</div>
<div class="line"><a name="l00737"></a><span class="lineno"> 737</span>&#160; <span class="keywordflow">if</span>(!y_exist) <span class="keywordflow">continue</span>;</div>
<div class="line"><a name="l00738"></a><span class="lineno"> 738</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx2) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkr+nx,fijk2,l,disxr2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00739"></a><span class="lineno"> 739</span>&#160; <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk+nx,fijk2,l,disx2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00740"></a><span class="lineno"> 740</span>&#160; } <span class="keywordflow">else</span> {</div>
<div class="line"><a name="l00741"></a><span class="lineno"> 741</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx2) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkr,fijk2,l,disxr2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00742"></a><span class="lineno"> 742</span>&#160; <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk2,l,disx2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);</div>
<div class="line"><a name="l00743"></a><span class="lineno"> 743</span>&#160; }</div>
<div class="line"><a name="l00744"></a><span class="lineno"> 744</span>&#160; }</div>
<div class="line"><a name="l00745"></a><span class="lineno"> 745</span>&#160; }</div>
<div class="line"><a name="l00746"></a><span class="lineno"> 746</span>&#160;</div>
<div class="line"><a name="l00747"></a><span class="lineno"> 747</span>&#160; <span class="comment">// All contributions to the block now added, so set all four bits of</span></div>
<div class="line"><a name="l00748"></a><span class="lineno"> 748</span>&#160; <span class="comment">// the image information</span></div>
<div class="line"><a name="l00749"></a><span class="lineno"> 749</span>&#160; <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]=15;</div>
<div class="line"><a name="l00750"></a><span class="lineno"> 750</span>&#160;}</div>
<div class="line"><a name="l00751"></a><span class="lineno"> 751</span>&#160;<span class="comment"></span></div>
<div class="line"><a name="l00752"></a><span class="lineno"> 752</span>&#160;<span class="comment">/** Copies a particle position from the primary domain into an image block.</span></div>
<div class="line"><a name="l00753"></a><span class="lineno"> 753</span>&#160;<span class="comment"> * \param[in] reg the block index within the primary domain that the particle</span></div>
<div class="line"><a name="l00754"></a><span class="lineno"> 754</span>&#160;<span class="comment"> * is within.</span></div>
<div class="line"><a name="l00755"></a><span class="lineno"> 755</span>&#160;<span class="comment"> * \param[in] fijk the index of the image block.</span></div>
<div class="line"><a name="l00756"></a><span class="lineno"> 756</span>&#160;<span class="comment"> * \param[in] l the index of the particle entry within the primary block.</span></div>
<div class="line"><a name="l00757"></a><span class="lineno"> 757</span>&#160;<span class="comment"> * \param[in] (dx,dy,dz) the displacement vector to add to the particle. */</span></div>
<div class="line"><a name="l00758"></a><span class="lineno"><a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353"> 758</a></span>&#160;<span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">container_periodic_base::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="l00759"></a><span class="lineno"> 759</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[reg]==<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[reg]) <a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a">add_particle_memory</a>(reg);</div>
<div class="line"><a name="l00760"></a><span class="lineno"> 760</span>&#160; <span class="keywordtype">double</span> *p1=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[reg]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[reg],*p2=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l;</div>
<div class="line"><a name="l00761"></a><span class="lineno"> 761</span>&#160; *(p1++)=*(p2++)+dx;</div>
<div class="line"><a name="l00762"></a><span class="lineno"> 762</span>&#160; *(p1++)=*(p2++)+dy;</div>
<div class="line"><a name="l00763"></a><span class="lineno"> 763</span>&#160; *p1=*p2+dz;</div>
<div class="line"><a name="l00764"></a><span class="lineno"> 764</span>&#160; <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>==4) *(++p1)=*(++p2);</div>
<div class="line"><a name="l00765"></a><span class="lineno"> 765</span>&#160; <span class="keywordtype">id</span>[reg][co[reg]++]=<span class="keywordtype">id</span>[fijk][l];</div>
<div class="line"><a name="l00766"></a><span class="lineno"> 766</span>&#160;}</div>
<div class="line"><a name="l00767"></a><span class="lineno"> 767</span>&#160;</div>
<div class="line"><a name="l00768"></a><span class="lineno"> 768</span>&#160;}</div>
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