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			<a href="v__base_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> <span class="comment">// Voro++, a 3D cell-based Voronoi library</span></div>
			<div class="line"><a name="l00002"></a><span class="lineno"> 2</span> <span class="comment">//</span></div>
			<div class="line"><a name="l00003"></a><span class="lineno"> 3</span> <span class="comment">// Author : Chris H. Rycroft (LBL / UC Berkeley)</span></div>
			<div class="line"><a name="l00004"></a><span class="lineno"> 4</span> <span class="comment">// Email : chr@alum.mit.edu</span></div>
			<div class="line"><a name="l00005"></a><span class="lineno"> 5</span> <span class="comment">// Date : August 30th 2011</span></div>
			<div class="line"><a name="l00006"></a><span class="lineno"> 6</span> <span class="comment"></span></div>
			<div class="line"><a name="l00007"></a><span class="lineno"> 7</span> <span class="comment">/** \file v_base.cc</span></div>
			<div class="line"><a name="l00008"></a><span class="lineno"> 8</span> <span class="comment"> * \brief Function implementations for the base Voronoi container class. */</span></div>
			<div class="line"><a name="l00009"></a><span class="lineno"> 9</span> </div>
			<div class="line"><a name="l00010"></a><span class="lineno"> 10</span> <span class="preprocessor">#include "<a class="code" href="v__base_8hh.html" title="Header file for the base Voronoi container class.">v_base.hh</a>"</span></div>
			<div class="line"><a name="l00011"></a><span class="lineno"> 11</span> <span class="preprocessor">#include "<a class="code" href="config_8hh.html" title="Master configuration file for setting various compile-time options.">config.hh</a>"</span></div>
			<div class="line"><a name="l00012"></a><span class="lineno"> 12</span> </div>
			<div class="line"><a name="l00013"></a><span class="lineno"> 13</span> <span class="keyword">namespace </span>voro {</div>
			<div class="line"><a name="l00014"></a><span class="lineno"> 14</span> <span class="comment"></span></div>
			<div class="line"><a name="l00015"></a><span class="lineno"> 15</span> <span class="comment">/** This function is called during container construction. The routine scans</span></div>
			<div class="line"><a name="l00016"></a><span class="lineno"> 16</span> <span class="comment"> * all of the worklists in the wl[] array. For a given worklist of blocks</span></div>
			<div class="line"><a name="l00017"></a><span class="lineno"> 17</span> <span class="comment"> * labeled \f$w_1\f$ to \f$w_n\f$, it computes a sequence \f$r_0\f$ to</span></div>
			<div class="line"><a name="l00018"></a><span class="lineno"> 18</span> <span class="comment"> * \f$r_n\f$ so that $r_i$ is the minimum distance to all the blocks</span></div>
			<div class="line"><a name="l00019"></a><span class="lineno"> 19</span> <span class="comment"> * \f$w_{j}\f$ where \f$j>i\f$ and all blocks outside the worklist. The values</span></div>
			<div class="line"><a name="l00020"></a><span class="lineno"> 20</span> <span class="comment"> * of \f$r_n\f$ is calculated first, as the minimum distance to any block in</span></div>
			<div class="line"><a name="l00021"></a><span class="lineno"> 21</span> <span class="comment"> * the shell surrounding the worklist. The \f$r_i\f$ are then computed in</span></div>
			<div class="line"><a name="l00022"></a><span class="lineno"> 22</span> <span class="comment"> * reverse order by considering the distance to \f$w_{i+1}\f$. */</span></div>
			<div class="line"><a name="l00023"></a><span class="lineno"><a class="code" href="classvoro_1_1voro__base.html#a74f367e3bcffcd95c800ce9be85c29dc"> 23</a></span> <a class="code" href="classvoro_1_1voro__base.html#a74f367e3bcffcd95c800ce9be85c29dc">voro_base::voro_base</a>(<span class="keywordtype">int</span> nx_,<span class="keywordtype">int</span> ny_,<span class="keywordtype">int</span> nz_,<span class="keywordtype">double</span> boxx_,<span class="keywordtype">double</span> boxy_,<span class="keywordtype">double</span> boxz_) :</div>
			<div class="line"><a name="l00024"></a><span class="lineno"> 24</span>  nx(nx_), ny(ny_), nz(nz_), nxy(nx_ny_), nxyz(nxynz_), boxx(boxx_), boxy(boxy_), boxz(boxz_),</div>
			<div class="line"><a name="l00025"></a><span class="lineno"> 25</span>  xsp(1/boxx_), ysp(1/boxy_), zsp(1/boxz_), mrad(new double[wl_hgridcu*wl_seq_length]) {</div>
			<div class="line"><a name="l00026"></a><span class="lineno"> 26</span>  <span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> b1=1<<21,b2=1<<22,b3=1<<24,b4=1<<25,b5=1<<27,b6=1<<28;</div>
			<div class="line"><a name="l00027"></a><span class="lineno"> 27</span>  <span class="keyword">const</span> <span class="keywordtype">double</span> xstep=<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>/wl_fgrid,ystep=<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>/wl_fgrid,zstep=<a class="code" href="classvoro_1_1voro__base.html#afd53f018c9641c8b8066e9429c88a4e0">boxz</a>/wl_fgrid;</div>
			<div class="line"><a name="l00028"></a><span class="lineno"> 28</span>  <span class="keywordtype">int</span> i,j,k,lx,ly,lz,q;</div>
			<div class="line"><a name="l00029"></a><span class="lineno"> 29</span>  <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> f,e=<span class="keyword">const_cast<</span><span class="keywordtype">unsigned</span> <span class="keywordtype">int</span><span class="keyword">></span> (<a class="code" href="classvoro_1_1voro__base.html#abc825bfa4bdb4b85d50058f016457445">wl</a>);</div>
			<div class="line"><a name="l00030"></a><span class="lineno"> 30</span>  <span class="keywordtype">double</span> xlo,ylo,zlo,xhi,yhi,zhi,minr,*radp=<a class="code" href="classvoro_1_1voro__base.html#ab59b5feedb35ea611b05d65df1216775">mrad</a>;</div>
			<div class="line"><a name="l00031"></a><span class="lineno"> 31</span>  <span class="keywordflow">for</span>(zlo=0,zhi=zstep,lz=0;lz<wl_hgrid;zlo=zhi,zhi+=zstep,lz++) {</div>
			<div class="line"><a name="l00032"></a><span class="lineno"> 32</span>  <span class="keywordflow">for</span>(ylo=0,yhi=ystep,ly=0;ly<wl_hgrid;ylo=yhi,yhi+=ystep,ly++) {</div>
			<div class="line"><a name="l00033"></a><span class="lineno"> 33</span>  <span class="keywordflow">for</span>(xlo=0,xhi=xstep,lx=0;lx<wl_hgrid;xlo=xhi,xhi+=xstep,lx++) {</div>
			<div class="line"><a name="l00034"></a><span class="lineno"> 34</span>  minr=large_number;</div>
			<div class="line"><a name="l00035"></a><span class="lineno"> 35</span>  <span class="keywordflow">for</span>(q=e[0]+1;q<wl_seq_length;q++) {</div>
			<div class="line"><a name="l00036"></a><span class="lineno"> 36</span>  f=e[q];</div>
			<div class="line"><a name="l00037"></a><span class="lineno"> 37</span>  i=(f&127)-64;</div>
			<div class="line"><a name="l00038"></a><span class="lineno"> 38</span>  j=(f>>7&127)-64;</div>
			<div class="line"><a name="l00039"></a><span class="lineno"> 39</span>  k=(f>>14&127)-64;</div>
			<div class="line"><a name="l00040"></a><span class="lineno"> 40</span>  <span class="keywordflow">if</span>((f&b2)==b2) {</div>
			<div class="line"><a name="l00041"></a><span class="lineno"> 41</span>  compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i-1,j,k);</div>
			<div class="line"><a name="l00042"></a><span class="lineno"> 42</span>  <span class="keywordflow">if</span>((f&b1)==0) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i+1,j,k);</div>
			<div class="line"><a name="l00043"></a><span class="lineno"> 43</span>  } <span class="keywordflow">else</span> <span class="keywordflow">if</span>((f&b1)==b1) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i+1,j,k);</div>
			<div class="line"><a name="l00044"></a><span class="lineno"> 44</span>  <span class="keywordflow">if</span>((f&b4)==b4) {</div>
			<div class="line"><a name="l00045"></a><span class="lineno"> 45</span>  compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j-1,k);</div>
			<div class="line"><a name="l00046"></a><span class="lineno"> 46</span>  <span class="keywordflow">if</span>((f&b3)==0) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j+1,k);</div>
			<div class="line"><a name="l00047"></a><span class="lineno"> 47</span>  } <span class="keywordflow">else</span> <span class="keywordflow">if</span>((f&b3)==b3) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j+1,k);</div>
			<div class="line"><a name="l00048"></a><span class="lineno"> 48</span>  <span class="keywordflow">if</span>((f&b6)==b6) {</div>
			<div class="line"><a name="l00049"></a><span class="lineno"> 49</span>  compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j,k-1);</div>
			<div class="line"><a name="l00050"></a><span class="lineno"> 50</span>  <span class="keywordflow">if</span>((f&b5)==0) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j,k+1);</div>
			<div class="line"><a name="l00051"></a><span class="lineno"> 51</span>  } <span class="keywordflow">else</span> <span class="keywordflow">if</span>((f&b5)==b5) compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j,k+1);</div>
			<div class="line"><a name="l00052"></a><span class="lineno"> 52</span>  }</div>
			<div class="line"><a name="l00053"></a><span class="lineno"> 53</span>  q--;</div>
			<div class="line"><a name="l00054"></a><span class="lineno"> 54</span>  <span class="keywordflow">while</span>(q>0) {</div>
			<div class="line"><a name="l00055"></a><span class="lineno"> 55</span>  radp[q]=minr;</div>
			<div class="line"><a name="l00056"></a><span class="lineno"> 56</span>  f=e[q];</div>
			<div class="line"><a name="l00057"></a><span class="lineno"> 57</span>  i=(f&127)-64;</div>
			<div class="line"><a name="l00058"></a><span class="lineno"> 58</span>  j=(f>>7&127)-64;</div>
			<div class="line"><a name="l00059"></a><span class="lineno"> 59</span>  k=(f>>14&127)-64;</div>
			<div class="line"><a name="l00060"></a><span class="lineno"> 60</span>  compute_minimum(minr,xlo,xhi,ylo,yhi,zlo,zhi,i,j,k);</div>
			<div class="line"><a name="l00061"></a><span class="lineno"> 61</span>  q--;</div>
			<div class="line"><a name="l00062"></a><span class="lineno"> 62</span>  }</div>
			<div class="line"><a name="l00063"></a><span class="lineno"> 63</span>  *radp=minr;</div>
			<div class="line"><a name="l00064"></a><span class="lineno"> 64</span>  e+=wl_seq_length;</div>
			<div class="line"><a name="l00065"></a><span class="lineno"> 65</span>  radp+=wl_seq_length;</div>
			<div class="line"><a name="l00066"></a><span class="lineno"> 66</span>  }</div>
			<div class="line"><a name="l00067"></a><span class="lineno"> 67</span>  }</div>
			<div class="line"><a name="l00068"></a><span class="lineno"> 68</span>  }</div>
			<div class="line"><a name="l00069"></a><span class="lineno"> 69</span> }</div>
			<div class="line"><a name="l00070"></a><span class="lineno"> 70</span> <span class="comment"></span></div>
			<div class="line"><a name="l00071"></a><span class="lineno"> 71</span> <span class="comment">/** Computes the minimum distance from a subregion to a given block. If this distance</span></div>
			<div class="line"><a name="l00072"></a><span class="lineno"> 72</span> <span class="comment"> * is smaller than the value of minr, then it passes</span></div>
			<div class="line"><a name="l00073"></a><span class="lineno"> 73</span> <span class="comment"> * \param[in,out] minr a pointer to the current minimum distance. If the distance</span></div>
			<div class="line"><a name="l00074"></a><span class="lineno"> 74</span> <span class="comment"> * computed in this function is smaller, then this distance is</span></div>
			<div class="line"><a name="l00075"></a><span class="lineno"> 75</span> <span class="comment"> * set to the new one.</span></div>
			<div class="line"><a name="l00076"></a><span class="lineno"> 76</span> <span class="comment"> * \param[out] (xlo,ylo,zlo) the lower coordinates of the subregion being</span></div>
			<div class="line"><a name="l00077"></a><span class="lineno"> 77</span> <span class="comment"> * considered.</span></div>
			<div class="line"><a name="l00078"></a><span class="lineno"> 78</span> <span class="comment"> * \param[out] (xhi,yhi,zhi) the upper coordinates of the subregion being</span></div>
			<div class="line"><a name="l00079"></a><span class="lineno"> 79</span> <span class="comment"> * considered.</span></div>
			<div class="line"><a name="l00080"></a><span class="lineno"> 80</span> <span class="comment"> * \param[in] (ti,tj,tk) the coordinates of the block. */</span></div>
			<div class="line"><a name="l00081"></a><span class="lineno"> 81</span> <span class="keywordtype">void</span> voro_base::compute_minimum(<span class="keywordtype">double</span> &minr,<span class="keywordtype">double</span> &xlo,<span class="keywordtype">double</span> &xhi,<span class="keywordtype">double</span> &ylo,<span class="keywordtype">double</span> &yhi,<span class="keywordtype">double</span> &zlo,<span class="keywordtype">double</span> &zhi,<span class="keywordtype">int</span> ti,<span class="keywordtype">int</span> tj,<span class="keywordtype">int</span> tk) {</div>
			<div class="line"><a name="l00082"></a><span class="lineno"> 82</span>  <span class="keywordtype">double</span> radsq,temp;</div>
			<div class="line"><a name="l00083"></a><span class="lineno"> 83</span>  <span class="keywordflow">if</span>(ti>0) {temp=<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>ti-xhi;radsq=temptemp;}</div>
			<div class="line"><a name="l00084"></a><span class="lineno"> 84</span>  <span class="keywordflow">else</span> <span class="keywordflow">if</span>(ti<0) {temp=xlo-<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>(1+ti);radsq=temptemp;}</div>
			<div class="line"><a name="l00085"></a><span class="lineno"> 85</span>  <span class="keywordflow">else</span> radsq=0;</div>
			<div class="line"><a name="l00086"></a><span class="lineno"> 86</span> </div>
			<div class="line"><a name="l00087"></a><span class="lineno"> 87</span>  <span class="keywordflow">if</span>(tj>0) {temp=<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>tj-yhi;radsq+=temptemp;}</div>
			<div class="line"><a name="l00088"></a><span class="lineno"> 88</span>  <span class="keywordflow">else</span> <span class="keywordflow">if</span>(tj<0) {temp=ylo-<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>(1+tj);radsq+=temptemp;}</div>
			<div class="line"><a name="l00089"></a><span class="lineno"> 89</span> </div>
			<div class="line"><a name="l00090"></a><span class="lineno"> 90</span>  <span class="keywordflow">if</span>(tk>0) {temp=<a class="code" href="classvoro_1_1voro__base.html#afd53f018c9641c8b8066e9429c88a4e0">boxz</a>tk-zhi;radsq+=temptemp;}</div>
			<div class="line"><a name="l00091"></a><span class="lineno"> 91</span>  <span class="keywordflow">else</span> <span class="keywordflow">if</span>(tk<0) {temp=zlo-<a class="code" href="classvoro_1_1voro__base.html#afd53f018c9641c8b8066e9429c88a4e0">boxz</a>(1+tk);radsq+=temptemp;}</div>
			<div class="line"><a name="l00092"></a><span class="lineno"> 92</span> </div>
			<div class="line"><a name="l00093"></a><span class="lineno"> 93</span>  <span class="keywordflow">if</span>(radsq<minr) minr=radsq;</div>
			<div class="line"><a name="l00094"></a><span class="lineno"> 94</span> }</div>
			<div class="line"><a name="l00095"></a><span class="lineno"> 95</span> <span class="comment"></span></div>
			<div class="line"><a name="l00096"></a><span class="lineno"> 96</span> <span class="comment">/** Checks to see whether "%n" appears in a format sequence to determine</span></div>
			<div class="line"><a name="l00097"></a><span class="lineno"> 97</span> <span class="comment"> * whether neighbor information is required or not.</span></div>
			<div class="line"><a name="l00098"></a><span class="lineno"> 98</span> <span class="comment"> * \param[in] format the format string to check.</span></div>
			<div class="line"><a name="l00099"></a><span class="lineno"> 99</span> <span class="comment"> * \return True if a "%n" is found, false otherwise. */</span></div>
			<div class="line"><a name="l00100"></a><span class="lineno"><a class="code" href="classvoro_1_1voro__base.html#a95d9ee6c1610afccf265198ae63b5e88"> 100</a></span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1voro__base.html#a95d9ee6c1610afccf265198ae63b5e88">voro_base::contains_neighbor</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format) {</div>
			<div class="line"><a name="l00101"></a><span class="lineno"> 101</span>  <span class="keywordtype">char</span> fmp=(<span class="keyword">const_cast<</span><span class="keywordtype">char</span><span class="keyword">></span>(format));</div>
			<div class="line"><a name="l00102"></a><span class="lineno"> 102</span> </div>
			<div class="line"><a name="l00103"></a><span class="lineno"> 103</span>  <span class="comment">// Check to see if "%n" appears in the format sequence</span></div>
			<div class="line"><a name="l00104"></a><span class="lineno"> 104</span>  <span class="keywordflow">while</span>(*fmp!=0) {</div>
			<div class="line"><a name="l00105"></a><span class="lineno"> 105</span>  <span class="keywordflow">if</span>(*fmp==<span class="charliteral">'%'</span>) {</div>
			<div class="line"><a name="l00106"></a><span class="lineno"> 106</span>  fmp++;</div>
			<div class="line"><a name="l00107"></a><span class="lineno"> 107</span>  <span class="keywordflow">if</span>(*fmp==<span class="charliteral">'n'</span>) <span class="keywordflow">return</span> <span class="keyword">true</span>;</div>
			<div class="line"><a name="l00108"></a><span class="lineno"> 108</span>  <span class="keywordflow">else</span> <span class="keywordflow">if</span>(*fmp==0) <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
			<div class="line"><a name="l00109"></a><span class="lineno"> 109</span>  }</div>
			<div class="line"><a name="l00110"></a><span class="lineno"> 110</span>  fmp++;</div>
			<div class="line"><a name="l00111"></a><span class="lineno"> 111</span>  }</div>
			<div class="line"><a name="l00112"></a><span class="lineno"> 112</span> </div>
			<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>  <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
			<div class="line"><a name="l00114"></a><span class="lineno"> 114</span> }</div>
			<div class="line"><a name="l00115"></a><span class="lineno"> 115</span> </div>
			<div class="line"><a name="l00116"></a><span class="lineno"> 116</span> <span class="preprocessor">#include "<a class="code" href="v__base__wl_8cc.html" title="The table of block worklists that are used during the cell computation, which is part of the voro_bas...">v_base_wl.cc</a>"</span></div>
			<div class="line"><a name="l00117"></a><span class="lineno"> 117</span> </div>
			<div class="line"><a name="l00118"></a><span class="lineno"> 118</span> }</div>
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