Diffusion lammps (lammm-master-deprecated) Browse

pre__container_8hh_source.html
ec1abcb64185lammm-master-deprecated

pre__container_8hh_source.html
View Options

			<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
			<html xmlns="http://www.w3.org/1999/xhtml">
			<head>
			<meta http-equiv="Content-Type" content="text/xhtml;charset=UTF-8"/>
			<meta http-equiv="X-UA-Compatible" content="IE=9"/>
			<title>Voro++: pre_container.hh Source File</title>
			<link href="tabs.css" rel="stylesheet" type="text/css"/>
			<script type="text/javascript" src="jquery.js"></script>
			<script type="text/javascript" src="dynsections.js"></script>
			<link href="doxygen.css" rel="stylesheet" type="text/css" />
			</head>
			<body>
			<div id="top"><!-- do not remove this div, it is closed by doxygen! -->
			<div id="titlearea">
			<table cellspacing="0" cellpadding="0">
			<tbody>
			<tr style="height: 56px;">
			<td style="padding-left: 0.5em;">
			<div id="projectname">Voro++
			</div>
			</td>
			</tr>
			</tbody>
			</table>
			</div>
			<!-- end header part -->
			<!-- Generated by Doxygen 1.8.1.1 -->
			<div id="navrow1" class="tabs">
			<ul class="tablist">
			<li><a href="index.html"><span>Main Page</span></a></li>
			<li><a href="annotated.html"><span>Data Structures</span></a></li>
			<li class="current"><a href="files.html"><span>Files</span></a></li>
			</ul>
			</div>
			<div id="navrow2" class="tabs2">
			<ul class="tablist">
			<li><a href="files.html"><span>File List</span></a></li>
			<li><a href="globals.html"><span>Globals</span></a></li>
			</ul>
			</div>
			</div><!-- top -->
			<div class="header">
			<div class="headertitle">
			<div class="title">pre_container.hh</div> </div>
			</div><!--header-->
			<div class="contents">
			<a href="pre__container_8hh.html">Go to the documentation of this file.</a><div class="fragment"><div class="line"><a name="l00001"></a><span class="lineno"> 1</span> <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 pre_container.hh</span></div>
			<div class="line"><a name="l00008"></a><span class="lineno"> 8</span> <span class="comment"> * \brief Header file for the pre_container and related classes. */</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">#ifndef VOROPP_PRE_CONTAINER_HH</span></div>
			<div class="line"><a name="l00011"></a><span class="lineno"> 11</span> <span class="preprocessor"></span><span class="preprocessor">#define VOROPP_PRE_CONTAINER_HH</span></div>
			<div class="line"><a name="l00012"></a><span class="lineno"> 12</span> <span class="preprocessor"></span></div>
			<div class="line"><a name="l00013"></a><span class="lineno"> 13</span> <span class="preprocessor">#include <cstdio></span></div>
			<div class="line"><a name="l00014"></a><span class="lineno"> 14</span> </div>
			<div class="line"><a name="l00015"></a><span class="lineno"> 15</span> <span class="preprocessor">#include "<a class="code" href="c__loops_8hh.html" title="Header file for the loop classes.">c_loops.hh</a>"</span></div>
			<div class="line"><a name="l00016"></a><span class="lineno"> 16</span> <span class="preprocessor">#include "<a class="code" href="container_8hh.html" title="Header file for the container_base and related classes.">container.hh</a>"</span></div>
			<div class="line"><a name="l00017"></a><span class="lineno"> 17</span> </div>
			<div class="line"><a name="l00018"></a><span class="lineno"> 18</span> <span class="keyword">namespace </span>voro {</div>
			<div class="line"><a name="l00019"></a><span class="lineno"> 19</span> <span class="comment"></span></div>
			<div class="line"><a name="l00020"></a><span class="lineno"> 20</span> <span class="comment">/** \brief A class for storing an arbitrary number of particles, prior to setting</span></div>
			<div class="line"><a name="l00021"></a><span class="lineno"> 21</span> <span class="comment"> * up a container geometry.</span></div>
			<div class="line"><a name="l00022"></a><span class="lineno"> 22</span> <span class="comment"> *</span></div>
			<div class="line"><a name="l00023"></a><span class="lineno"> 23</span> <span class="comment"> * The pre_container_base class can dynamically import and store an arbitrary</span></div>
			<div class="line"><a name="l00024"></a><span class="lineno"> 24</span> <span class="comment"> * number of particles. Once the particles have been read in, an appropriate</span></div>
			<div class="line"><a name="l00025"></a><span class="lineno"> 25</span> <span class="comment"> * container class can be set up with the optimal grid size, and the particles</span></div>
			<div class="line"><a name="l00026"></a><span class="lineno"> 26</span> <span class="comment"> * can be transferred.</span></div>
			<div class="line"><a name="l00027"></a><span class="lineno"> 27</span> <span class="comment"> *</span></div>
			<div class="line"><a name="l00028"></a><span class="lineno"> 28</span> <span class="comment"> * The pre_container_base class is not intended for direct use, but forms the</span></div>
			<div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="comment"> * base of the pre_container and pre_container_poly classes, that add routines</span></div>
			<div class="line"><a name="l00030"></a><span class="lineno"> 30</span> <span class="comment"> * depending on whether particle radii need to be tracked or not. */</span></div>
			<div class="line"><a name="l00031"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html"> 31</a></span> <span class="keyword">class </span><a class="code" href="classvoro_1_1pre__container__base.html" title="A class for storing an arbitrary number of particles, prior to setting up a container geometry...">pre_container_base</a> {</div>
			<div class="line"><a name="l00032"></a><span class="lineno"> 32</span>  <span class="keyword">public</span>:<span class="comment"></span></div>
			<div class="line"><a name="l00033"></a><span class="lineno"> 33</span> <span class="comment"> /** The minimum x coordinate of the container. */</span></div>
			<div class="line"><a name="l00034"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a7ffde3944d0899b6ae9abe42e6567789"> 34</a></span>  <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1pre__container__base.html#a7ffde3944d0899b6ae9abe42e6567789">ax</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00035"></a><span class="lineno"> 35</span> <span class="comment"> /** The maximum x coordinate of the container. */</span></div>
			<div class="line"><a name="l00036"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a34dfa63f38cf870b32004e12558463a0"> 36</a></span>  <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1pre__container__base.html#a34dfa63f38cf870b32004e12558463a0">bx</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00037"></a><span class="lineno"> 37</span> <span class="comment"> /** The minimum y coordinate of the container. */</span></div>
			<div class="line"><a name="l00038"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a397c0ae141594e1868eb6248a6d57d52"> 38</a></span>  <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1pre__container__base.html#a397c0ae141594e1868eb6248a6d57d52">ay</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00039"></a><span class="lineno"> 39</span> <span class="comment"> /** The maximum y coordinate of the container. */</span></div>
			<div class="line"><a name="l00040"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a6acac844ab71a02ea6a990fccdbd5c59"> 40</a></span>  <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1pre__container__base.html#a6acac844ab71a02ea6a990fccdbd5c59">by</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00041"></a><span class="lineno"> 41</span> <span class="comment"> /** The minimum z coordinate of the container. */</span></div>
			<div class="line"><a name="l00042"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a68952c93198e0623604a049aa4140d52"> 42</a></span>  <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1pre__container__base.html#a68952c93198e0623604a049aa4140d52">az</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00043"></a><span class="lineno"> 43</span> <span class="comment"> /** The maximum z coordinate of the container. */</span></div>
			<div class="line"><a name="l00044"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a9049eaba232b13aa3a9562dffa57bc24"> 44</a></span>  <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1pre__container__base.html#a9049eaba232b13aa3a9562dffa57bc24">bz</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00045"></a><span class="lineno"> 45</span> <span class="comment"> /** A boolean value that determines if the x coordinate in</span></div>
			<div class="line"><a name="l00046"></a><span class="lineno"> 46</span> <span class="comment"> * periodic or not. */</span></div>
			<div class="line"><a name="l00047"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#aa7cffdaee881f941e421d0e9e3f38db3"> 47</a></span>  <span class="keyword">const</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1pre__container__base.html#aa7cffdaee881f941e421d0e9e3f38db3">xperiodic</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00048"></a><span class="lineno"> 48</span> <span class="comment"> /** A boolean value that determines if the y coordinate in</span></div>
			<div class="line"><a name="l00049"></a><span class="lineno"> 49</span> <span class="comment"> * periodic or not. */</span></div>
			<div class="line"><a name="l00050"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#aa86a0e8ac0bafbc2bf2fefbafce005be"> 50</a></span>  <span class="keyword">const</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1pre__container__base.html#aa86a0e8ac0bafbc2bf2fefbafce005be">yperiodic</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00051"></a><span class="lineno"> 51</span> <span class="comment"> /** A boolean value that determines if the z coordinate in</span></div>
			<div class="line"><a name="l00052"></a><span class="lineno"> 52</span> <span class="comment"> * periodic or not. */</span></div>
			<div class="line"><a name="l00053"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a5df09b1ba1e3fe49c3efba11ed44efb2"> 53</a></span>  <span class="keyword">const</span> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1pre__container__base.html#a5df09b1ba1e3fe49c3efba11ed44efb2">zperiodic</a>;</div>
			<div class="line"><a name="l00054"></a><span class="lineno"> 54</span>  <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1pre__container__base.html#a8e1fcadbeedc63f205a36c2fa9333ab6">guess_optimal</a>(<span class="keywordtype">int</span> &nx,<span class="keywordtype">int</span> &ny,<span class="keywordtype">int</span> &nz);</div>
			<div class="line"><a name="l00055"></a><span class="lineno"> 55</span>  <a class="code" href="classvoro_1_1pre__container__base.html#a522bd57b4a0e4af6b197c04d103adc68">pre_container_base</a>(<span class="keywordtype">double</span> ax_,<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> ay_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> az_,<span class="keywordtype">double</span> bz_,<span class="keywordtype">bool</span> xperiodic_,<span class="keywordtype">bool</span> yperiodic_,<span class="keywordtype">bool</span> zperiodic_,<span class="keywordtype">int</span> ps_);</div>
			<div class="line"><a name="l00056"></a><span class="lineno"> 56</span>  <a class="code" href="classvoro_1_1pre__container__base.html#a9832a92c7e6dbc2959ab958ea821ca9a">~pre_container_base</a>();<span class="comment"></span></div>
			<div class="line"><a name="l00057"></a><span class="lineno"> 57</span> <span class="comment"> /** Calculates and returns the total number of particles stored</span></div>
			<div class="line"><a name="l00058"></a><span class="lineno"> 58</span> <span class="comment"> * within the class.</span></div>
			<div class="line"><a name="l00059"></a><span class="lineno"> 59</span> <span class="comment"> * \return The number of particles. */</span></div>
			<div class="line"><a name="l00060"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a253ea1bdfa1b82c3fb0ab12f1685d695"> 60</a></span>  <span class="keyword">inline</span> <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1pre__container__base.html#a253ea1bdfa1b82c3fb0ab12f1685d695">total_particles</a>() {</div>
			<div class="line"><a name="l00061"></a><span class="lineno"> 61</span>  <span class="keywordflow">return</span> (<a class="code" href="classvoro_1_1pre__container__base.html#a687bc9acac994d7918e1e34c27df68e3">end_id</a>-<a class="code" href="classvoro_1_1pre__container__base.html#a927440d3390000b94cce98733d81811c">pre_id</a>)pre_container_chunk_size+(<a class="code" href="classvoro_1_1pre__container__base.html#a432897c62a5d0c1acc39a97ffe27b506">ch_id</a>-<a class="code" href="classvoro_1_1pre__container__base.html#a687bc9acac994d7918e1e34c27df68e3">end_id</a>);</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>  <span class="keyword">protected</span>:<span class="comment"></span></div>
			<div class="line"><a name="l00064"></a><span class="lineno"> 64</span> <span class="comment"> /** The number of doubles associated with a single particle</span></div>
			<div class="line"><a name="l00065"></a><span class="lineno"> 65</span> <span class="comment"> * (three for the standard container, four when radius</span></div>
			<div class="line"><a name="l00066"></a><span class="lineno"> 66</span> <span class="comment"> * information is stored). */</span></div>
			<div class="line"><a name="l00067"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a4a3ff1d6bee289e53f5015327384444a"> 67</a></span>  <span class="keyword">const</span> <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1pre__container__base.html#a4a3ff1d6bee289e53f5015327384444a">ps</a>;</div>
			<div class="line"><a name="l00068"></a><span class="lineno"> 68</span>  <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1pre__container__base.html#a3b9e5b59a4fd8477321d9412feffac4f">new_chunk</a>();</div>
			<div class="line"><a name="l00069"></a><span class="lineno"> 69</span>  <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1pre__container__base.html#abc281e0f5b042046451b1d86ee94880d">extend_chunk_index</a>();<span class="comment"></span></div>
			<div class="line"><a name="l00070"></a><span class="lineno"> 70</span> <span class="comment"> /** The size of the chunk index. */</span></div>
			<div class="line"><a name="l00071"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a9ae49ab1c51dc851e7ddf3035b719a6b"> 71</a></span>  <span class="keywordtype">int</span> <a class="code" href="classvoro_1_1pre__container__base.html#a9ae49ab1c51dc851e7ddf3035b719a6b">index_sz</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00072"></a><span class="lineno"> 72</span> <span class="comment"> /** A pointer to the chunk index to store the integer particle</span></div>
			<div class="line"><a name="l00073"></a><span class="lineno"> 73</span> <span class="comment"> * IDs. */</span></div>
			<div class="line"><a name="l00074"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a927440d3390000b94cce98733d81811c"> 74</a></span>  <span class="keywordtype">int</span> **<a class="code" href="classvoro_1_1pre__container__base.html#a927440d3390000b94cce98733d81811c">pre_id</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00075"></a><span class="lineno"> 75</span> <span class="comment"> /** A pointer to the last allocated integer ID chunk. */</span></div>
			<div class="line"><a name="l00076"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a687bc9acac994d7918e1e34c27df68e3"> 76</a></span>  <span class="keywordtype">int</span> **<a class="code" href="classvoro_1_1pre__container__base.html#a687bc9acac994d7918e1e34c27df68e3">end_id</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00077"></a><span class="lineno"> 77</span> <span class="comment"> /** A pointer to the end of the integer ID chunk index, used to</span></div>
			<div class="line"><a name="l00078"></a><span class="lineno"> 78</span> <span class="comment"> * determine when the chunk index is full. */</span></div>
			<div class="line"><a name="l00079"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a49cb1c584f78ac8fdce353fd2f43b5f6"> 79</a></span>  <span class="keywordtype">int</span> **<a class="code" href="classvoro_1_1pre__container__base.html#a49cb1c584f78ac8fdce353fd2f43b5f6">l_id</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00080"></a><span class="lineno"> 80</span> <span class="comment"> /** A pointer to the next available slot on the current</span></div>
			<div class="line"><a name="l00081"></a><span class="lineno"> 81</span> <span class="comment"> * particle ID chunk. */</span></div>
			<div class="line"><a name="l00082"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a432897c62a5d0c1acc39a97ffe27b506"> 82</a></span>  <span class="keywordtype">int</span> *<a class="code" href="classvoro_1_1pre__container__base.html#a432897c62a5d0c1acc39a97ffe27b506">ch_id</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00083"></a><span class="lineno"> 83</span> <span class="comment"> /** A pointer to the end of the current integer chunk. */</span></div>
			<div class="line"><a name="l00084"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a73bcad154008325e074bea734fc4125b"> 84</a></span>  <span class="keywordtype">int</span> *<a class="code" href="classvoro_1_1pre__container__base.html#a73bcad154008325e074bea734fc4125b">e_id</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00085"></a><span class="lineno"> 85</span> <span class="comment"> /** A pointer to the chunk index to store the floating point</span></div>
			<div class="line"><a name="l00086"></a><span class="lineno"> 86</span> <span class="comment"> * information associated with particles. */</span></div>
			<div class="line"><a name="l00087"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#a8f3fadf0d9d115fec92eedbcb2c5af9c"> 87</a></span>  <span class="keywordtype">double</span> **<a class="code" href="classvoro_1_1pre__container__base.html#a8f3fadf0d9d115fec92eedbcb2c5af9c">pre_p</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00088"></a><span class="lineno"> 88</span> <span class="comment"> /** A pointer to the last allocated chunk of floating point</span></div>
			<div class="line"><a name="l00089"></a><span class="lineno"> 89</span> <span class="comment"> * information. */</span></div>
			<div class="line"><a name="l00090"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#ae4dc10b744019a92efffbcc1ece189e4"> 90</a></span>  <span class="keywordtype">double</span> **<a class="code" href="classvoro_1_1pre__container__base.html#ae4dc10b744019a92efffbcc1ece189e4">end_p</a>;<span class="comment"></span></div>
			<div class="line"><a name="l00091"></a><span class="lineno"> 91</span> <span class="comment"> /** A pointer to the next available slot on the current</span></div>
			<div class="line"><a name="l00092"></a><span class="lineno"> 92</span> <span class="comment"> * floating point chunk. */</span></div>
			<div class="line"><a name="l00093"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__base.html#abe6c99e9fa26d0764014c5f2913ed6c9"> 93</a></span>  <span class="keywordtype">double</span> *<a class="code" href="classvoro_1_1pre__container__base.html#abe6c99e9fa26d0764014c5f2913ed6c9">ch_p</a>;</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">/** \brief A class for storing an arbitrary number of particles without radius</span></div>
			<div class="line"><a name="l00097"></a><span class="lineno"> 97</span> <span class="comment"> * information, prior to setting up a container geometry.</span></div>
			<div class="line"><a name="l00098"></a><span class="lineno"> 98</span> <span class="comment"> *</span></div>
			<div class="line"><a name="l00099"></a><span class="lineno"> 99</span> <span class="comment"> * The pre_container class is an extension of the pre_container_base class for</span></div>
			<div class="line"><a name="l00100"></a><span class="lineno"> 100</span> <span class="comment"> * cases when no particle radius information is available. */</span></div>
			<div class="line"><a name="l00101"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container.html"> 101</a></span> <span class="keyword">class </span><a class="code" href="classvoro_1_1pre__container.html" title="A class for storing an arbitrary number of particles without radius information, prior to setting up ...">pre_container</a> : <span class="keyword">public</span> <a class="code" href="classvoro_1_1pre__container__base.html" title="A class for storing an arbitrary number of particles, prior to setting up a container geometry...">pre_container_base</a> {</div>
			<div class="line"><a name="l00102"></a><span class="lineno"> 102</span>  <span class="keyword">public</span>:<span class="comment"></span></div>
			<div class="line"><a name="l00103"></a><span class="lineno"> 103</span> <span class="comment"> /** The class constructor sets up the geometry of container,</span></div>
			<div class="line"><a name="l00104"></a><span class="lineno"> 104</span> <span class="comment"> * initializing the minimum and maximum coordinates in each</span></div>
			<div class="line"><a name="l00105"></a><span class="lineno"> 105</span> <span class="comment"> * direction.</span></div>
			<div class="line"><a name="l00106"></a><span class="lineno"> 106</span> <span class="comment"> * \param[in] (ax_,bx_) the minimum and maximum x coordinates.</span></div>
			<div class="line"><a name="l00107"></a><span class="lineno"> 107</span> <span class="comment"> * \param[in] (ay_,by_) the minimum and maximum y coordinates.</span></div>
			<div class="line"><a name="l00108"></a><span class="lineno"> 108</span> <span class="comment"> * \param[in] (az_,bz_) the minimum and maximum z coordinates.</span></div>
			<div class="line"><a name="l00109"></a><span class="lineno"> 109</span> <span class="comment"> * \param[in] (xperiodic_,yperiodic_,zperiodic_ ) flags setting whether the</span></div>
			<div class="line"><a name="l00110"></a><span class="lineno"> 110</span> <span class="comment"> * container is periodic in</span></div>
			<div class="line"><a name="l00111"></a><span class="lineno"> 111</span> <span class="comment"> * each coordinate direction. */</span></div>
			<div class="line"><a name="l00112"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container.html#a6b1faf934a8f416c595b6f0be5832bbe"> 112</a></span>  <a class="code" href="classvoro_1_1pre__container.html#a6b1faf934a8f416c595b6f0be5832bbe">pre_container</a>(<span class="keywordtype">double</span> ax_,<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> ay_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> az_,<span class="keywordtype">double</span> bz_,</div>
			<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>  <span class="keywordtype">bool</span> xperiodic_,<span class="keywordtype">bool</span> yperiodic_,<span class="keywordtype">bool</span> zperiodic_)</div>
			<div class="line"><a name="l00114"></a><span class="lineno"> 114</span>  : <a class="code" href="classvoro_1_1pre__container__base.html" title="A class for storing an arbitrary number of particles, prior to setting up a container geometry...">pre_container_base</a>(ax_,bx_,ay_,by_,az_,bz_,xperiodic_,yperiodic_,zperiodic_,3) {};</div>
			<div class="line"><a name="l00115"></a><span class="lineno"> 115</span>  <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1pre__container.html#ac68ce0449cf83ee282325d5302ffa4cd">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="l00116"></a><span class="lineno"> 116</span>  <span class="keywordtype">void</span> <span class="keyword">import</span>(FILE *fp=stdin);<span class="comment"></span></div>
			<div class="line"><a name="l00117"></a><span class="lineno"> 117</span> <span class="comment"> /** Imports particles from a file.</span></div>
			<div class="line"><a name="l00118"></a><span class="lineno"> 118</span> <span class="comment"> * \param[in] filename the name of the file to read from. */</span></div>
			<div class="line"><a name="l00119"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container.html#a84488a4453d94d6fef9afe2578c35adf"> 119</a></span>  <span class="keyword">inline</span> <span class="keywordtype">void</span> <span class="keyword">import</span>(<span class="keyword">const</span> <span class="keywordtype">char</span>* filename) {</div>
			<div class="line"><a name="l00120"></a><span class="lineno"> 120</span>  FILE *fp=safe_fopen(filename,<span class="stringliteral">"r"</span>);</div>
			<div class="line"><a name="l00121"></a><span class="lineno"> 121</span>  <span class="keyword">import</span>(fp);</div>
			<div class="line"><a name="l00122"></a><span class="lineno"> 122</span>  fclose(fp);</div>
			<div class="line"><a name="l00123"></a><span class="lineno"> 123</span>  }</div>
			<div class="line"><a name="l00124"></a><span class="lineno"> 124</span>  <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1pre__container.html#a7a2e73ad34fbfe1001f59ea3b69f992f">setup</a>(<a class="code" href="classvoro_1_1container.html" title="Extension of the container_base class for computing regular Voronoi tessellations.">container</a> &con);</div>
			<div class="line"><a name="l00125"></a><span class="lineno"> 125</span>  <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1pre__container.html#a7a2e73ad34fbfe1001f59ea3b69f992f">setup</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> &vo,<a class="code" href="classvoro_1_1container.html" title="Extension of the container_base class for computing regular Voronoi tessellations.">container</a> &con);</div>
			<div class="line"><a name="l00126"></a><span class="lineno"> 126</span> };</div>
			<div class="line"><a name="l00127"></a><span class="lineno"> 127</span> <span class="comment"></span></div>
			<div class="line"><a name="l00128"></a><span class="lineno"> 128</span> <span class="comment">/** \brief A class for storing an arbitrary number of particles with radius</span></div>
			<div class="line"><a name="l00129"></a><span class="lineno"> 129</span> <span class="comment"> * information, prior to setting up a container geometry.</span></div>
			<div class="line"><a name="l00130"></a><span class="lineno"> 130</span> <span class="comment"> *</span></div>
			<div class="line"><a name="l00131"></a><span class="lineno"> 131</span> <span class="comment"> * The pre_container_poly class is an extension of the pre_container_base class</span></div>
			<div class="line"><a name="l00132"></a><span class="lineno"> 132</span> <span class="comment"> * for cases when particle radius information is available. */</span></div>
			<div class="line"><a name="l00133"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__poly.html"> 133</a></span> <span class="keyword">class </span><a class="code" href="classvoro_1_1pre__container__poly.html" title="A class for storing an arbitrary number of particles with radius information, prior to setting up a c...">pre_container_poly</a> : <span class="keyword">public</span> <a class="code" href="classvoro_1_1pre__container__base.html" title="A class for storing an arbitrary number of particles, prior to setting up a container geometry...">pre_container_base</a> {</div>
			<div class="line"><a name="l00134"></a><span class="lineno"> 134</span>  <span class="keyword">public</span>:<span class="comment"></span></div>
			<div class="line"><a name="l00135"></a><span class="lineno"> 135</span> <span class="comment"> /** The class constructor sets up the geometry of container,</span></div>
			<div class="line"><a name="l00136"></a><span class="lineno"> 136</span> <span class="comment"> * initializing the minimum and maximum coordinates in each</span></div>
			<div class="line"><a name="l00137"></a><span class="lineno"> 137</span> <span class="comment"> * direction.</span></div>
			<div class="line"><a name="l00138"></a><span class="lineno"> 138</span> <span class="comment"> * \param[in] (ax_,bx_) the minimum and maximum x coordinates.</span></div>
			<div class="line"><a name="l00139"></a><span class="lineno"> 139</span> <span class="comment"> * \param[in] (ay_,by_) the minimum and maximum y coordinates.</span></div>
			<div class="line"><a name="l00140"></a><span class="lineno"> 140</span> <span class="comment"> * \param[in] (az_,bz_) the minimum and maximum z coordinates.</span></div>
			<div class="line"><a name="l00141"></a><span class="lineno"> 141</span> <span class="comment"> * \param[in] (xperiodic_,yperiodic_,zperiodic_ ) flags setting whether the</span></div>
			<div class="line"><a name="l00142"></a><span class="lineno"> 142</span> <span class="comment"> * container is periodic in</span></div>
			<div class="line"><a name="l00143"></a><span class="lineno"> 143</span> <span class="comment"> * each coordinate direction. */</span></div>
			<div class="line"><a name="l00144"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__poly.html#a80a9be51f0cd441544ea5c7a59002e19"> 144</a></span>  <a class="code" href="classvoro_1_1pre__container__poly.html#a80a9be51f0cd441544ea5c7a59002e19">pre_container_poly</a>(<span class="keywordtype">double</span> ax_,<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> ay_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> az_,<span class="keywordtype">double</span> bz_,</div>
			<div class="line"><a name="l00145"></a><span class="lineno"> 145</span>  <span class="keywordtype">bool</span> xperiodic_,<span class="keywordtype">bool</span> yperiodic_,<span class="keywordtype">bool</span> zperiodic_)</div>
			<div class="line"><a name="l00146"></a><span class="lineno"> 146</span>  : <a class="code" href="classvoro_1_1pre__container__base.html" title="A class for storing an arbitrary number of particles, prior to setting up a container geometry...">pre_container_base</a>(ax_,bx_,ay_,by_,az_,bz_,xperiodic_,yperiodic_,zperiodic_,4) {};</div>
			<div class="line"><a name="l00147"></a><span class="lineno"> 147</span>  <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1pre__container__poly.html#abc5d9009deec44c1f5fc88e4da10e89a">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="l00148"></a><span class="lineno"> 148</span>  <span class="keywordtype">void</span> <span class="keyword">import</span>(FILE *fp=stdin);<span class="comment"></span></div>
			<div class="line"><a name="l00149"></a><span class="lineno"> 149</span> <span class="comment"> /** Imports particles from a file.</span></div>
			<div class="line"><a name="l00150"></a><span class="lineno"> 150</span> <span class="comment"> * \param[in] filename the name of the file to read from. */</span></div>
			<div class="line"><a name="l00151"></a><span class="lineno"><a class="code" href="classvoro_1_1pre__container__poly.html#aa78a3577ba7d11c65f5941e22638f015"> 151</a></span>  <span class="keyword">inline</span> <span class="keywordtype">void</span> <span class="keyword">import</span>(<span class="keyword">const</span> <span class="keywordtype">char</span>* filename) {</div>
			<div class="line"><a name="l00152"></a><span class="lineno"> 152</span>  FILE *fp=safe_fopen(filename,<span class="stringliteral">"r"</span>);</div>
			<div class="line"><a name="l00153"></a><span class="lineno"> 153</span>  <span class="keyword">import</span>(fp);</div>
			<div class="line"><a name="l00154"></a><span class="lineno"> 154</span>  fclose(fp);</div>
			<div class="line"><a name="l00155"></a><span class="lineno"> 155</span>  }</div>
			<div class="line"><a name="l00156"></a><span class="lineno"> 156</span>  <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1pre__container__poly.html#ac71c0ee24182a115ce79da4cc91ee356">setup</a>(<a class="code" href="classvoro_1_1container__poly.html" title="Extension of the container_base class for computing radical Voronoi tessellations.">container_poly</a> &con);</div>
			<div class="line"><a name="l00157"></a><span class="lineno"> 157</span>  <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1pre__container__poly.html#ac71c0ee24182a115ce79da4cc91ee356">setup</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> &vo,<a class="code" href="classvoro_1_1container__poly.html" title="Extension of the container_base class for computing radical Voronoi tessellations.">container_poly</a> &con);</div>
			<div class="line"><a name="l00158"></a><span class="lineno"> 158</span> };</div>
			<div class="line"><a name="l00159"></a><span class="lineno"> 159</span> </div>
			<div class="line"><a name="l00160"></a><span class="lineno"> 160</span> }</div>
			<div class="line"><a name="l00161"></a><span class="lineno"> 161</span> </div>
			<div class="line"><a name="l00162"></a><span class="lineno"> 162</span> <span class="preprocessor">#endif</span></div>
			</div><!-- fragment --></div><!-- contents -->
			<!-- start footer part -->
			<hr class="footer"/><address class="footer"><small>
			Generated on Fri Jul 27 2012 21:53:31 for Voro++ by  <a href="http://www.doxygen.org/index.html">
			<img class="footer" src="doxygen.png" alt="doxygen"/>
			</a> 1.8.1.1
			</small></address>
			</body>
			</html>

lammps/lib/voronoi/html/pre__container_8hh_source.htmlec1abcb64185lammm-master-deprecated

pre__container_8hh_source.htmlView Options

lammps/lib/voronoi/html/pre__container_8hh_source.html
ec1abcb64185lammm-master-deprecated

pre__container_8hh_source.html
View Options