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<div class="title">matrix.h</div> </div>
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<a href="matrix_8h.shtml">Go to the documentation of this file.</a><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">/**********************************************************************</span>
<a name="l00002"></a>00002 <span class="comment">matrix.h - Operations on arbitrary-sized matrix.</span>
<a name="l00003"></a>00003 <span class="comment"></span>
<a name="l00004"></a>00004 <span class="comment">Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.</span>
<a name="l00005"></a>00005 <span class="comment">Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison</span>
<a name="l00006"></a>00006 <span class="comment"></span>
<a name="l00007"></a>00007 <span class="comment">This file is part of the Open Babel project.</span>
<a name="l00008"></a>00008 <span class="comment">For more information, see <http://openbabel.org/></span>
<a name="l00009"></a>00009 <span class="comment"></span>
<a name="l00010"></a>00010 <span class="comment">This program is free software; you can redistribute it and/or modify</span>
<a name="l00011"></a>00011 <span class="comment">it under the terms of the GNU General Public License as published by</span>
<a name="l00012"></a>00012 <span class="comment">the Free Software Foundation version 2 of the License.</span>
<a name="l00013"></a>00013 <span class="comment"></span>
<a name="l00014"></a>00014 <span class="comment">This program is distributed in the hope that it will be useful,</span>
<a name="l00015"></a>00015 <span class="comment">but WITHOUT ANY WARRANTY; without even the implied warranty of</span>
<a name="l00016"></a>00016 <span class="comment">MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span>
<a name="l00017"></a>00017 <span class="comment">GNU General Public License for more details.</span>
<a name="l00018"></a>00018 <span class="comment">***********************************************************************/</span>
<a name="l00019"></a>00019
<a name="l00020"></a>00020 <span class="preprocessor">#ifndef OB_MATRIX_H</span>
<a name="l00021"></a>00021 <span class="preprocessor"></span><span class="preprocessor">#define OB_MATRIX_H</span>
<a name="l00022"></a>00022 <span class="preprocessor"></span><span class="preprocessor">#include <openbabel/babelconfig.h></span>
<a name="l00023"></a>00023 <span class="preprocessor">#include <vector></span>
<a name="l00024"></a>00024 <span class="preprocessor">#include <math.h></span>
<a name="l00025"></a>00025
<a name="l00026"></a>00026 <span class="keyword">namespace </span>OpenBabel
<a name="l00027"></a>00027 {
<a name="l00028"></a>00028
<a name="l00029"></a>00029 <span class="comment">/*</span>
<a name="l00030"></a>00030 <span class="comment"> * vector<vector<double> > m : m[row][col] gives appropriate row/col entry</span>
<a name="l00031"></a>00031 <span class="comment"> * double **m : m[row][col] gives appropriate row/col entry</span>
<a name="l00032"></a>00032 <span class="comment"> * double *m : m[(row * numCols) + col] gives appropriate row/col entry</span>
<a name="l00033"></a>00033 <span class="comment"> */</span>
<a name="l00034"></a>00034
<a name="l00035"></a>00035 <span class="keywordtype">void</span> <a class="code" href="namespaceOpenBabel.shtml#ab5741f7ec581130f899f17f4d9477aea">print_matrix</a>(std::vector<std::vector<double> > &m);
<a name="l00036"></a>00036 <span class="keywordtype">void</span> <a class="code" href="namespaceOpenBabel.shtml#ab323a3745c477d9eb4c796786db39075">print_matrix_f</a> (<span class="keywordtype">double</span> *m, <span class="keywordtype">int</span> rows, <span class="keywordtype">int</span> cols);
<a name="l00037"></a>00037 <span class="keywordtype">void</span> <a class="code" href="namespaceOpenBabel.shtml#ac09eff5e59b6a7dd424dc71f4a37e464">print_matrix_ff</a>(<span class="keywordtype">double</span> **m, <span class="keywordtype">int</span> rows, <span class="keywordtype">int</span> cols);
<a name="l00038"></a>00038
<a name="l00039"></a>00039 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#a3b2b9be34ace132aa9506d9ee043824f">mult_matrix</a>(std::vector<std::vector<double> > &c, std::vector<std::vector<double> > &a, std::vector<std::vector<double> > &b);
<a name="l00040"></a>00040 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#a067494738d0f55b9df745866cdc3fe56">mult_matrix_f</a> (<span class="keywordtype">double</span> *c, <span class="keywordtype">double</span> *a, <span class="keywordtype">double</span> *b, <span class="keywordtype">int</span> rows, <span class="keywordtype">int</span> cols);
<a name="l00041"></a>00041 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#a37830c949ab96aad9b5041a82895ba8e">mult_matrix_ff</a>(<span class="keywordtype">double</span> **c, <span class="keywordtype">double</span> **a, <span class="keywordtype">double</span> **b, <span class="keywordtype">int</span> rows, <span class="keywordtype">int</span> cols);
<a name="l00042"></a>00042
<a name="l00043"></a>00043 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#a6e5ee2fd1515457cb4a6e9394a5a14ff">invert_matrix</a>(std::vector<std::vector<double> > &m, <span class="keywordtype">double</span> &det);
<a name="l00044"></a>00044 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#afb96cdaafd5073c2e806d36ec4e7eef4">invert_matrix_f</a> (<span class="keywordtype">double</span> *m, <span class="keywordtype">double</span> &det, <span class="keywordtype">int</span> rows, <span class="keywordtype">int</span> cols);
<a name="l00045"></a>00045 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#afa4aad5bde182eebe57cedcf1727b2fc">invert_matrix_ff</a>(<span class="keywordtype">double</span> **m, <span class="keywordtype">double</span> &det, <span class="keywordtype">int</span> rows, <span class="keywordtype">int</span> cols);
<a name="l00046"></a>00046
<a name="l00047"></a>00047 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#a8580b3fa2a0435b2d073c22097d1d35e">convert_matrix_f</a> (std::vector<std::vector<double> > &src, <span class="keywordtype">double</span> *dst);
<a name="l00048"></a>00048 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#ab06c9b9e02affa91406755a0b9fb28e1">convert_matrix_ff</a>(std::vector<std::vector<double> > &src, <span class="keywordtype">double</span> **dst);
<a name="l00049"></a>00049 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#a8580b3fa2a0435b2d073c22097d1d35e">convert_matrix_f</a> (<span class="keywordtype">double</span> *src, std::vector<std::vector<double> > &dst, <span class="keywordtype">int</span> rows, <span class="keywordtype">int</span> cols);
<a name="l00050"></a>00050 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#ab06c9b9e02affa91406755a0b9fb28e1">convert_matrix_ff</a>(<span class="keywordtype">double</span> **src, std::vector<std::vector<double> > &dst, <span class="keywordtype">int</span> rows, <span class="keywordtype">int</span> cols);
<a name="l00051"></a>00051 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#a8a3508df81e444f875d5f493a1bcbe28">convert_matrix_ff_f</a>(<span class="keywordtype">double</span> **src, <span class="keywordtype">double</span> *dst, <span class="keywordtype">int</span> rows, <span class="keywordtype">int</span> cols);
<a name="l00052"></a>00052 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#acbf2348ce7eae39aca355a630f06484c">convert_matrix_f_ff</a>(<span class="keywordtype">double</span> *src, <span class="keywordtype">double</span> **dst, <span class="keywordtype">int</span> rows, <span class="keywordtype">int</span> cols);
<a name="l00053"></a>00053
<a name="l00054"></a>00054 }
<a name="l00055"></a>00055
<a name="l00056"></a>00056 <span class="preprocessor">#endif // OB_MATRIX_H</span>
<a name="l00057"></a>00057 <span class="preprocessor"></span>
</pre></div></div>
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