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<h1>matrix.h</h1><a href="matrix_8h.html">Go to the documentation of this file.</a><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">// -*- C++ -*-</span>
<a name="l00002"></a>00002
<a name="l00003"></a>00003 <span class="comment">/* </span>
<a name="l00004"></a>00004 <span class="comment"> * Gnome Chemistry Utils</span>
<a name="l00005"></a>00005 <span class="comment"> * matrix.h </span>
<a name="l00006"></a>00006 <span class="comment"> *</span>
<a name="l00007"></a>00007 <span class="comment"> * Copyright (C) 2000-2008 Jean Bréfort <jean.brefort@normalesup.org></span>
<a name="l00008"></a>00008 <span class="comment"> *</span>
<a name="l00009"></a>00009 <span class="comment"> * This program is free software; you can redistribute it and/or </span>
<a name="l00010"></a>00010 <span class="comment"> * modify it under the terms of the GNU General Public License as </span>
<a name="l00011"></a>00011 <span class="comment"> * published by the Free Software Foundation; either version 2 of the</span>
<a name="l00012"></a>00012 <span class="comment"> * License, or (at your option) any later version.</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 <span class="comment"> * You should have received a copy of the GNU General Public License</span>
<a name="l00020"></a>00020 <span class="comment"> * along with this program; if not, write to the Free Software</span>
<a name="l00021"></a>00021 <span class="comment"> * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301</span>
<a name="l00022"></a>00022 <span class="comment"> * USA</span>
<a name="l00023"></a>00023 <span class="comment"> */</span>
<a name="l00024"></a>00024
<a name="l00025"></a>00025 <span class="preprocessor">#ifndef GCU_MATRIX_H</span>
<a name="l00026"></a>00026 <span class="preprocessor"></span><span class="preprocessor">#define GCU_MATRIX_H</span>
<a name="l00027"></a>00027 <span class="preprocessor"></span>
<a name="l00028"></a>00028 <span class="preprocessor">#include <openbabel/math/vector3.h></span>
<a name="l00029"></a>00029
<a name="l00031"></a>00031 <span class="keyword">namespace </span>gcu
<a name="l00032"></a>00032 {
<a name="l00033"></a>00033
<a name="l00044"></a><a class="code" href="namespacegcu.html#a61b2c1e88b71e939f229107e8bc5615a">00044</a> <span class="keyword">enum</span> <a class="code" href="namespacegcu.html#a61b2c1e88b71e939f229107e8bc5615a">MatrixType</a> {euler, antieuler, rotation};
<a name="l00045"></a>00045
<a name="l00049"></a><a class="code" href="classgcu_1_1Matrix.html">00049</a> <span class="keyword">class </span><a class="code" href="classgcu_1_1Matrix.html">Matrix</a>
<a name="l00050"></a>00050 {
<a name="l00051"></a>00051 <span class="keyword">public</span>:
<a name="l00052"></a>00052
<a name="l00056"></a>00056 <a class="code" href="classgcu_1_1Matrix.html#a80257f73182ab589930c1d0f13740bc3">Matrix</a> ();
<a name="l00060"></a>00060 <span class="keyword">virtual</span> <a class="code" href="classgcu_1_1Matrix.html#a2241fb13c82207ababfc26294e22b269">~Matrix</a> ();
<a name="l00079"></a>00079 <a class="code" href="classgcu_1_1Matrix.html#a80257f73182ab589930c1d0f13740bc3">Matrix</a> (<span class="keywordtype">double</span> Psi, <span class="keywordtype">double</span> Theta, <span class="keywordtype">double</span> Phi, <a class="code" href="namespacegcu.html#a61b2c1e88b71e939f229107e8bc5615a">MatrixType</a> Type);
<a name="l00093"></a>00093 <a class="code" href="classgcu_1_1Matrix.html#a80257f73182ab589930c1d0f13740bc3">Matrix</a> (<span class="keywordtype">double</span> x11, <span class="keywordtype">double</span> x12, <span class="keywordtype">double</span> x13, <span class="keywordtype">double</span> x21, <span class="keywordtype">double</span> x22, <span class="keywordtype">double</span> x23, <span class="keywordtype">double</span> x31, <span class="keywordtype">double</span> x32, <span class="keywordtype">double</span> x33);
<a name="l00099"></a>00099 <a class="code" href="classgcu_1_1Matrix.html">Matrix</a>& <a class="code" href="classgcu_1_1Matrix.html#aa8e0fca97ec76c9401c6874badab16db">operator* </a>(<a class="code" href="classgcu_1_1Matrix.html">Matrix</a> <span class="keyword">const</span> &cMat) <span class="keyword">const</span>;
<a name="l00105"></a>00105 <a class="code" href="classgcu_1_1Matrix.html">Matrix</a>& <a class="code" href="classgcu_1_1Matrix.html#af764fcd6e477df4d1f61cbce7618ba4d">operator= </a>(<a class="code" href="classgcu_1_1Matrix.html">Matrix</a> <span class="keyword">const</span> &cMat);
<a name="l00113"></a>00113 <span class="keywordtype">void</span> <a class="code" href="classgcu_1_1Matrix.html#a0705c5d58d5cad20851db4502717ad67">Euler</a> (<span class="keywordtype">double</span>& Psi, <span class="keywordtype">double</span>& Theta, <span class="keywordtype">double</span>& Phi);
<a name="l00122"></a>00122 <span class="keywordtype">void</span> <a class="code" href="classgcu_1_1Matrix.html#a6e78a3e4d8624d596073810d6ffc5f3b">Transform</a> (<span class="keywordtype">double</span> &dx, <span class="keywordtype">double</span> &dy , <span class="keywordtype">double</span> &dz) <span class="keyword">const</span>;
<a name="l00123"></a>00123 OpenBabel::vector3 <a class="code" href="classgcu_1_1Matrix.html#aa8e0fca97ec76c9401c6874badab16db">operator* </a>(OpenBabel::vector3 <span class="keyword">const</span> &v) <span class="keyword">const</span>;
<a name="l00124"></a>00124
<a name="l00125"></a>00125 <span class="keyword">private</span>:
<a name="l00126"></a>00126 <span class="keywordtype">double</span> x[3][3];
<a name="l00127"></a>00127 };
<a name="l00128"></a>00128
<a name="l00132"></a><a class="code" href="classgcu_1_1GLMatrix.html">00132</a> <span class="keyword">class </span><a class="code" href="classgcu_1_1GLMatrix.html">GLMatrix</a>
<a name="l00133"></a>00133 {
<a name="l00134"></a>00134 <span class="keyword">public</span>:
<a name="l00138"></a>00138 <a class="code" href="classgcu_1_1GLMatrix.html#a849b8fa2b68d5ac26a5948429e3871ff">GLMatrix</a> ();
<a name="l00142"></a>00142 <span class="keyword">virtual</span> <a class="code" href="classgcu_1_1GLMatrix.html#a303db98c17c6e56edb46ef7f964efb37">~GLMatrix</a> ();
<a name="l00143"></a>00143
<a name="l00149"></a><a class="code" href="classgcu_1_1GLMatrix.html#aad196fd42124507b1601d31126887f9a">00149</a> <span class="keywordtype">double</span> &<a class="code" href="classgcu_1_1GLMatrix.html#aad196fd42124507b1601d31126887f9a">operator() </a>(<span class="keywordtype">int</span> i, <span class="keywordtype">int</span> j) {<span class="keywordflow">return</span> x[i][j];}
<a name="l00153"></a><a class="code" href="classgcu_1_1GLMatrix.html#a1bb2dd20911c99cae3717a2823fd9904">00153</a> <span class="keywordtype">double</span> *<a class="code" href="classgcu_1_1GLMatrix.html#a1bb2dd20911c99cae3717a2823fd9904">array</a> () {<span class="keywordflow">return</span> (<span class="keywordtype">double</span>*) x;}
<a name="l00154"></a>00154
<a name="l00155"></a>00155 <span class="keyword">private</span>:
<a name="l00156"></a>00156 <span class="keywordtype">double</span> x[4][4];
<a name="l00157"></a>00157 };
<a name="l00158"></a>00158
<a name="l00159"></a>00159 } <span class="comment">//namespace gcu</span>
<a name="l00160"></a>00160
<a name="l00161"></a>00161 <span class="preprocessor">#endif //GCRYSTAL_MATRIX_H</span>
</pre></div></div>
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