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matrix.h

00001 // -*- C++ -*-
00002 
00003 /* 
00004  * Gnome Chemistry Utils
00005  * matrix.h 
00006  *
00007  * Copyright (C) 2000-2004
00008  *
00009  * Developed by Jean Bréfort <jean.brefort@normalesup.org>
00010  *
00011  * This program is free software; you can redistribute it and/or 
00012  * modify it under the terms of the GNU General Public License as 
00013  * published by the Free Software Foundation; either version 2 of the
00014  * License, or (at your option) any later version.
00015  *
00016  * This program is distributed in the hope that it will be useful,
00017  * but WITHOUT ANY WARRANTY; without even the implied warranty of
00018  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
00019  * GNU General Public License for more details.
00020  *
00021  * You should have received a copy of the GNU General Public License
00022  * along with this program; if not, write to the Free Software
00023  * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301
00024  * USA
00025  */
00026  
00027 #ifndef GCU_MATRIX_H
00028 #define GCU_MATRIX_H
00029 
00030 namespace gcu
00031 {
00032 
00043 enum MatrixType {euler, antieuler, rotation};
00044 
00048 class Matrix  
00049 {
00050 public:
00051 
00055         Matrix ();
00059         virtual ~Matrix ();
00078         Matrix (double Psi, double Theta, double Phi, MatrixType Type);
00092         Matrix (double x11, double x12, double x13, double x21, double x22, double x23, double x31, double x32, double x33);
00098         Matrix& operator* (Matrix& cMat);
00104         Matrix& operator= (Matrix& cMat);
00112         void Euler (double& Psi, double& Theta, double& Phi);
00121         void Transform (double &dx, double &dy , double &dz);
00122         
00123 private:
00124         double x[3][3];
00125 };
00126 
00127 }       //namespace gcu
00128 
00129 #endif //GCRYSTAL_MATRIX_H

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