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matrix.h

00001 // -*- C++ -*-
00002 
00003 /* 
00004  * Gnome Chemistry Utils
00005  * chemistry/matrix.h 
00006  *
00007  * Copyright (C) 2000-2003
00008  *
00009  * Developed by Jean Bréfort <jean.brefort@ac-dijon.fr>
00010  *
00011  * This library is free software; you can redistribute it and/or
00012  * modify it under the terms of the GNU Lesser General Public
00013  * License as published by the Free Software Foundation; either
00014  * version 2.1 of the License, or (at your option) any later version.
00015  *
00016  * This library 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 GNU
00019  * Lesser General Public License for more details.
00020  *
00021  * You should have received a copy of the GNU Lesser General Public
00022  * License along with this library; if not, write to the 
00023  * Free Software Foundation, Inc., 59 Temple Place - Suite 330,
00024  * Boston, MA  02111-1307, USA.
00025  */
00026  
00027 #ifndef GCU_MATRIX_H
00028 #define GCU_MATRIX_H
00029 
00030 #include <glib.h>
00031 
00032 namespace gcu
00033 {
00034 
00045 enum MatrixType {euler, antieuler, rotation};
00046 
00050 class Matrix  
00051 {
00052 public:
00053 
00057         Matrix();
00061         virtual ~Matrix();
00080         Matrix(gdouble Psi, gdouble Theta, gdouble Phi, MatrixType Type);
00094         Matrix(gdouble x11, gdouble x12, gdouble x13, gdouble x21, gdouble x22, gdouble x23, gdouble x31, gdouble x32, gdouble x33);
00100         Matrix& operator*(Matrix& cMat);
00106         Matrix& operator=(Matrix& cMat);
00114         void Euler(gdouble& Psi, gdouble& Theta, gdouble& Phi);
00123         void Transform(gdouble &dx, gdouble &dy , gdouble &dz);
00124         
00125 private :
00126         gdouble x[3][3];
00127 };
00128 
00129 }       //namespace gcu
00130 
00131 #endif //GCRYSTAL_MATRIX_H

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