The Gnome Chemistry Utils: matrix.h Source File

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# matrix.h

    00001 // -*- C++ -*-
    00002
    00003 /*
    00004  * Gnome Chemistry Utils
    00005  * matrix.h
    00006  *
    00007  * Copyright (C) 2000-2004 Jean Bréfort <jean.brefort@normalesup.org>
    00008  *
    00009  * This program is free software; you can redistribute it and/or
    00010  * modify it under the terms of the GNU General Public License as
    00011  * published by the Free Software Foundation; either version 2 of the
    00012  * License, or (at your option) any later version.
    00013  *
    00014  * This program is distributed in the hope that it will be useful,
    00015  * but WITHOUT ANY WARRANTY; without even the implied warranty of
    00016  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    00017  * GNU General Public License for more details.
    00018  *
    00019  * You should have received a copy of the GNU General Public License
    00020  * along with this program; if not, write to the Free Software
    00021  * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301
    00022  * USA
    00023  */
    00024
    00025 #ifndef GCU_MATRIX_H
    00026 #define GCU_MATRIX_H
    00027
    00028 namespace gcu
    00029 {
    00030
    00041 enum MatrixType {euler, antieuler, rotation};
    00042
    00046 class Matrix
    00047 {
    00048 public:
    00049
    00053         Matrix ();
    00057         virtual ~Matrix ();
    00076         Matrix (double Psi, double Theta, double Phi, MatrixType Type);
    00090         Matrix (double x11, double x12, double x13, double x21, double x22, double x23, double x31, double x32, double x33);
    00096         Matrix& operator* (Matrix& cMat);
    00102         Matrix& operator= (Matrix& cMat);
    00110         void Euler (double& Psi, double& Theta, double& Phi);
    00119         void Transform (double &dx, double &dy , double &dz);
    00120
    00121 private:
    00122         double x[3][3];
    00123 };
    00124
    00125 }       //namespace gcu
    00126
    00127 #endif //GCRYSTAL_MATRIX_H