matrix.h

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// -*- C++ -*-

/*
 * Gnome Chemistry Utils
 * matrix.h
 *
 * Copyright (C) 2000-2010 Jean Bréfort <jean.brefort@normalesup.org>
 *
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU General Public License as
 * published by the Free Software Foundation; either version 3 of the
 * License, or (at your option) any later version.
 *
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU General Public License for more details.
 *
 * You should have received a copy of the GNU General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301
 * USA
 */

#ifndef GCU_MATRIX_H
#define GCU_MATRIX_H

namespace gcu
{

class Vector;

enum MatrixType {euler, antieuler, rotation};

class Matrix
{
public:

        Matrix ();
        Matrix (double d);
        Matrix (double d[3][3]);
        Matrix (Matrix const &m);
        Matrix (Vector const &v1, Vector const &v2, Vector const &v3, bool as_rows = true);
        virtual ~Matrix ();
        Matrix (double Psi, double Theta, double Phi, MatrixType Type);
        Matrix (double x11, double x12, double x13, double x21, double x22, double x23, double x31, double x32, double x33);
        Matrix& operator* (Matrix const &cMat) const;
        Matrix& operator= (Matrix const &cMat);
        void Euler (double& Psi, double& Theta, double& Phi);
        void Transform (double &dx, double &dy , double &dz) const;
        Vector operator* (Vector const &v) const;
        Vector glmult (Vector const &v) const;
        double &operator() (unsigned i, unsigned j) {return x[i][j];}
        double operator() (unsigned i, unsigned j) const {return x[i][j];}

private:
        double x[3][3];
};

class GLMatrix
{
public:
        GLMatrix ();
        virtual ~GLMatrix ();

        double &operator() (int i, int j) {return x[i][j];}
        double *array () {return (double*) x;}

private:
        double x[4][4];
};

}       //namespace gcu

#endif //GCRYSTAL_MATRIX_H