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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 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 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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