matrix.h
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00025 #ifndef GCU_MATRIX_H
00026 #define GCU_MATRIX_H
00027
00028 #include <openbabel/math/vector3.h>
00029
00031 namespace gcu
00032 {
00033
00044 enum MatrixType {euler, antieuler, rotation};
00045
00049 class Matrix
00050 {
00051 public:
00052
00056 Matrix ();
00060 virtual ~Matrix ();
00079 Matrix (double Psi, double Theta, double Phi, MatrixType Type);
00093 Matrix (double x11, double x12, double x13, double x21, double x22, double x23, double x31, double x32, double x33);
00099 Matrix& operator* (Matrix const &cMat) const;
00105 Matrix& operator= (Matrix const &cMat);
00113 void Euler (double& Psi, double& Theta, double& Phi);
00122 void Transform (double &dx, double &dy , double &dz) const;
00123 OpenBabel::vector3 operator* (OpenBabel::vector3 const &v) const;
00124
00125 private:
00126 double x[3][3];
00127 };
00128
00132 class GLMatrix
00133 {
00134 public:
00138 GLMatrix ();
00142 virtual ~GLMatrix ();
00143
00149 double &operator() (int i, int j) {return x[i][j];}
00153 double *array () {return (double*) x;}
00154
00155 private:
00156 double x[4][4];
00157 };
00158
00159 }
00160
00161 #endif //GCRYSTAL_MATRIX_H