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00025 #ifndef CRYSTAL_BOND_H
00026 #define CRYSTAL_BOND_H
00027
00028 #include <libxml/parser.h>
00029 #include <list>
00030 #include "bond.h"
00031
00032 namespace gcu
00033 {
00034
00038 class CrystalBond: public Bond
00039 {
00040 public:
00041 CrystalBond ();
00042 virtual ~CrystalBond ();
00043
00044 public :
00045 CrystalBond (double X1, double Y1, double Z1, double X2, double Y2, double Z2, double r, float red, float green, float blue, float alpha);
00046 CrystalBond (CrystalBond& cbBond);
00047 CrystalBond& operator= (CrystalBond&);
00048
00049 void Draw ();
00050 double X1 (void) {return m_dx;}
00051 double Y1 (void) {return m_dy;}
00052 double Z1 (void) {return m_dz;}
00053 double X2 (void) {return m_dx2;}
00054 double Y2 (void) {return m_dy2;}
00055 double Z2 (void) {return m_dz2;}
00056 double Xmax ();
00057 double Ymax ();
00058 double Zmax ();
00059 double Xmin ();
00060 double Ymin ();
00061 double Zmin ();
00062 double Long () {return m_dl;}
00063 void SetPosition (double x, double y, double z, double x1, double y1, double z1);
00064 void SetColor (float red, float green, float blue, float alpha);
00065 void GetColor (double *red, double *green, double *blue, double *alpha);
00066 void SetRadius (double r);
00067 double GetRadius () {return m_dr;};
00068 bool operator== (CrystalBond&);
00069 virtual void Move (double x, double y, double z);
00070 double ScalProd (int h, int k, int l);
00071 void Cleave () {m_nCleave++;}
00072 void NetToCartesian (double a, double b, double c, double alpha, double beta, double gamma);
00073 double Distance (double x, double y, double z, bool bFixed);
00074 bool IsCleaved () {return m_nCleave != 0;}
00075 void GetRotation (double& x, double& y, double& z, double& th);
00076 virtual xmlNodePtr Save (xmlDocPtr xml);
00077 virtual bool Load (xmlNodePtr node);
00078
00079 private :
00080 float m_fBlue, m_fRed, m_fGreen, m_fAlpha;
00081 double m_dx, m_dy, m_dz, m_dx2, m_dy2, m_dz2, m_dr, m_dl;
00082 double m_dxrot, m_dyrot, m_darot;
00083 int m_nCleave;
00084 };
00085
00086 typedef std::list<CrystalBond*> CrystalBondList;
00087
00088 }
00089
00090 #endif // CRYSTAL_BOND_H