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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 using namespace std;
00033
00034 namespace gcu
00035 {
00036
00040 class CrystalBond: public Bond
00041 {
00042 public:
00043 CrystalBond ();
00044 virtual ~CrystalBond ();
00045
00046 public :
00047 CrystalBond (double X1, double Y1, double Z1, double X2, double Y2, double Z2, double r, float red, float green, float blue, float alpha);
00048 CrystalBond (CrystalBond& cbBond);
00049 CrystalBond& operator= (CrystalBond&);
00050
00051 void Draw ();
00052 double X1 (void) {return m_dx;}
00053 double Y1 (void) {return m_dy;}
00054 double Z1 (void) {return m_dz;}
00055 double X2 (void) {return m_dx2;}
00056 double Y2 (void) {return m_dy2;}
00057 double Z2 (void) {return m_dz2;}
00058 double Xmax ();
00059 double Ymax ();
00060 double Zmax ();
00061 double Xmin ();
00062 double Ymin ();
00063 double Zmin ();
00064 double Long () {return m_dl;}
00065 void SetPosition (double x, double y, double z, double x1, double y1, double z1);
00066 void SetColor (float red, float green, float blue, float alpha);
00067 void GetColor (double *red, double *green, double *blue, double *alpha);
00068 void SetRadius (double r);
00069 double GetRadius () {return m_dr;};
00070 bool operator== (CrystalBond&);
00071 virtual void Move (double x, double y, double z);
00072 double ScalProd (int h, int k, int l);
00073 void Cleave () {m_nCleave++;}
00074 void NetToCartesian (double a, double b, double c, double alpha, double beta, double gamma);
00075 double Distance (double x, double y, double z, bool bFixed);
00076 bool IsCleaved () {return m_nCleave != 0;}
00077 void GetRotation (double& x, double& y, double& z, double& th);
00078 virtual xmlNodePtr Save (xmlDocPtr xml);
00079 virtual bool Load (xmlNodePtr node);
00080
00081 private :
00082 float m_fBlue, m_fRed, m_fGreen, m_fAlpha;
00083 double m_dx, m_dy, m_dz, m_dx2, m_dy2, m_dz2, m_dr, m_dl;
00084 double m_dxrot, m_dyrot, m_darot;
00085 int m_nCleave;
00086 };
00087
00088 typedef list<CrystalBond*> CrystalBondList;
00089
00090 }
00091
00092 #endif // CRYSTAL_BOND_H