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00027 #ifndef CRYSTAL_BOND_H
00028 #define CRYSTAL_BOND_H
00029
00030 #include <libxml/parser.h>
00031 #include <list>
00032 #include "bond.h"
00033
00034 using namespace std;
00035
00036 namespace gcu
00037 {
00038
00042 class CrystalBond: public Bond
00043 {
00044 public:
00045 CrystalBond();
00046 virtual ~CrystalBond();
00047
00048 public :
00049 CrystalBond(double X1, double Y1, double Z1, double X2, double Y2, double Z2, double r, float red, float green, float blue, float alpha);
00050 CrystalBond(CrystalBond& cbBond);
00051 CrystalBond& operator=(CrystalBond&);
00052
00053 void Draw();
00054 double X1(void) {return m_dx;}
00055 double Y1(void) {return m_dy;}
00056 double Z1(void) {return m_dz;}
00057 double X2(void) {return m_dx2;}
00058 double Y2(void) {return m_dy2;}
00059 double Z2(void) {return m_dz2;}
00060 double Xmax();
00061 double Ymax();
00062 double Zmax();
00063 double Xmin();
00064 double Ymin();
00065 double Zmin();
00066 double Long() {return m_dl;}
00067 void SetPosition(double x, double y, double z, double x1, double y1, double z1);
00068 void SetColor(float red, float green, float blue, float alpha);
00069 void GetColor(double *red, double *green, double *blue, double *alpha);
00070 void SetRadius(double r);
00071 double GetRadius() {return m_dr;};
00072 bool operator==(CrystalBond&);
00073 virtual void Move(double x, double y, double z);
00074 double ScalProd(int h, int k, int l);
00075 void Cleave() {m_nCleave++;}
00076 void NetToCartesian(double a, double b, double c, double alpha, double beta, double gamma);
00077 double Distance(double x, double y, double z, bool bFixed);
00078 bool IsCleaved() {return m_nCleave != 0;}
00079 void GetRotation(double& x, double& y, double& z, double& th);
00080 virtual xmlNodePtr Save(xmlDocPtr xml);
00081 virtual bool Load(xmlNodePtr node);
00082
00083 private :
00084 float m_fBlue, m_fRed, m_fGreen, m_fAlpha;
00085 double m_dx, m_dy, m_dz, m_dx2, m_dy2, m_dz2, m_dr, m_dl;
00086 double m_dxrot, m_dyrot, m_darot;
00087 int m_nCleave;
00088 };
00089
00090 typedef list<CrystalBond*> CrystalBondList;
00091
00092 }
00093
00094 #endif // CRYSTAL_BOND_H