crystalline.h
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00025 #ifndef CRYSTAL_LINE_H
00026 #define CRYSTAL_LINE_H
00027
00028 #include <libxml/parser.h>
00029 #include <list>
00030
00032 namespace gcu
00033 {
00034
00043 enum CrystalLineType
00044 {
00045 edges = 0,
00046 diagonals,
00047 medians,
00048 normal,
00049 unique
00050 };
00051
00055 class CrystalLine
00056 {
00057 public:
00061 CrystalLine ();
00065 virtual ~CrystalLine ();
00066
00067 public :
00084 CrystalLine (CrystalLineType Type, double X1, double Y1, double Z1, double X2, double Y2, double Z2, double r, float red, float green, float blue, float alpha);
00090 CrystalLine (CrystalLine& clLine);
00097 CrystalLine& operator= (CrystalLine& clLine);
00098
00102 double X1 (void) {return m_dx;}
00106 double Y1 (void) {return m_dy;}
00110 double Z1 (void) {return m_dz;}
00114 double X2 (void) {return m_dx2;}
00118 double Y2 (void) {return m_dy2;}
00122 double Z2 (void) {return m_dz2;}
00126 double Xmax ();
00130 double Ymax ();
00134 double Zmax ();
00138 double Xmin ();
00142 double Ymin ();
00146 double Zmin ();
00150 double Long () {return m_dl;}
00154 CrystalLineType Type () {return m_nType;}
00165 void SetPosition (double x, double y, double z, double x1, double y1, double z1);
00174 void SetColor (float red, float green, float blue, float alpha);
00183 void GetColor (double *red, double *green, double *blue, double *alpha);
00189 void SetRadius (double r);
00193 double GetRadius () {return m_dr;};
00198 bool operator== (CrystalLine& clLine);
00206 virtual void Move (double x, double y, double z);
00217 double ScalProd (int h, int k, int l);
00222 void Cleave () {m_nCleave++;}
00235 void NetToCartesian (double a, double b, double c, double alpha, double beta, double gamma);
00248 double Distance (double x, double y, double z, bool bFixed);
00252 bool IsCleaved () {return m_nCleave != 0;}
00262 void GetRotation (double& x, double& y, double& z, double& th);
00269 virtual xmlNodePtr Save (xmlDocPtr xml) const;
00275 virtual bool Load (xmlNodePtr node);
00276
00277 protected :
00281 float m_fBlue;
00285 float m_fRed;
00289 float m_fGreen;
00293 float m_fAlpha;
00297 double m_dx;
00301 double m_dy;
00305 double m_dz;
00309 double m_dx2;
00313 double m_dy2;
00317 double m_dz2;
00321 double m_dr;
00327 int m_nCleave;
00336 CrystalLineType m_nType;
00337
00338 private:
00339 double m_dl;
00340 double m_dxrot;
00341 double m_dyrot;
00342 double m_darot;
00343 };
00344
00348 typedef std::list<CrystalLine*> CrystalLineList;
00349
00353 extern char const *LineTypeName[];
00354
00355 }
00356
00357 #endif // CRYSTAL_BOND_H