00001
00002
00003
00004
00005
00006
00007
00008
00009
00010
00011
00012
00013
00014
00015
00016
00017
00018
00019
00020
00021
00022
00023
00024
00025 #ifndef CRYSTAL_LINE_H
00026 #define CRYSTAL_LINE_H
00027
00028 #include <libxml/parser.h>
00029 #include <list>
00030
00031 using namespace std;
00032
00033 namespace gcu
00034 {
00035
00044 enum CrystalLineType
00045 {
00046 edges = 0,
00047 diagonals,
00048 medians,
00049 normal,
00050 unique
00051 };
00052
00056 class CrystalLine
00057 {
00058 public:
00062 CrystalLine ();
00066 virtual ~CrystalLine ();
00067
00068 public :
00085 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);
00091 CrystalLine (CrystalLine& clLine);
00098 CrystalLine& operator= (CrystalLine& clLine);
00099
00103 double X1 (void) {return m_dx;}
00107 double Y1 (void) {return m_dy;}
00111 double Z1 (void) {return m_dz;}
00115 double X2 (void) {return m_dx2;}
00119 double Y2 (void) {return m_dy2;}
00123 double Z2 (void) {return m_dz2;}
00127 double Xmax ();
00131 double Ymax ();
00135 double Zmax ();
00139 double Xmin ();
00143 double Ymin ();
00147 double Zmin ();
00151 double Long () {return m_dl;}
00155 CrystalLineType Type () {return m_nType;}
00166 void SetPosition (double x, double y, double z, double x1, double y1, double z1);
00175 void SetColor (float red, float green, float blue, float alpha);
00184 void GetColor (double *red, double *green, double *blue, double *alpha);
00190 void SetRadius (double r);
00194 double GetRadius () {return m_dr;};
00199 bool operator== (CrystalLine& clLine);
00207 virtual void Move (double x, double y, double z);
00218 double ScalProd (int h, int k, int l);
00223 void Cleave () {m_nCleave++;}
00236 void NetToCartesian (double a, double b, double c, double alpha, double beta, double gamma);
00249 double Distance (double x, double y, double z, bool bFixed);
00253 bool IsCleaved () {return m_nCleave != 0;}
00263 void GetRotation (double& x, double& y, double& z, double& th);
00270 virtual xmlNodePtr Save (xmlDocPtr xml);
00276 virtual bool Load (xmlNodePtr node);
00277
00278 protected :
00282 float m_fBlue;
00286 float m_fRed;
00290 float m_fGreen;
00294 float m_fAlpha;
00298 double m_dx;
00302 double m_dy;
00306 double m_dz;
00310 double m_dx2;
00314 double m_dy2;
00318 double m_dz2;
00322 double m_dr;
00328 int m_nCleave;
00337 CrystalLineType m_nType;
00338
00339 private:
00340 double m_dl;
00341 double m_dxrot;
00342 double m_dyrot;
00343 double m_darot;
00344 };
00345
00349 typedef list<CrystalLine*> CrystalLineList;
00350
00351 extern char const *LineTypeName[];
00352
00353 }
00354
00355 #endif // CRYSTAL_BOND_H