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00025 #ifndef GCU_ATOM_H
00026 #define GCU_ATOM_H
00027
00028 #include <map>
00029 #include <glib.h>
00030 #include "object.h"
00031
00032 namespace gcu
00033 {
00034
00035 class Bond;
00040 class Atom: public Object
00041 {
00042 public:
00046 Atom ();
00055 Atom (int Z, double x, double y, double z = 0.);
00061 Atom (Atom& a);
00067 Atom& operator= (Atom& a);
00071 virtual ~Atom ();
00072
00073 public :
00078 double Distance (Atom* pAtom);
00084 void zoom (double ZoomFactor);
00093 virtual bool GetCoords (double *x, double *y, double *z = NULL);
00101 void SetCoords (double x, double y, double z = 0) {m_x = x; m_y = y; m_z = z;}
00105 int GetZ () {return m_Z;}
00112 virtual void SetZ (int Z);
00118 void SetCharge (char Charge) {m_Charge = Charge;}
00122 char GetCharge () {return m_Charge;}
00126 const gchar* GetSymbol ();
00132 virtual void AddBond (Bond* pBond);
00138 virtual void RemoveBond (Bond* pBond);
00142 double x () {return m_x;}
00146 double y () {return m_y;}
00150 double z () {return m_z;}
00157 Bond* GetFirstBond (std::map<Atom*, Bond*>::iterator& i);
00164 Bond* GetNextBond (std::map<Atom*, Bond*>::iterator& i);
00169 Bond* GetBond (Atom* pAtom);
00173 int GetBondsNumber () {return m_Bonds.size();}
00178 virtual xmlNodePtr Save (xmlDocPtr xml);
00184 virtual bool Load (xmlNodePtr node);
00191 virtual bool LoadNode (xmlNodePtr node);
00199 virtual bool SaveNode (xmlDocPtr xml, xmlNodePtr node);
00207 virtual void Move (double x, double y, double z = 0.);
00215 virtual void Transform2D (Matrix2D& m, double x, double y);
00216
00217 protected:
00221 int m_Z;
00225 double m_x;
00229 double m_y;
00233 double m_z;
00237 char m_Charge;
00241 std::map<Atom*, Bond*> m_Bonds;
00242 };
00243
00244 }
00245 #endif // GCU_ATOM_H