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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 using namespace std;
00033
00034 namespace gcu
00035 {
00036
00037 class Bond;
00042 class Atom: public Object
00043 {
00044 public:
00048 Atom ();
00057 Atom (int Z, double x, double y, double z = 0.);
00063 Atom (Atom& a);
00069 Atom& operator= (Atom& a);
00073 virtual ~Atom ();
00074
00075 public :
00080 double Distance (Atom* pAtom);
00086 void zoom (double ZoomFactor);
00095 virtual bool GetCoords (double *x, double *y, double *z = NULL);
00103 void SetCoords (double x, double y, double z = 0) {m_x = x; m_y = y; m_z = z;}
00107 int GetZ () {return m_Z;}
00114 virtual void SetZ (int Z);
00120 void SetCharge (char Charge) {m_Charge = Charge;}
00124 char GetCharge () {return m_Charge;}
00128 const gchar* GetSymbol ();
00134 virtual void AddBond (Bond* pBond);
00140 virtual void RemoveBond (Bond* pBond);
00144 double x () {return m_x;}
00148 double y () {return m_y;}
00152 double z () {return m_z;}
00159 Bond* GetFirstBond (map<Atom*, Bond*>::iterator& i);
00166 Bond* GetNextBond (map<Atom*, Bond*>::iterator& i);
00171 Bond* GetBond (Atom* pAtom);
00175 int GetBondsNumber () {return m_Bonds.size();}
00180 virtual xmlNodePtr Save (xmlDocPtr xml);
00186 virtual bool Load (xmlNodePtr node);
00193 virtual bool LoadNode (xmlNodePtr node);
00201 virtual bool SaveNode (xmlDocPtr xml, xmlNodePtr node);
00209 virtual void Move (double x, double y, double z = 0.);
00217 virtual void Transform2D (Matrix2D& m, double x, double y);
00218
00219 protected:
00223 int m_Z;
00227 double m_x;
00231 double m_y;
00235 double m_z;
00239 char m_Charge;
00243 map<Atom*, Bond*> m_Bonds;
00244 };
00245
00246 }
00247 #endif // GCU_ATOM_H