gcu/bond.h
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00025 #ifndef GCU_BOND_H
00026 #define GCU_BOND_H
00027
00028 #include <list>
00029 #include "object.h"
00030
00032 namespace gcu
00033 {
00034
00035 class Atom;
00036 class Cycle;
00037
00042 class Bond: public Object
00043 {
00044 public:
00048 Bond ();
00057 Bond (Atom* first, Atom* last, unsigned char order);
00061 virtual ~Bond ();
00062
00068 virtual Atom* GetAtom (int which) const;
00075 virtual Atom* GetAtom (Atom* pAtom, int which = 0) const;
00076
00080 unsigned char GetOrder () const;
00086 void SetOrder (unsigned char Order);
00091 virtual xmlNodePtr Save (xmlDocPtr xml) const;
00097 virtual bool Load (xmlNodePtr node);
00103 virtual void IncOrder (int n = 1);
00110 virtual bool LoadNode (xmlNodePtr node);
00118 virtual bool SaveNode (xmlDocPtr xml, xmlNodePtr node) const;
00126 virtual void Move (double x, double y, double z = 0.);
00134 virtual void Transform2D (Matrix2D& m, double x, double y);
00135
00143 bool SetProperty (unsigned property, char const *value);
00144
00148 virtual void AddCycle (Cycle* pCycle);
00149
00153 virtual void RemoveCycle (Cycle* pCycle);
00154
00158 virtual void RemoveAllCycles ();
00159
00163 unsigned IsCyclic () {return m_Cycles.size ();}
00164
00172 Cycle* GetFirstCycle (std::list<Cycle*>::iterator& i, Cycle * pCycle);
00173
00181 Cycle* GetNextCycle (std::list<Cycle*>::iterator& i, Cycle * pCycle);
00182
00188 bool IsInCycle (Cycle* pCycle);
00189
00193 double Get2DLength ();
00194
00200 double GetAngle2DRad (Atom* pAtom);
00201
00209 bool ReplaceAtom (Atom* oldAtom, Atom* newAtom);
00210
00211 protected:
00215 unsigned char m_order;
00219 Atom *m_Begin;
00223 Atom *m_End;
00224
00228 std::list<Cycle*> m_Cycles;
00229 };
00230
00231 }
00232
00233 #endif // GCU_BOND_H