RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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Public Member Functions | Friends | List of all members
rxdock::Bond Class Reference

Public Member Functions

 Bond (int nBondId, AtomPtr &spAtom1, AtomPtr &spAtom2, int nFormalBondOrder=1)
 
 Bond (json j)
 
 Bond (const Bond &bond)
 
Bond & operator= (const Bond &bond)
 
int GetBondId () const
 
void SetBondId (const int nBondId)
 
AtomPtr GetAtom1Ptr () const
 
AtomPtr GetAtom2Ptr () const
 
void SetAtom1Ptr (AtomPtr &spAtom1)
 
void SetAtom2Ptr (AtomPtr &spAtom2)
 
int GetFormalBondOrder () const
 
void SetFormalBondOrder (const int nFormalBondOrder)
 
double GetPartialBondOrder () const
 
void SetPartialBondOrder (const double dPartialBondOrder)
 
bool GetCyclicFlag () const
 
void SetCyclicFlag (bool bCyclic=true)
 
bool GetSelectionFlag () const
 
void SetSelectionFlag (bool bSelected=true)
 
double Length () const
 

Friends

RBTDLL_EXPORT friend std::ostream & operator<< (std::ostream &s, const Bond &bond)
 
void to_json (json &j, const Bond &bond)
 
void from_json (const json &j, Bond &bond)
 
The documentation for this class was generated from the following files:
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