RxDock: rxdock::HHSType Class Reference

Public Types
enum	eType { UNDEFINED = 0 , C_sp3 , CH_sp3 , CH2_sp3 , CH3_sp3 , C_sp2 , CH_sp2 , CH2_sp2 , C_sp2p , C_ar , CH_ar , C_sp , C_sp3_P , CH_sp3_P , CH2_sp3_P , CH3_sp3_P , C_sp2_P , CH_sp2_P , CH2_sp2_P , C_ar_P , CH_ar_P , H , HO , HN , HNp , HS , O_sp3 , OH_sp3 , OW , O_tri , OH_tri , O_sp2 , ON , Om , N_sp3 , NH_sp3 , NH2_sp3 , N_sp3p , N_tri , NH_tri , NH2_tri , N_sp2 , N_sp2p , N_ar , N_sp , S_sp3 , S_sp2 , P , F , Cl , Br , I , Metal , MAXTYPES }

Public Member Functions
eType	operator() (Atom *anAtom) const

std::string	Type2Str (eType) const

eType	Str2Type (const std::string &) const

The documentation for this class was generated from the following files:

Public Types