rxdock::TriposAtomType Class Reference

Classes
struct	info

Public Types
enum	eType {   UNDEFINED = 0 , Al , Br , C_cat ,   C_1 , C_1_H1 , C_2 , C_2_H1 ,   C_2_H2 , C_3 , C_3_H1 , C_3_H2 ,   C_3_H3 , C_ar , C_ar_H1 , Ca ,   Cl , Du , F , H ,   H_P , I , K , Li ,   LP , N_1 , N_2 , N_3 ,   N_4 , N_am , N_ar , N_pl3 ,   Na , O_2 , O_3 , O_co2 ,   P_3 , S_2 , S_3 , S_o ,   S_o2 , Si , MAXTYPES }

Public Member Functions
eType	operator() (Atom *pAtom, bool useExtendedTypes=false) const
RBTDLL_EXPORT std::string	Type2Str (eType) const
int	Type2Hybrid (eType) const
int	Type2AtomicNo (eType) const
RBTDLL_EXPORT eType	Str2Type (const std::string &) const

Friends
void	to_json (json &j, const TriposAtomType &triposAtomType)
void	from_json (const json &j, TriposAtomType &triposAtomType)

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

• TriposAtomType.h
• TriposAtomType.cxx