RDKit::SmartsWrite Namespace Reference

Functions
RDKIT_SMILESPARSE_EXPORT std::string	GetAtomSmarts (const Atom *qatom)
	returns the SMARTS for an Atom
RDKIT_SMILESPARSE_EXPORT std::string	GetBondSmarts (const Bond *qbond, int atomToLeftIdx=-1)
	returns the SMARTS for a Bond

Function Documentation

GetAtomSmarts()

RDKIT_SMILESPARSE_EXPORT std::string RDKit::SmartsWrite::GetAtomSmarts

(

const Atom *

qatom

)

returns the SMARTS for an Atom

GetBondSmarts()

RDKIT_SMILESPARSE_EXPORT std::string RDKit::SmartsWrite::GetBondSmarts	(	const Bond *	qbond,
		int	atomToLeftIdx = -1 )

returns the SMARTS for a Bond