RDKit::SmartsWrite Namespace Reference

Functions
RDKIT_SMILESPARSE_EXPORT std::string	GetAtomSmarts (const QueryAtom *qatom)
	returns the SMARTS for a QueryAtom More...
RDKIT_SMILESPARSE_EXPORT std::string	GetBondSmarts (const QueryBond *qbond, int atomToLeftIdx=-1)
	returns the SMARTS for a QueryBond More...

Function Documentation

GetAtomSmarts()

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

(

const QueryAtom *

qatom

)

returns the SMARTS for a QueryAtom

GetBondSmarts()

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

returns the SMARTS for a QueryBond