RDKit::SmartsWrite Namespace Reference

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

Function Documentation

GetAtomSmarts() [1/2]

std::string RDKit::SmartsWrite::GetAtomSmarts ( const Atom *  qatom )

inline

returns the SMARTS for an Atom

Definition at line 29 of file SmartsWrite.h.

References GetAtomSmarts(), and RDKit::rdvalue_is().

GetAtomSmarts() [2/2]

RDKIT_SMILESPARSE_EXPORT std::string RDKit::SmartsWrite::GetAtomSmarts	(	const Atom *	qatom,
		const SmilesWriteParams &	params
	)

returns the SMARTS for an Atom

Referenced by GetAtomSmarts().

GetBondSmarts() [1/2]

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

returns the SMARTS for a Bond

Referenced by GetBondSmarts().

GetBondSmarts() [2/2]

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

inline

returns the SMARTS for a Bond

Definition at line 38 of file SmartsWrite.h.

References RDKit::SmilesWriteParams::doIsomericSmiles, GetBondSmarts(), and RDKit::rdvalue_is().