RDKit::ReactionRunnerUtils Namespace Reference

Functions
RDKIT_CHEMREACTIONS_EXPORT MOL_SPTR_VECT	generateOneProductSet (const ChemicalReaction &rxn, const MOL_SPTR_VECT &reactants, const std::vector< MatchVectType > &reactantsMatch)
RDKIT_CHEMREACTIONS_EXPORT RWMOL_SPTR	convertTemplateToMol (const ROMOL_SPTR prodTemplateSptr)

Function Documentation

convertTemplateToMol()

RDKIT_CHEMREACTIONS_EXPORT RWMOL_SPTR RDKit::ReactionRunnerUtils::convertTemplateToMol

(

const ROMOL_SPTR

prodTemplateSptr

)

generateOneProductSet()

RDKIT_CHEMREACTIONS_EXPORT MOL_SPTR_VECT RDKit::ReactionRunnerUtils::generateOneProductSet	(	const ChemicalReaction &	rxn,
		const MOL_SPTR_VECT &	reactants,
		const std::vector< MatchVectType > &	reactantsMatch )