RDKit::ScaffoldNetwork::detail Namespace Reference

Functions
RDKIT_SCAFFOLDNETWORK_EXPORT std::vector< std::pair< std::string, ROMOL_SPTR > >	getMolFragments (const ROMol &mol, const ScaffoldNetworkParams &params)
RDKIT_SCAFFOLDNETWORK_EXPORT ROMol *	makeScaffoldGeneric (const ROMol &mol, bool doAtoms, bool doBonds)
RDKIT_SCAFFOLDNETWORK_EXPORT ROMol *	removeAttachmentPoints (const ROMol &mol, const ScaffoldNetworkParams &params)
RDKIT_SCAFFOLDNETWORK_EXPORT ROMol *	pruneMol (const ROMol &mol, const ScaffoldNetworkParams &params)
RDKIT_SCAFFOLDNETWORK_EXPORT ROMol *	flattenMol (const ROMol &mol, const ScaffoldNetworkParams &params)
RDKIT_SCAFFOLDNETWORK_EXPORT void	addMolToNetwork (const ROMol &mol, ScaffoldNetwork &network, const ScaffoldNetworkParams &params)

Function Documentation

addMolToNetwork()

RDKIT_SCAFFOLDNETWORK_EXPORT void RDKit::ScaffoldNetwork::detail::addMolToNetwork	(	const ROMol &	mol,
		ScaffoldNetwork &	network,
		const ScaffoldNetworkParams &	params )

References RDKIT_SCAFFOLDNETWORK_EXPORT.

flattenMol()

RDKIT_SCAFFOLDNETWORK_EXPORT ROMol * RDKit::ScaffoldNetwork::detail::flattenMol	(	const ROMol &	mol,
		const ScaffoldNetworkParams &	params )

References RDKIT_SCAFFOLDNETWORK_EXPORT.

getMolFragments()

RDKIT_SCAFFOLDNETWORK_EXPORT std::vector< std::pair< std::string, ROMOL_SPTR > > RDKit::ScaffoldNetwork::detail::getMolFragments	(	const ROMol &	mol,
		const ScaffoldNetworkParams &	params )

makeScaffoldGeneric()

RDKIT_SCAFFOLDNETWORK_EXPORT ROMol * RDKit::ScaffoldNetwork::detail::makeScaffoldGeneric	(	const ROMol &	mol,
		bool	doAtoms,
		bool	doBonds )

References RDKIT_SCAFFOLDNETWORK_EXPORT.

pruneMol()

RDKIT_SCAFFOLDNETWORK_EXPORT ROMol * RDKit::ScaffoldNetwork::detail::pruneMol	(	const ROMol &	mol,
		const ScaffoldNetworkParams &	params )

References RDKIT_SCAFFOLDNETWORK_EXPORT.

removeAttachmentPoints()

RDKIT_SCAFFOLDNETWORK_EXPORT ROMol * RDKit::ScaffoldNetwork::detail::removeAttachmentPoints	(	const ROMol &	mol,
		const ScaffoldNetworkParams &	params )

References RDKIT_SCAFFOLDNETWORK_EXPORT.