RDKit::MolOps::details Namespace Reference

Functions
RDKIT_GRAPHMOL_EXPORT void	KekulizeFragment (RWMol &mol, const boost::dynamic_bitset<> &atomsToUse, boost::dynamic_bitset<> bondsToUse, bool markAtomsBonds=true, unsigned int maxBackTracks=100)
	not recommended for use in other code More...
RDKIT_GRAPHMOL_EXPORT std::vector< int >	hapticBondEndpoints (const Bond *bond)

Function Documentation

hapticBondEndpoints()

RDKIT_GRAPHMOL_EXPORT std::vector< int > RDKit::MolOps::details::hapticBondEndpoints

(

const Bond *

bond

)

KekulizeFragment()

RDKIT_GRAPHMOL_EXPORT void RDKit::MolOps::details::KekulizeFragment	(	RWMol &	mol,
		const boost::dynamic_bitset<> &	atomsToUse,
		boost::dynamic_bitset<>	bondsToUse,
		bool	markAtomsBonds = true,
		unsigned int	maxBackTracks = 100
	)

not recommended for use in other code