SubstructUtils.h File Reference

#include <RDGeneral/export.h>
#include "SubstructMatch.h"

Go to the source code of this file.

Namespaces
namespace	RDKit
	Std stuff.

Functions
RDKIT_SUBSTRUCTMATCH_EXPORT double	RDKit::toPrime (const MatchVectType &v)
RDKIT_SUBSTRUCTMATCH_EXPORT void	RDKit::removeDuplicates (std::vector< MatchVectType > &v, unsigned int nAtoms)
RDKIT_SUBSTRUCTMATCH_EXPORT bool	RDKit::propertyCompat (const RDProps *r1, const RDProps *r2, const std::vector< std::string > &properties)
RDKIT_SUBSTRUCTMATCH_EXPORT bool	RDKit::atomCompat (const Atom *a1, const Atom *a2, const SubstructMatchParameters &ps)
RDKIT_SUBSTRUCTMATCH_EXPORT bool	RDKit::chiralAtomCompat (const Atom *a1, const Atom *a2)
RDKIT_SUBSTRUCTMATCH_EXPORT bool	RDKit::bondCompat (const Bond *b1, const Bond *b2, const SubstructMatchParameters &ps)
RDKIT_SUBSTRUCTMATCH_EXPORT const MatchVectType &	RDKit::getMostSubstitutedCoreMatch (const ROMol &mol, const ROMol &core, const std::vector< MatchVectType > &matches)
RDKIT_SUBSTRUCTMATCH_EXPORT std::vector< MatchVectType >	RDKit::sortMatchesByDegreeOfCoreSubstitution (const ROMol &mol, const ROMol &core, const std::vector< MatchVectType > &matches)
RDKIT_SUBSTRUCTMATCH_EXPORT bool	RDKit::isAtomTerminalRGroupOrQueryHydrogen (const Atom *atom)