RDKit::QueryOps Namespace Reference

Functions
RDKIT_GRAPHMOL_EXPORT void	completeMolQueries (RWMol *mol, unsigned int magicVal=0xDEADBEEF)
RDKIT_GRAPHMOL_EXPORT Atom *	replaceAtomWithQueryAtom (RWMol *mol, Atom *atom)
RDKIT_GRAPHMOL_EXPORT void	finalizeQueryFromDescription (Queries::Query< int, Atom const *, true > *query, Atom const *owner)
RDKIT_GRAPHMOL_EXPORT void	finalizeQueryFromDescription (Queries::Query< int, Bond const *, true > *query, Bond const *owner)
RDKIT_GRAPHMOL_EXPORT bool	hasBondTypeQuery (const Queries::Query< int, Bond const *, true > &qry)
bool	hasBondTypeQuery (const Bond &bond)
RDKIT_GRAPHMOL_EXPORT bool	hasComplexBondTypeQuery (const Queries::Query< int, Bond const *, true > &qry)
bool	hasComplexBondTypeQuery (const Bond &bond)
RDKIT_GRAPHMOL_EXPORT bool	isMetal (const Atom &atom)

Function Documentation

completeMolQueries()

RDKIT_GRAPHMOL_EXPORT void RDKit::QueryOps::completeMolQueries	(	RWMol *	mol,
		unsigned int	magicVal = 0xDEADBEEF )

References RDKIT_GRAPHMOL_EXPORT.

finalizeQueryFromDescription() [1/2]

RDKIT_GRAPHMOL_EXPORT void RDKit::QueryOps::finalizeQueryFromDescription	(	Queries::Query< int, Atom const *, true > *	query,
		Atom const *	owner )

References RDKIT_GRAPHMOL_EXPORT.

finalizeQueryFromDescription() [2/2]

RDKIT_GRAPHMOL_EXPORT void RDKit::QueryOps::finalizeQueryFromDescription	(	Queries::Query< int, Bond const *, true > *	query,
		Bond const *	owner )

References RDKIT_GRAPHMOL_EXPORT.

hasBondTypeQuery() [1/2]

bool RDKit::QueryOps::hasBondTypeQuery ( const Bond & bond )

inline

Definition at line 1146 of file QueryOps.h.

References RDKit::Bond::getQuery(), hasBondTypeQuery(), and RDKit::Bond::hasQuery().

hasBondTypeQuery() [2/2]

RDKIT_GRAPHMOL_EXPORT bool RDKit::QueryOps::hasBondTypeQuery

(

const Queries::Query< int, Bond const *, true > &

qry

)

References RDKIT_GRAPHMOL_EXPORT.

Referenced by hasBondTypeQuery().

hasComplexBondTypeQuery() [1/2]

bool RDKit::QueryOps::hasComplexBondTypeQuery ( const Bond & bond )

inline

Definition at line 1154 of file QueryOps.h.

References RDKit::Bond::getQuery(), hasComplexBondTypeQuery(), and RDKit::Bond::hasQuery().

hasComplexBondTypeQuery() [2/2]

RDKIT_GRAPHMOL_EXPORT bool RDKit::QueryOps::hasComplexBondTypeQuery

(

const Queries::Query< int, Bond const *, true > &

qry

)

References RDKIT_GRAPHMOL_EXPORT.

Referenced by hasComplexBondTypeQuery().

isMetal()

RDKIT_GRAPHMOL_EXPORT bool RDKit::QueryOps::isMetal

(

const Atom &

atom

)

References RDKIT_GRAPHMOL_EXPORT.

replaceAtomWithQueryAtom()

RDKIT_GRAPHMOL_EXPORT Atom * RDKit::QueryOps::replaceAtomWithQueryAtom	(	RWMol *	mol,
		Atom *	atom )

References RDKIT_GRAPHMOL_EXPORT.