QueryOps.h File Reference

#include <RDGeneral/export.h>
#include <GraphMol/RDKitBase.h>
#include <Query/QueryObjects.h>
#include <Query/Query.h>
#include <DataStructs/BitVects.h>
#include <DataStructs/BitOps.h>

Go to the source code of this file.

Classes
class	RDKit::AtomRingQuery
class	RDKit::RecursiveStructureQuery
	allows use of recursive structure queries (e.g. recursive SMARTS) More...
class	RDKit::HasPropQuery< TargetPtr >
class	RDKit::HasPropWithValueQuery< TargetPtr, T >
class	RDKit::HasPropWithValueQuery< TargetPtr, std::string >
class	RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::QueryOps

Typedefs
typedef Queries::Query< bool, Atom const *, true >	RDKit::ATOM_BOOL_QUERY
typedef Queries::Query< bool, Bond const *, true >	RDKit::BOND_BOOL_QUERY
typedef Queries::AndQuery< int, Atom const *, true >	RDKit::ATOM_AND_QUERY
typedef Queries::AndQuery< int, Bond const *, true >	RDKit::BOND_AND_QUERY
typedef Queries::OrQuery< int, Atom const *, true >	RDKit::ATOM_OR_QUERY
typedef Queries::OrQuery< int, Bond const *, true >	RDKit::BOND_OR_QUERY
typedef Queries::XOrQuery< int, Atom const *, true >	RDKit::ATOM_XOR_QUERY
typedef Queries::XOrQuery< int, Bond const *, true >	RDKit::BOND_XOR_QUERY
typedef Queries::EqualityQuery< int, Atom const *, true >	RDKit::ATOM_EQUALS_QUERY
typedef Queries::EqualityQuery< int, Bond const *, true >	RDKit::BOND_EQUALS_QUERY
typedef Queries::GreaterQuery< int, Atom const *, true >	RDKit::ATOM_GREATER_QUERY
typedef Queries::GreaterQuery< int, Bond const *, true >	RDKit::BOND_GREATER_QUERY
typedef Queries::GreaterEqualQuery< int, Atom const *, true >	RDKit::ATOM_GREATEREQUAL_QUERY
typedef Queries::GreaterEqualQuery< int, Bond const *, true >	RDKit::BOND_GREATEREQUAL_QUERY
typedef Queries::LessQuery< int, Atom const *, true >	RDKit::ATOM_LESS_QUERY
typedef Queries::LessQuery< int, Bond const *, true >	RDKit::BOND_LESS_QUERY
typedef Queries::LessEqualQuery< int, Atom const *, true >	RDKit::ATOM_LESSEQUAL_QUERY
typedef Queries::LessEqualQuery< int, Bond const *, true >	RDKit::BOND_LESSEQUAL_QUERY
typedef Queries::RangeQuery< int, Atom const *, true >	RDKit::ATOM_RANGE_QUERY
typedef Queries::RangeQuery< int, Bond const *, true >	RDKit::BOND_RANGE_QUERY
typedef Queries::SetQuery< int, Atom const *, true >	RDKit::ATOM_SET_QUERY
typedef Queries::SetQuery< int, Bond const *, true >	RDKit::BOND_SET_QUERY
typedef Queries::Query< int, Bond const *, true >	RDKit::BOND_NULL_QUERY
typedef Queries::Query< int, Atom const *, true >	RDKit::ATOM_NULL_QUERY
typedef Atom const *	RDKit::ConstAtomPtr
typedef Bond const *	RDKit::ConstBondPtr
typedef Queries::EqualityQuery< int, Atom const *, true >	RDKit::ATOM_PROP_QUERY
typedef Queries::EqualityQuery< int, Bond const *, true >	RDKit::BOND_PROP_QUERY

Functions
static int	RDKit::queryAtomAromatic (Atom const *at)
static int	RDKit::queryAtomAliphatic (Atom const *at)
static int	RDKit::queryAtomExplicitDegree (Atom const *at)
static int	RDKit::queryAtomTotalDegree (Atom const *at)
static int	RDKit::queryAtomNonHydrogenDegree (Atom const *at)
	D and T are treated as "non-hydrogen" here.
static int	RDKit::queryAtomHeavyAtomDegree (Atom const *at)
	D and T are not treated as heavy atoms here.
static int	RDKit::queryAtomHCount (Atom const *at)
static int	RDKit::queryAtomImplicitHCount (Atom const *at)
static int	RDKit::queryAtomHasImplicitH (Atom const *at)
static int	RDKit::queryAtomImplicitValence (Atom const *at)
static int	RDKit::queryAtomExplicitValence (Atom const *at)
static int	RDKit::queryAtomTotalValence (Atom const *at)
static int	RDKit::queryAtomUnsaturated (Atom const *at)
static int	RDKit::queryAtomNum (Atom const *at)
static int	RDKit::makeAtomType (int atomic_num, bool aromatic)
static void	RDKit::parseAtomType (int val, int &atomic_num, bool &aromatic)
static bool	RDKit::getAtomTypeIsAromatic (int val)
static int	RDKit::getAtomTypeAtomicNum (int val)
static int	RDKit::queryAtomType (Atom const *at)
static int	RDKit::queryAtomMass (Atom const *at)
static int	RDKit::queryAtomIsotope (Atom const *at)
static int	RDKit::queryAtomFormalCharge (Atom const *at)
static int	RDKit::queryAtomNegativeFormalCharge (Atom const *at)
static int	RDKit::queryAtomHybridization (Atom const *at)
static int	RDKit::queryAtomNumRadicalElectrons (Atom const *at)
static int	RDKit::queryAtomHasChiralTag (Atom const *at)
static int	RDKit::queryAtomMissingChiralTag (Atom const *at)
static int	RDKit::queryAtomHasHeteroatomNbrs (Atom const *at)
static int	RDKit::queryAtomNumHeteroatomNbrs (Atom const *at)
static int	RDKit::queryAtomHasAliphaticHeteroatomNbrs (Atom const *at)
static int	RDKit::queryAtomNumAliphaticHeteroatomNbrs (Atom const *at)
RDKIT_GRAPHMOL_EXPORT unsigned int	RDKit::queryAtomBondProduct (Atom const *at)
RDKIT_GRAPHMOL_EXPORT unsigned int	RDKit::queryAtomAllBondProduct (Atom const *at)
static int	RDKit::queryBondOrder (Bond const *bond)
static int	RDKit::queryBondIsSingleOrAromatic (Bond const *bond)
static int	RDKit::queryBondIsDoubleOrAromatic (Bond const *bond)
static int	RDKit::queryBondIsSingleOrDouble (Bond const *bond)
static int	RDKit::queryBondIsSingleOrDoubleOrAromatic (Bond const *bond)
static int	RDKit::queryBondDir (Bond const *bond)
static int	RDKit::queryIsBondInNRings (Bond const *at)
static int	RDKit::queryBondHasStereo (Bond const *bnd)
static int	RDKit::queryIsAtomInNRings (Atom const *at)
static int	RDKit::queryIsAtomInRing (Atom const *at)
static int	RDKit::queryAtomHasRingBond (Atom const *at)
RDKIT_GRAPHMOL_EXPORT int	RDKit::queryIsAtomBridgehead (Atom const *at)
static int	RDKit::queryIsBondInRing (Bond const *bond)
static int	RDKit::queryAtomMinRingSize (Atom const *at)
static int	RDKit::queryBondMinRingSize (Bond const *bond)
static int	RDKit::queryAtomRingBondCount (Atom const *at)
template<int tgt>
int	RDKit::queryAtomIsInRingOfSize (Atom const *at)
template<int tgt>
int	RDKit::queryBondIsInRingOfSize (Bond const *bond)
template<class T >
T *	RDKit::makeAtomSimpleQuery (int what, int func(Atom const *), const std::string &description="Atom Simple")
static ATOM_RANGE_QUERY *	RDKit::makeAtomRangeQuery (int lower, int upper, bool lowerOpen, bool upperOpen, int func(Atom const *), const std::string &description="Atom Range")
template<class T >
T *	RDKit::makeAtomNumQuery (int what, const std::string &descr)
	returns a Query for matching atomic number
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomNumQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomTypeQuery (int num, int aromatic, const std::string &descr)
	returns a Query for matching atomic number and aromaticity
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomTypeQuery (int num, int aromatic)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomImplicitValenceQuery (int what, const std::string &descr)
	returns a Query for matching implicit valence
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomImplicitValenceQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomExplicitValenceQuery (int what, const std::string &descr)
	returns a Query for matching explicit valence
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomExplicitValenceQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomTotalValenceQuery (int what, const std::string &descr)
	returns a Query for matching total valence
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomTotalValenceQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomExplicitDegreeQuery (int what, const std::string &descr)
	returns a Query for matching explicit degree
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomExplicitDegreeQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomTotalDegreeQuery (int what, const std::string &descr)
	returns a Query for matching atomic degree
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomTotalDegreeQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomHeavyAtomDegreeQuery (int what, const std::string &descr)
	returns a Query for matching heavy atom degree
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomHeavyAtomDegreeQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomHCountQuery (int what, const std::string &descr)
	returns a Query for matching hydrogen count
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomHCountQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomHasImplicitHQuery (const std::string &descr)
	returns a Query for matching ring atoms
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomHasImplicitHQuery ()
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomImplicitHCountQuery (int what, const std::string &descr)
	returns a Query for matching implicit hydrogen count
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomImplicitHCountQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomAromaticQuery (const std::string &descr)
	returns a Query for matching the isAromatic flag
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomAromaticQuery ()
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomAliphaticQuery (const std::string &descr)
	returns a Query for matching aliphatic atoms
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomAliphaticQuery ()
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomMassQuery (int what, const std::string &descr)
	returns a Query for matching atoms with a particular mass
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomMassQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomIsotopeQuery (int what, const std::string &descr)
	returns a Query for matching atoms with a particular isotope
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomIsotopeQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomFormalChargeQuery (int what, const std::string &descr)
	returns a Query for matching formal charge
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomFormalChargeQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomNegativeFormalChargeQuery (int what, const std::string &descr)
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomNegativeFormalChargeQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomHybridizationQuery (int what, const std::string &descr)
	returns a Query for matching hybridization
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomHybridizationQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomNumRadicalElectronsQuery (int what, const std::string &descr)
	returns a Query for matching the number of radical electrons
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomNumRadicalElectronsQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomHasChiralTagQuery (const std::string &descr)
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomHasChiralTagQuery ()
	\overloadquery
template<class T >
T *	RDKit::makeAtomMissingChiralTagQuery (const std::string &descr)
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomMissingChiralTagQuery ()
	\overloadquery
template<class T >
T *	RDKit::makeAtomUnsaturatedQuery (const std::string &descr)
	returns a Query for matching atoms with unsaturation:
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomUnsaturatedQuery ()
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomInRingQuery (const std::string &descr)
	returns a Query for matching ring atoms
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomInRingQuery ()
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomInNRingsQuery (int what, const std::string &descr)
	returns a Query for matching atoms in a particular number of rings
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomInNRingsQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomInRingOfSizeQuery (int tgt)
	returns a Query for matching atoms in rings of a particular size
template<class T >
T *	RDKit::makeAtomMinRingSizeQuery (int tgt, const std::string &descr)
	returns a Query for matching an atom's minimum ring size
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomMinRingSizeQuery (int tgt)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomRingBondCountQuery (int what, const std::string &descr)
	returns a Query for matching atoms with a particular number of ring bonds
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomRingBondCountQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAAtomQuery ()
	returns a Query for matching generic A atoms (heavy atoms)
RDKIT_GRAPHMOL_EXPORT ATOM_NULL_QUERY *	RDKit::makeAHAtomQuery ()
	returns a Query for matching generic AH atoms (any atom)
RDKIT_GRAPHMOL_EXPORT ATOM_OR_QUERY *	RDKit::makeQAtomQuery ()
	returns a Query for matching generic Q atoms (heteroatoms)
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeQHAtomQuery ()
	returns a Query for matching generic QH atoms (heteroatom or H)
RDKIT_GRAPHMOL_EXPORT ATOM_OR_QUERY *	RDKit::makeXAtomQuery ()
	returns a Query for matching generic X atoms (halogens)
RDKIT_GRAPHMOL_EXPORT ATOM_OR_QUERY *	RDKit::makeXHAtomQuery ()
	returns a Query for matching generic XH atoms (halogen or H)
RDKIT_GRAPHMOL_EXPORT ATOM_OR_QUERY *	RDKit::makeMAtomQuery ()
	returns a Query for matching generic M atoms (metals)
RDKIT_GRAPHMOL_EXPORT ATOM_OR_QUERY *	RDKit::makeMHAtomQuery ()
	returns a Query for matching generic MH atoms (metals or H)
RDKIT_GRAPHMOL_EXPORT void	RDKit::convertComplexNameToQuery (Atom *query, std::string_view symb)
template<class T >
T *	RDKit::makeAtomHasRingBondQuery (const std::string &descr)
	returns a Query for matching atoms that have ring bonds
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomHasRingBondQuery ()
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomNumHeteroatomNbrsQuery (int what, const std::string &descr)
	returns a Query for matching the number of heteroatom neighbors
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomNumHeteroatomNbrsQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomHasHeteroatomNbrsQuery (const std::string &descr)
	returns a Query for matching atoms that have heteroatom neighbors
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomHasHeteroatomNbrsQuery ()
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomNumAliphaticHeteroatomNbrsQuery (int what, const std::string &descr)
	returns a Query for matching the number of aliphatic heteroatom neighbors
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomNumAliphaticHeteroatomNbrsQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomHasAliphaticHeteroatomNbrsQuery (const std::string &descr)
	returns a Query for matching atoms that have heteroatom neighbors
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomHasAliphaticHeteroatomNbrsQuery ()
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomNonHydrogenDegreeQuery (int what, const std::string &descr)
	returns a Query for matching the number of non-hydrogen neighbors
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomNonHydrogenDegreeQuery (int what)
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<class T >
T *	RDKit::makeAtomIsBridgeheadQuery (const std::string &descr)
	returns a Query for matching bridgehead atoms
RDKIT_GRAPHMOL_EXPORT ATOM_EQUALS_QUERY *	RDKit::makeAtomIsBridgeheadQuery ()
	This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeBondOrderEqualsQuery (Bond::BondType what)
	returns a Query for matching bond orders
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeSingleOrAromaticBondQuery ()
	returns a Query for unspecified SMARTS bonds
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeDoubleOrAromaticBondQuery ()
	returns a Query for double|aromatic bonds
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeSingleOrDoubleBondQuery ()
	returns a Query for single|double bonds
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeSingleOrDoubleOrAromaticBondQuery ()
	returns a Query for tautomeric bonds
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeBondDirEqualsQuery (Bond::BondDir what)
	returns a Query for matching bond directions
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeBondHasStereoQuery ()
	returns a Query for matching bonds with stereo set
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeBondIsInRingQuery ()
	returns a Query for matching ring bonds
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeBondInRingOfSizeQuery (int what)
	returns a Query for matching bonds in rings of a particular size
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeBondMinRingSizeQuery (int what)
	returns a Query for matching a bond's minimum ring size
RDKIT_GRAPHMOL_EXPORT BOND_EQUALS_QUERY *	RDKit::makeBondInNRingsQuery (int tgt)
	returns a Query for matching bonds in a particular number of rings
RDKIT_GRAPHMOL_EXPORT BOND_NULL_QUERY *	RDKit::makeBondNullQuery ()
	returns a Query for matching any bond
RDKIT_GRAPHMOL_EXPORT ATOM_NULL_QUERY *	RDKit::makeAtomNullQuery ()
	returns a Query for matching any atom
static int	RDKit::queryAtomRingMembership (Atom const *at)
template<typename T >
int	RDKit::nullDataFun (T)
template<typename T >
bool	RDKit::nullQueryFun (T)
template<class Target >
Queries::EqualityQuery< int, const Target *, true > *	RDKit::makeHasPropQuery (const std::string &property)
	returns a Query for matching atoms that have a particular property
template<class Target , class T >
Queries::EqualityQuery< int, const Target *, true > *	RDKit::makePropQuery (const std::string &propname, const T &val, const T &tolerance=T())
template<class Target >
Queries::EqualityQuery< int, const Target *, true > *	RDKit::makePropQuery (const std::string &propname, const ExplicitBitVect &val, float tolerance=0.0)
RDKIT_GRAPHMOL_EXPORT bool	RDKit::isComplexQuery (const Bond *b)
RDKIT_GRAPHMOL_EXPORT bool	RDKit::isComplexQuery (const Atom *a)
RDKIT_GRAPHMOL_EXPORT bool	RDKit::isAtomAromatic (const Atom *a)
RDKIT_GRAPHMOL_EXPORT bool	RDKit::isAtomListQuery (const Atom *a)
RDKIT_GRAPHMOL_EXPORT void	RDKit::getAtomListQueryVals (const Atom::QUERYATOM_QUERY *q, std::vector< int > &vals)
bool	RDKit::isAtomDummy (const Atom *a)
RDKIT_GRAPHMOL_EXPORT void	RDKit::QueryOps::completeMolQueries (RWMol *mol, unsigned int magicVal=0xDEADBEEF)
RDKIT_GRAPHMOL_EXPORT Atom *	RDKit::QueryOps::replaceAtomWithQueryAtom (RWMol *mol, Atom *atom)
RDKIT_GRAPHMOL_EXPORT void	RDKit::QueryOps::finalizeQueryFromDescription (Queries::Query< int, Atom const *, true > *query, Atom const *owner)
RDKIT_GRAPHMOL_EXPORT void	RDKit::QueryOps::finalizeQueryFromDescription (Queries::Query< int, Bond const *, true > *query, Bond const *owner)
RDKIT_GRAPHMOL_EXPORT bool	RDKit::QueryOps::hasBondTypeQuery (const Queries::Query< int, Bond const *, true > &qry)
bool	RDKit::QueryOps::hasBondTypeQuery (const Bond &bond)
RDKIT_GRAPHMOL_EXPORT bool	RDKit::QueryOps::hasComplexBondTypeQuery (const Queries::Query< int, Bond const *, true > &qry)
bool	RDKit::QueryOps::hasComplexBondTypeQuery (const Bond &bond)

Variables
const int	RDKit::massIntegerConversionFactor = 1000
const std::vector< std::string >	RDKit::complexQueries