RDCode: QueryOps.h File Reference

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# QueryOps.h File Reference

`#include <GraphMol/RDKitBase.h>`
`#include <Query/QueryObjects.h>`

Go to the source code of this file.

## Namespaces
namespace | RDKit
## Classes
class | RDKit::AtomRingQuery
class | RDKit::RecursiveStructureQuery
| allows use of recursive structure queries (e.g. recursive SMARTS) More...
## 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
## 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::queryAtomHeavyAtomDegree (Atom const *at)
static int | RDKit::queryAtomHCount (Atom const *at)
static int | RDKit::queryAtomImplicitValence (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::queryAtomMass (Atom const *at)
static int | RDKit::queryAtomFormalCharge (Atom const *at)
static int | RDKit::queryAtomHybridization (Atom const *at)
unsigned int | RDKit::queryAtomBondProduct (Atom const *at)
unsigned int | RDKit::queryAtomAllBondProduct (Atom const *at)
static int | RDKit::queryBondOrder (Bond const *bond)
static int | RDKit::queryBondDir (Bond const *bond)
static int | RDKit::queryIsBondInNRings (Bond const *at)
static int | RDKit::queryIsAtomInNRings (Atom const *at)
static int | RDKit::queryIsAtomInRing (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)
ATOM_EQUALS_QUERY * | RDKit::makeAtomNumEqualsQuery (int what)
| returns a Query for matching atomic number
ATOM_EQUALS_QUERY * | RDKit::makeAtomImplicitValenceQuery (int what)
| returns a Query for matching implicit valence
ATOM_EQUALS_QUERY * | RDKit::makeAtomTotalValenceQuery (int what)
| returns a Query for matching total valence
ATOM_EQUALS_QUERY * | RDKit::makeAtomExplicitDegreeQuery (int what)
| returns a Query for matching explicit valence
ATOM_EQUALS_QUERY * | RDKit::makeAtomTotalDegreeQuery (int what)
| returns a Query for matching atomic degree
ATOM_EQUALS_QUERY * | RDKit::makeAtomHCountQuery (int what)
| returns a Query for matching hydrogen count
ATOM_EQUALS_QUERY * | RDKit::makeAtomAromaticQuery ()
| returns a Query for matching the `isAromatic` flag
ATOM_EQUALS_QUERY * | RDKit::makeAtomAliphaticQuery ()
| returns a Query for matching aliphatic atoms
ATOM_EQUALS_QUERY * | RDKit::makeAtomMassQuery (int what)
| returns a Query for matching atoms with a particular mass (for isotopes)
ATOM_EQUALS_QUERY * | RDKit::makeAtomFormalChargeQuery (int what)
| returns a Query for matching formal charge
ATOM_EQUALS_QUERY * | RDKit::makeAtomHybridizationQuery (int what)
| returns a Query for matching hybridization
ATOM_EQUALS_QUERY * | RDKit::makeAtomUnsaturatedQuery ()
| returns a Query for matching atoms with unsaturation:
ATOM_EQUALS_QUERY * | RDKit::makeAtomInRingQuery ()
| returns a Query for matching ring atoms
ATOM_EQUALS_QUERY * | RDKit::makeAtomInNRingsQuery (int what)
| returns a Query for matching atoms in a particular number of rings
ATOM_EQUALS_QUERY * | RDKit::makeAtomInRingOfSizeQuery (int tgt)
| returns a Query for matching atoms in rings of a particular size
ATOM_EQUALS_QUERY * | RDKit::makeAtomMinRingSizeQuery (int tgt)
| returns a Query for matching an atom's minimum ring size
ATOM_EQUALS_QUERY * | RDKit::makeAtomRingBondCountQuery (int what)
| returns a Query for matching atoms with a particular number of ring bonds
BOND_EQUALS_QUERY * | RDKit::makeBondOrderEqualsQuery (Bond::BondType what)
| returns a Query for matching bond orders
BOND_EQUALS_QUERY * | RDKit::makeBondDirEqualsQuery (Bond::BondDir what)
| returns a Query for matching bond directions
BOND_EQUALS_QUERY * | RDKit::makeBondIsInRingQuery ()
| returns a Query for matching ring bonds
BOND_EQUALS_QUERY * | RDKit::makeBondInRingOfSizeQuery (int what)
| returns a Query for matching bonds in rings of a particular size
BOND_EQUALS_QUERY * | RDKit::makeBondMinRingSizeQuery (int what)
| returns a Query for matching a bond's minimum ring size
BOND_EQUALS_QUERY * | RDKit::makeBondInNRingsQuery (int tgt)
| returns a Query for matching bonds in a particular number of rings
BOND_NULL_QUERY * | RDKit::makeBondNullQuery ()
| returns a Query for matching any bond
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 arg)
template<typename T>
bool | RDKit::nullQueryFun (T arg)

## Detailed Description

Definition in file QueryOps.h.