OEQAtomBase¶
class OEQAtomBase : public OEAtomBase , public OEQBase
The OEQAtomBase class is the abstract interface
for representing atoms and atom expressions within OpenEye’s Toolkits.
For a description of query expressions and their utility in graph
matching refer to the OEExprOpts Namespace section.
An OEQAtomBase object is created by calling the
OEMolBase.NewAtom method on the parent molecule.
The following methods are publicly inherited from OEAtomBase:
The following methods are publicly inherited from OEQBase:
The following methods are publicly inherited from OEBase:
GetParentAtom¶
OEAtomBase *GetParentAtom() const =0
GetQAtoms¶
OESystem::OEIterBase<OEQAtomBase> *GetQAtoms() const =0
Returns an iterator over the neighboring query atoms of this atom.
The returned iterator traverses
only the explicit atoms that are bonded to the
OEQAtomBase. The number of neighbors in the
iterator is identical to
OEAtomBase.GetExplicitDegree.
OESystem::OEIterBase<OEQAtomBase> *
GetQAtoms(const OESystem::OEUnaryPredicate<OEChem::OEAtomBase> &) const =0
Returns an iterator over the neighboring query atoms of the OEQAtomBase that match
the predicate (OEUnaryPredicate)
GetQBonds¶
OESystem::OEIterBase<OEQBondBase> *GetQBonds() const =0
Returns an iterator over the query bonds connected to the atom.
The returned iterator traverses only the explicit bonds that are
attached to the OEQAtomBase. The number of bonds
in the iterator is identical to
OEAtomBase.GetExplicitDegree.
OESystem::OEIterBase<OEQBondBase> *
GetQBonds(const OESystem::OEUnaryPredicate<OEChem::OEBondBase> &) const =0
Returns an iterator over the query bonds of the OEQAtomBase that match
the predicate (OEUnaryPredicate)
IsDataType¶
bool IsDataType(const void *) const