OEMatchFunc

template<class Arg>
class OEMatchFunc : public OESystem::OEUnaryPredicate<Arg>

This class represents OEMatchFunc template functor that identifies objects (OEAtomBase, OEBondBase) that match a query substructure specified in construction.

The following methods are publicly inherited from OEUnaryPredicate:

operator() CreateCopy CreatePredicateCopy

The following methods are publicly inherited from OEUnaryFunction:

operator() CreateCopy  

The following specializations exist for this template:

Specialized Functor Definition
OEMatchAtom OEMatchFunc <OEAtomBase>
OEMatchGraphMol OEMatchFunc <OEGraphMol>
OEMatchMolBase OEMatchFunc <OEMolBase>

Constructors

OEMatchFunc(const char *smarts)

Constructs the functor with the internal substructure search specified by the ‘smarts’ (SMARTS) pattern.

OEMatchFunc(const OEQMolBase &qmol)

Constructs the functor with the internal substructure search specified by the ‘qmol’ query molecule.

OEMatchFunc(const OEMolBase &mol, unsigned int aexpr, unsigned int bexpr)

Constructs the functor with the internal substructure search that is created from ‘mol’ using the specified expression options. The atom and bond expression options passed as the second and third arguments to the method are defined in the OEExprOpts namespace. The expression options are used to convert the atom and bond data into expression trees which are used during the subgraph search.

operator()

bool operator()(const Arg &arg) const

Returns true if the ‘arg’ object matched by the query molecule defined in construction.

operator bool

operator bool()

Returns true, if the substructure search object was initialized correctly.

CreateCopy

OESystem::OEUnaryFunction<Arg, bool> *CreateCopy() const

Deep copy constructor that returns a copy of the object. The memory for the returned OEMatchFunc object is dynamically allocated and owned by the caller.