template<class Arg> class OEMatchFunc : public OESystem::OEUnaryPredicate<Arg>
The following methods are publicly inherited from OEUnaryPredicate:
The following methods are publicly inherited from OEUnaryFunction:
The following specializations exist for this template:
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
OEExprOpts namespace. The expression
options are used to convert the atom and bond data into
expression trees which are used during the subgraph search.
bool operator()(const Arg &arg) const
true if the ‘arg’ object matched by the query molecule
defined in construction.
true, if the substructure search object was initialized
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.
The returned copy should be deallocated using C++ delete operator in order to prevent a memory leak.