OENthAtom¶
class OENthAtom : public OESystem::OEUnaryPredicate<OEChem::OEAtomBase>
This class represents OENthAtom functor that identifies the Nth atom (OEAtomBase) is the molecule.
The following methods are publicly inherited from OEUnaryPredicate:
The following methods are publicly inherited from OEUnaryFunction:
Constructors¶
OENthAtom(unsigned int n, unsigned int start=0)
Constructs the functor with the Nth atom specified by ‘n’ and the starting atom specified by ‘start’.
operator()¶
bool operator()(const OEAtomBase &atom) const
Returns true, if iteration over the atoms in the molecule makes
the ‘atom’ the Nth atom in the molecule starting with the first
atom being the ‘start’ atom.
CreateCopy¶
OESystem::OEUnaryFunction<OEChem::OEAtomBase , bool> *CreateCopy() const
Deep copy constructor that returns a copy of the object. The memory for the returned OENthAtom 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.