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:

operator()

CreateCopy

CreatePredicateCopy

The following methods are publicly inherited from OEUnaryFunction:

operator()

CreateCopy

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.