OEIsBackboneAtom

class OEIsBackboneAtom : public OESystem::OEUnaryPredicate<OEChem::OEAtomBase>

This class represents OEIsBackboneAtom functor that identifies atoms (OEAtomBase) that are part of a macro-molecule backbone.

See also

The following methods are publicly inherited from OEUnaryPredicate:

operator()

CreateCopy

CreatePredicateCopy

The following methods are publicly inherited from OEUnaryFunction:

operator()

CreateCopy

Constructors

OEIsBackboneAtom(bool considercarbonyl=true, bool considerterminaloxygen=false)

Default constructor.

considercarbonyl

Determines whether to consider the carbonyl oxygen as a backbone atom.

considerterminaloxygen

Determines whether to consider the terminal oxygen (OXT) as a backbone atom.

operator()

bool operator()(const OEChem::OEAtomBase &atom) const

CreateCopy

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

Deep copy constructor that returns a copy of the object. The memory for the returned OEIsBackboneAtom 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.