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
Residue Data Functors section
The following methods are publicly inherited from OEUnaryPredicate:
The following methods are publicly inherited from OEUnaryFunction:
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.