OEIsModeledAtom¶

Attention

This API is currently available in C++ and Python.

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

This predicate is used to identify atoms that have been built using Spruce TK either by capping terminal residues, building out partial residues, or by mutating a residue. Otherwise it returns false.

The following methods are publicly inherited from OEUnaryPredicate:

operator()

CreateCopy

CreatePredicateCopy

The following methods are publicly inherited from OEUnaryFunction:

operator()

CreateCopy

Constructors¶

OEIsModeledAtom()

Default constructor.

operator()¶

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

Returns true if the atom has been built using Spruce TK either by capping terminal residues, building out partial residues, or by mutating a residue.

CreateCopy¶

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

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