OEIsAtomHybridization¶

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

This class represents OEIsAtomHybridization functor that identifies atoms with the given hybridization.

Constructors¶

OEIsAtomHybridization(unsigned int hyb)

Default constructors that creates an OEIsAtomHybridization functor with the given hybridization.

operator()¶

bool operator()(const OEAtomBase &atom) const

Returns true, if the OEAtomBase::GetHyb method returns the same hybridization with which the OEIsAtomHybridization object was initialized.

Warning

Prior to using the OEIsAtomHybridization functor, the hybridization of a molecule should be perceived by calling the OEAssignHybridization function. Otherwise the OEGetHybridization function is called every time to perceive the hybridization of the atom on the fly.

CreateCopy¶

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

Deep copy constructor that returns a copy of the object. The memory for the returned OEIsAtomHybridization object is dynamically allocated and owned by the caller.