OEIsAtomHybridization

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

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

See also

• OEAssignHybridization function

• OEHybridization namespace

Constructors

OEIsAtomHybridization(h: int) -> OEIsAtomHybridization

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

operator()

__call__(atom: OEAtomBase) -> bool

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

CreateCopy() -> OEIsAtomHybridization

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.