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(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.