OEIsIntermolecularHalogenBondInteractionHint

class OEIsIntermolecularHalogenBondInteractionHint : public OESystem::OEUnaryPredicate<OEInteractionHint>

This class represents OEIsIntermolecularHalogenBondInteractionHint functor that identifies halogen bond interactions between atoms in different molecules (i.e. between the ligand and the protein).

See also

• OEHalogenBondInteractionHint class

• OEHalogenBondInteractionHintType namespace

• OEInteractionHint class

• OEIsHalogenBondInteractionHint predicate

• OEIsIntramolecularHalogenBondInteractionHint predicate

Constructors

OEIsIntermolecularHalogenBondInteractionHint() -> OEIsIntermolecularHalogenBondInteractionHint
OEIsIntermolecularHalogenBondInteractionHint(arg2: OEIsIntermolecularHalogenBondInteractionHint) -> OEIsIntermolecularHalogenBondInteractionHint

Default constructor.

operator()

__call__(i: OEInteractionHint) -> bool

Returns true, if the given interaction has an intermolecular halogen bond type i.e. the OEInteractionHint.GetInteractionType method returns an OEHalogenBondInteractionHint with one of the following types:

• OEHalogenBondInteractionHintType_LigandElectrophile

• OEHalogenBondInteractionHintType_LigandNucleophile

• OEHalogenBondInteractionHintType_ProteinElectrophile

• OEHalogenBondInteractionHintType_ProteinNucleophile

CreateCopy

CreateCopy() -> OEUnaryInteractionHintBoolFunc

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