OEIsIntermolecularHBondInteractionHint

class OEIsIntermolecularHBondInteractionHint : public OESystem::OEUnaryPredicate<OEInteractionHint>

This class represents OEIsIntermolecularHBondInteractionHint functor that identifies hydrogen bonding interactions between two atom in different molecules.

See also

• OEHBondInteractionHint class

• OEHBondInteractionHintType namespace

• OEInteractionHint class

• OEIsHBondInteractionHint predicate

• OEIsIntramolecularHBondInteractionHint predicate

• OEIsClashingHBondInteractionHint predicate

Constructors

OEIsIntermolecularHBondInteractionHint(includeNonIdeal: bool = True) -> OEIsIntermolecularHBondInteractionHint
OEIsIntermolecularHBondInteractionHint(arg2: OEIsIntermolecularHBondInteractionHint) -> OEIsIntermolecularHBondInteractionHint

Constructor.

param includeNonIdeal:

If true (default), non-ideal hydrogen bond interactions (long donor-acceptor distances or poor geometries) are included in the results.

operator()

__call__(c: OEInteractionHint) -> bool

Returns true, if the given interaction has a hydrogen bonding type i.e. the OEInteractionHint.GetInteractionType method returns an OEHBondInteractionHint with the following types:

• OEHBondInteractionHintType_LigandAccepts

• OEHBondInteractionHintType_LigandDonates

When includeNonIdeal is true (default), the following types are also included:

• OEHBondInteractionHintType_NonIdealLigandAccepts

• OEHBondInteractionHintType_NonIdealLigandDonates

Clashing interactions (OEHBondInteractionHintType_ClashAcceptorAcceptor, OEHBondInteractionHintType_ClashDonorDonor) are not included. Use OEIsClashingHBondInteractionHint for those.

CreateCopy

CreateCopy() -> OEUnaryInteractionHintBoolFunc

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