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(bool includeNonIdeal = true)

Constructor.

param includeNonIdeal:

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

operator()

bool operator()(const OEInteractionHint& c) const

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

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

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.