OEIsHBondInteractionHint

class OEIsHBondInteractionHint : public OESystem::OEUnaryPredicate<OEInteractionHint>

This class represents OEIsHBondInteractionHint functor that identifies hydrogen bonding interactions.

See also

Constructors

OEIsHBondInteractionHint(includeIntra: bool = True,
                         includeNonIdeal: bool = True) -> OEIsHBondInteractionHint
OEIsHBondInteractionHint(arg2: OEIsHBondInteractionHint) -> OEIsHBondInteractionHint

Constructor.

param includeIntra:

If true (default), intramolecular hydrogen bond interactions are included in the results.

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 type. Clashing hydrogen bond interactions (OEHBondInteractionHintType_ClashAcceptorAcceptor, OEHBondInteractionHintType_ClashDonorDonor) and unpaired interactions (OEHBondInteractionHintType_UnpairedLigandDonor, OEHBondInteractionHintType_UnpairedLigandAcceptor, OEHBondInteractionHintType_UnpairedProteinDonor, OEHBondInteractionHintType_UnpairedProteinAcceptor) are not included. Use OEIsClashingHBondInteractionHint and OEIsUnpairedInteractionHint to retrieve those interaction types.

CreateCopy

CreateCopy() -> OEUnaryInteractionHintBoolFunc

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