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()

Default constructor.

operator=

OEIsIntermolecularHalogenBondInteractionHint & operator=(const OEIsIntermolecularHalogenBondInteractionHint &)

Assignment operator.

operator()

bool operator()(const OEInteractionHint& i) const

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

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

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.

The returned copy should be deallocated using C++ delete operator in order to prevent a memory leak.