OEIsClashingHBondInteractionHint

class OEIsClashingHBondInteractionHint : public OESystem::OEUnaryPredicate<OEInteractionHint>

This class represents OEIsClashingHBondInteractionHint functor that identifies clashing hydrogen bond interactions, i.e. geometrically unfavorable interactions between two acceptors or two donors that cannot form a proper hydrogen bond.

See also

• OEHBondInteractionHint class

• OEHBondInteractionHintType namespace

• OEInteractionHint class

• OEIsHBondInteractionHint predicate

• OEIsNonIdealHBondInteractionHint predicate

• OEIsUnpairedInteractionHint predicate

Constructors

OEIsClashingHBondInteractionHint()

Default constructor.

operator=

OEIsClashingHBondInteractionHint & operator=(const OEIsClashingHBondInteractionHint &)

Assignment operator.

operator()

bool operator()(const OEInteractionHint& c) const

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

• OEHBondInteractionHintType::ClashAcceptorAcceptor

• OEHBondInteractionHintType::ClashDonorDonor

CreateCopy

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

Deep copy constructor that returns a copy of the object. The memory for the returned OEIsClashingHBondInteractionHint 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.