OEIsIntramolecularHBondInteractionHint

class OEIsIntramolecularHBondInteractionHint : public OESystem::OEUnaryPredicate<OEInteractionHint>

This class represents OEIsIntramolecularHBondInteractionHint functor that identifies hydrogen bonding interactions between two atoms in the same molecule.

See also

• OEHBondInteractionHint class

• OEHBondInteractionHintType namespace

• OEInteractionHint class

• OEIsHBondInteractionHint predicate

• OEIsIntermolecularHBondInteractionHint predicate

• OEIsUnpairedInteractionHint predicate

Constructors

OEIsIntramolecularHBondInteractionHint(bool includeNonIdeal = true)

Constructor.

param includeNonIdeal:

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

operator=

OEIsIntramolecularHBondInteractionHint & operator=(const OEIsIntramolecularHBondInteractionHint &)

Assignment operator.

operator()

bool operator()(const OEInteractionHint& c) const

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

• OEHBondInteractionHintType::IntramolecularLigand

• OEHBondInteractionHintType::IntramolecularProtein

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

• OEHBondInteractionHintType::NonIdealProteinAccepts

• OEHBondInteractionHintType::NonIdealProteinDonates

• OEHBondInteractionHintType::NonIdealLigandDonates

• OEHBondInteractionHintType::NonIdealLigandAccepts

Unpaired interactions are not included. Use OEIsUnpairedInteractionHint to retrieve unpaired hydrogen bond donors and acceptors.

CreateCopy

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

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