OEHasInteractionHint

class OEHasInteractionHint : public OESystem::OEUnaryPredicate<OEInteractionHint>

This class represents OEHasInteractionHint functor that identifies interactions (OEInteractionHint) with a specific atom (OEAtomBase).

Code Examples

• Perceive and Print Protein-Ligand Interactions OEChem TK example

• Accessing Interaction Hint Information OpenEye Python Cookbook recipe

Constructors

OEHasInteractionHint(const OEChem::OEAtomBase *atom)

Constructs the functor with the given atom.

OEHasInteractionHint(const OEHasInteractionHint &rhs)

Copy constructor.

operator=

OEHasInteractionHint &operator=(const OEHasInteractionHint &rhs)

Assignment operator.

operator()

bool operator()(const OEInteractionHint &i) const

Returns true, if the atom with which the functor is constructed is stored in the given interaction.

CreateCopy

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

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