OEHasResidueInteractionHint

class OEHasResidueInteractionHint : public OESystem::OEUnaryPredicate<OEInteractionHint>

This class represents OEHasResidueInteractionHint functor that identifies connections (OEInteractionHint) with a specific residue (OEResidue).

Code Examples

• Perceive and Print Protein-Ligand Interactions OEChem TK example

• Accessing Interaction Hint Information OpenEye Python Cookbook recipe

Constructors

OEHasResidueInteractionHint(const OEChem::OEResidue &res)

Constructs the functor with the given residue.

OEHasResidueInteractionHint(const OEChem::OEResidue &res,
                            const OEInteractionHintComponentTypeBase &ctype)

Constructs the functor with the given residue and component type.

OEHasResidueInteractionHint(const OEHasResidueInteractionHint &rhs)

Copy constructor.

operator=

OEHasResidueInteractionHint &operator=(const OEHasResidueInteractionHint &rhs)

Assignment operator.

operator()

bool operator()(const OEInteractionHint &i) const

Returns true, if the residue with which the functor is constructed identifies any atom stored in the given interaction. If a component type is defined at construction than that is also checked.

See also

The following built-in component types are available:

• OELigandInteractionHintComponent

• OEProteinInteractionHintComponent

CreateCopy

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

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