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(arg2: OEResidue) -> OEHasResidueInteractionHint

Constructs the functor with the given residue.

OEHasResidueInteractionHint(arg2: OEResidue,
                            ctype: OEInteractionHintComponentTypeBase) -> OEHasResidueInteractionHint

Constructs the functor with the given residue and component type.

OEHasResidueInteractionHint(rhs: OEHasResidueInteractionHint) -> OEHasResidueInteractionHint

Copy constructor.

operator()

__call__(i: OEInteractionHint) -> bool

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.

CreateCopy

CreateCopy() -> OEUnaryInteractionHintBoolFunc

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.