OEInteractionHintFragment

class OEInteractionHintFragment : public OESystem::OEBase

The OEInteractionHintFragment class is a container that holds atom pointers of a molecule of a OEInteractionHintContainer object.

../../_images/interactionhint.svg — **Schematic representation of interaction hint container**

See also

OEInteractionHintContainer class
OEInteractionHint class

Code Examples

Perceive and Print Protein-Ligand Interactions OEChem TK example
Depicting Active Site Interactions Grapheme TK example
Accessing Interaction Hint Information OpenEye Python Cookbook recipe

Constructors

OEInteractionHintFragment(rhs: OEInteractionHintFragment) -> OEInteractionHintFragment

Creates an OEInteractionHintFragment object that belongs to the given container and stores the atoms of the given molecule.

OEInteractionHintFragment(rhs: OEInteractionHintFragment) -> OEInteractionHintFragment

Copy constructor.

AddAtom

AddAtom(arg2: OEAtomBase) -> bool

Adds an atom to the OEInteractionHintFragment object. Returns true if the atom was successfully added to the OEInteractionHintFragment object.

CreateCopy

CreateCopy() -> OEBase

Deep copy constructor that returns a copy of the object. The memory for the returned OEInteractionHintFragment object is dynamically allocated and owned by the caller.

GetAtom

GetAtom(arg2: OEUnaryAtomPred) -> OEAtomBase

Retrieves the first atom of a fragment that matches the specified atom predicate (OEUnaryPredicate). If the fragment does not contain an atom that matches, a null pointer is returned.

GetAtoms

GetAtoms() -> Iterable[OEAtomBase]

Returns an iterator over all the atoms of the fragment.

GetAtoms(arg2: OEUnaryAtomPred) -> Iterable[OEAtomBase]

Returns an iterator over all of the atoms of the fragment that match the specified atom predicate (OEUnaryPredicate).

GetComponentType

GetComponentType() -> OEInteractionHintComponentTypeBase

Returns the type of the fragment i.e. the type of the molecule the fragment belongs to.

See also

The following built-in component types are available:

GetDataType

GetDataType() -> void

This function is used to perform run-time type identification.

See also

OEBase.GetDataType method in the OEChem TK manual

HasAtom

HasAtom(arg2: OEAtomBase) -> bool

Returns whether the given atom is already stored in the OEInteractionHintFragment object.

IsDataType

IsDataType(arg2: void) -> bool

Returns whether a type is the same as the instance this method is called on.

See also

OEBase.IsDataType method in the OEChem TK manual

NumAtoms

NumAtoms() -> int

Returns the number of atoms of the fragment.