OEStackingInteractionHint

class OEStackingInteractionHint : public OEInteractionHintTypeBase

The OEStackingInteractionHint class represents a built-in type that identifies interactions stored in an OEInteractionHintContainer object as Pi or T stacking interactions (inter- and intramolecular).

See also

• OEStackingInteractionHintType namespace for specific stacking interaction types

• OEIsStackingInteractionHint predicate

• OEInteractionHint class

• OEInteractionHintContainer class

To perceive stacking interactions:

• OEPerceiveInteractionHints function

• OEPerceiveInteractionOptions class and its methods:

  • OEPerceiveInteractionOptions.SetMaxPiStackAngle

  • OEPerceiveInteractionOptions.SetMaxPiStackDistance

  • OEPerceiveInteractionOptions.SetMaxTStackAngle

  • OEPerceiveInteractionOptions.SetMaxTStackDistance

The following methods are publicly inherited from OEInteractionHintTypeBase:

operator=	operator==	GetName
operator!=	CreateCopy	IsValid

Constructors

OEStackingInteractionHint(type: int) -> OEStackingInteractionHint

Creates an OEStackingInteractionHint object with the given type.

type

This value has to be from the OEStackingInteractionHintType namespace.

Note

Two OEStackingInteractionHint objects with different types from the OEStackingInteractionHintType namespace are considered to be different.

OEStackingInteractionHint(rhs: OEStackingInteractionHint) -> OEStackingInteractionHint

Copy constructor.

CreateCopy

CreateCopy() -> OEInteractionHintTypeBase

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

IsValid

IsValid(arg2: OEInteractionHintFragment,
        arg3: OEInteractionHintFragment) -> bool

Evaluates whether the two given fragments would form a valid stacking interaction when added to an OEInteractionHintContainer object.

It checks that each fragment contains at least five atoms, and the fragments belong to different molecules i.e. it is an intermolecular interaction.