OEStackingInteractionHint¶
class OEStackingInteractionHint : public OEInteractionHintTypeBase
The OEStackingInteractionHint
class represents
a built-in type that identifies interactions stored in an
OEInteractionHintContainer
object as
intermolecular Pi or T stacking interactions.
See also
OEStackingInteractionHintType
namespace for specific stacking interaction typesOEIsStackingInteractionHint
predicateOEInteractionHint
class
To perceive stacking interactions:
The following methods are publicly inherited from OEInteractionHintTypeBase
:
Constructors¶
OEStackingInteractionHint(unsigned int type)
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(const OEStackingInteractionHint &rhs)
Copy constructor.
operator=¶
OEStackingInteractionHint &operator=(const OEStackingInteractionHint &rhs)
Assignment operator.
CreateCopy¶
OEInteractionHintTypeBase *CreateCopy() const
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¶
bool IsValid(const OEInteractionHintFragment *,
const OEInteractionHintFragment *) const
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.