OEClashInteractionHint¶
class OEClashInteractionHint : public OEInteractionHintTypeBase
The OEClashInteractionHint
class represents
a built-in type that identifies interactions stored in an
OEInteractionHintContainer
object as intermolecular
clash interactions.
See also
OEIsClashInteractionHint
predicateOEInteractionHint
class
To perceive clash interactions:
OEPerceiveInteractionHints
functionOEPerceiveInteractionOptions
class and itsOEPerceiveInteractionOptions.SetMinContactFraction
method
The following methods are publicly inherited from OEInteractionHintTypeBase
:
Constructors¶
OEClashInteractionHint()
Default constructor.
OEClashInteractionHint(const OEClashInteractionHint &rhs)
Copy constructor.
operator=¶
OEClashInteractionHint &operator=(const OEClashInteractionHint &rhs)
Assignment operator.
CreateCopy¶
OEInteractionHintTypeBase *CreateCopy() const
Deep copy constructor that returns a copy of the object.
The memory for the returned OEClashInteractionHint
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
clash interaction when added to an
OEInteractionHintContainer
object.
It checks that each fragment contains exactly one atom, and the fragments belong to different molecules i.e. it is an intermolecular interaction.