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 predicate

• OEInteractionHint class

• OEInteractionHintContainer class

To perceive clash interactions:

• OEPerceiveInteractionHints function

• OEPerceiveInteractionOptions class and its OEPerceiveInteractionOptions::SetMinContactFraction method

The following methods are publicly inherited from OEInteractionHintTypeBase:

operator=	operator==	GetName
operator!=	CreateCopy	IsValid

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.

The returned copy should be deallocated using C++ delete operator in order to prevent a memory leak.

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.