OEContactInteractionHint

class OEContactInteractionHint : public OEInteractionHintTypeBase

The OEContactInteractionHint class represents a built-in type that identifies interactions stored in an OEInteractionHintContainer object as intermolecular contact interactions.

See also

• OEIsContactInteractionHint predicate

• OEInteractionHint class

• OEInteractionHintContainer class

To perceive contact interactions:

• OEPerceiveInteractionHints function

• OEPerceiveInteractionOptions class and its methods:

  • OEPerceiveInteractionOptions::SetMinContactFraction

  • OEPerceiveInteractionOptions::SetMaxContactFraction

The following methods are publicly inherited from OEInteractionHintTypeBase:

operator=	operator==	GetName
operator!=	CreateCopy	IsValid

Constructors

OEContactInteractionHint()

Default constructor.

OEContactInteractionHint(const OEContactInteractionHint &rhs)

Copy constructor.

operator=

OEContactInteractionHint &operator=(const OEContactInteractionHint &rhs)

Assignment operator.

CreateCopy

OEInteractionHintTypeBase *CreateCopy() const

Deep copy constructor that returns a copy of the object. The memory for the returned OEContactInteractionHint 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 contact 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.