OEContactInteractionHint

class OEContactInteractionHint : public OEInteractionHintTypeBase

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

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 inter-molecular interaction.