OEInteractionHintTypeBase

class OEInteractionHintTypeBase

The OEInteractionHintTypeBase is an abstract class that enables to type interactions (OEInteractionHint) stored in a OEInteractionHintContainer object.

The following classes derive from this class:

• OECationPiInteractionHint

• OEChelatorInteractionHint

• OEClashInteractionHint

• OEContactInteractionHint

• OECovalentInteractionHint

• OEHalogenBondInteractionHint

• OEHBondInteractionHint

• OESaltBridgeInteractionHint

• OEStackingInteractionHint

Constructors

OEInteractionHintTypeBase(const std::string &name)

Creates an interaction type with the given name (identifier).

name

A unique string representing a specific interaction type.

OEInteractionHintTypeBase(const OEInteractionHintTypeBase &rhs)

Copy constructor.

operator=

OEInteractionHintTypeBase &operator=(const OEInteractionHintTypeBase &rhs)

Assignment operator.

operator!=

bool operator!=(const OEInteractionHintTypeBase &) const

Determines whether two interaction types, derived from the OEInteractionHintTypeBase class, are different.

operator==

bool operator==(const OEInteractionHintTypeBase &) const

Determines whether two interaction types, derived from the OEInteractionHintTypeBase class, are identical.

CreateCopy

OEInteractionHintTypeBase *CreateCopy() const =0

Virtual const constructor which allows copying of concrete derived objects using a reference to this base class.

GetName

std::string GetName() const

Returns the name (identifier) of the interaction type.

IsValid

bool IsValid(const OEInteractionHint &) const

Returns whether the given interaction is considered valid for the given interaction type.

bool IsValid(const OEInteractionHintFragment *,
             const OEInteractionHintFragment *) const =0

This is a virtual method that has to be implemented in the concrete derived classes to evaluate whether the two given fragments form a valid interaction for the given concrete interaction type.