OECationPiInteractionHint

class OECationPiInteractionHint : public OEInteractionHintTypeBase

The OECationPiInteractionHint class represents a built-in type that identifies interactions stored in an OEInteractionHintContainer object as intermolecular cation-Pi interactions.

See also

• OECationPiInteractionHintType namespace for specific cation-Pi interaction types

• OEIsCationPiInteractionHint predicate

• OEInteractionHint class

• OEInteractionHintContainer class

To perceive cation-Pi interactions:

• OEPerceiveInteractionHints function

• OEPerceiveInteractionOptions class and its methods:

  • OEPerceiveInteractionOptions::SetMaxCationPiAngle

  • OEPerceiveInteractionOptions::SetMaxCationPiDistance

The following methods are publicly inherited from OEInteractionHintTypeBase:

operator=	operator==	GetName
operator!=	CreateCopy	IsValid

Constructors

OECationPiInteractionHint(unsigned int type)

Creates an OECationPiInteractionHint object with the given type.

type

This value has to be from the OECationPiInteractionHintType namespace.

Note

Two OECationPiInteractionHint objects with different types from the OECationPiInteractionHintType namespace are considered to be different.

OECationPiInteractionHint(const OECationPiInteractionHint &rhs)

Copy constructor.

operator=

OECationPiInteractionHint &operator=(const OECationPiInteractionHint &rhs)

Assignment operator.

CreateCopy

OEInteractionHintTypeBase *CreateCopy() const

Deep copy constructor that returns a copy of the object. The memory for the returned OECationPiInteractionHint 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 cation-Pi interaction when added to an OEInteractionHintContainer object.

It checks that each fragment contains at least one atom, and the fragments belong to different molecules i.e. it is an intermolecular interaction.