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.