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
To perceive cation-Pi interactions:
The following methods are publicly inherited from OEInteractionHintTypeBase:
| operator= | operator== | GetName |
| operator!= | CreateCopy | IsValid |
OECationPiInteractionHint(unsigned int type)
Creates an OECationPiInteractionHint object with the given type.
Note
Two OECationPiInteractionHint objects with different types from the OECationPiInteractionHintType namespace are considered to be different.
OECationPiInteractionHint(const OECationPiInteractionHint &rhs)
Copy constructor.
OECationPiInteractionHint &operator=(const OECationPiInteractionHint &rhs)
Assignment operator.
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.
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.