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 typesOEIsCationPiInteractionHint
predicateOEInteractionHint
class
To perceive cation-Pi interactions:
The following methods are publicly inherited from OEInteractionHintTypeBase
:
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.