OEChelatorInteractionHint¶
class OEChelatorInteractionHint : public OEInteractionHintTypeBase
The OEChelatorInteractionHint
class represents
a built-in type that identifies interactions stored in an
OEInteractionHintContainer
object as intermolecular
chelator (metal) interactions.
See also
OEChelatorInteractionHintType
namespace for specific chelator interaction typesOEIsChelatorInteractionHint
predicateOEInteractionHint
class
To perceive chelator interactions:
OEPerceiveInteractionHints
functionOEPerceiveInteractionOptions
class and itsOEPerceiveInteractionOptions.SetMaxMetalBondDistance
method
The following methods are publicly inherited from OEInteractionHintTypeBase
:
Constructors¶
OEChelatorInteractionHint(unsigned int type)
Constructor to create a chelator interaction type with the given parameter.
- type
This value has to be from the
OEChelatorInteractionHintType
namespace.
Note
Two OEChelatorInteractionHint
objects with different
types from the OEChelatorInteractionHintType
namespace are considered to be different.
OEChelatorInteractionHint(const OEChelatorInteractionHint &rhs)
Copy Constructor.
operator=¶
OEChelatorInteractionHint &operator=(const OEChelatorInteractionHint &rhs)
Assignment operator.
CreateCopy¶
OEInteractionHintTypeBase *CreateCopy() const
Deep copy constructor that returns a copy of the object.
The memory for the returned OEChelatorInteractionHint
object is dynamically allocated and owned by the caller.
GetChelatorType¶
unsigned int GetChelatorType() const
Returns the type of the OEChelatorInteractionHint
object.
The return value is taken from the OEChelatorInteractionHintType
namespace.
IsValid¶
bool IsValid(const OEInteractionHintFragment *,
const OEInteractionHintFragment *) const
Evaluates whether the two given fragments would form a valid
chelator interaction when added to an
OEInteractionHintContainer
object.
It checks that each fragment contains exactly one atom, and the fragments belong to different molecules i.e. it is an intermolecular interaction.