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 types
OEIsChelatorInteractionHint predicate
OEIsIntramolecularChelatorInteractionHint predicate
OEInteractionHint class
OEInteractionHintContainer class

To perceive chelator interactions:

OEPerceiveInteractionHints function
OEPerceiveInteractionOptions class and its OEPerceiveInteractionOptions::SetMaxMetalBondDistance method

The following methods are publicly inherited from OEInteractionHintTypeBase:

`operator=`	`operator==`	`GetName`
`operator!=`	`CreateCopy`	`IsValid`

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.

The returned copy should be deallocated using C++ delete operator in order to prevent a memory leak.

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.