Package data_store :: Module interatomic :: Class InteratomContainer
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Class InteratomContainer

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Class containing the interatomic data.

Instance Methods [hide private]
 
__init__(self, spin_id1=None, spin_id2=None, select=True)
Set up the objects of the interatomic data container.
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__repr__(self)
The string representation of the object.
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bool
is_empty(self)
Method for testing if this InteratomContainer object is empty.
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Inherited from prototype.Prototype: __clone__, __deepcopy__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, spin_id1=None, spin_id2=None, select=True)
(Constructor)

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Set up the objects of the interatomic data container.

Parameters:
  • spin_id1 (str) - The spin ID string of the first atom.
  • spin_id2 (str) - The spin ID string of the second atom.
  • select (bool) - The selection flag.
Overrides: object.__init__

__repr__(self)
(Representation operator)

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The string representation of the object.

Rather than using the standard Python conventions (either the string representation of the value or the "<...desc...>" notation), a rich-formatted description of the object is given.

Overrides: object.__repr__

is_empty(self)

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Method for testing if this InteratomContainer object is empty.

Returns: bool
True if this container is empty, False otherwise.