Site

class ase2sprkkr.sprkkr.sprkkr_grammar_types.Site(prefix=None, postfix=None, format='', after_format=None, default_value=None, condition=None, after_convert=None, description='', min=None, max=None)[source]

Class hierarchy

Inheritance diagram of ase2sprkkr.sprkkr.sprkkr_grammar_types.Site

Constructor

Parameters:
  • prefix (str | None)

  • postfix (str | None)

  • format (str)

  • after_format (str | None)

  • default_value (Any)

  • condition (Callable[[Any], bool | str] | None)

  • after_convert (Callable[[Any], Any] | None)

  • min (int | None)

  • max (int | None)

__init__(prefix=None, postfix=None, format='', after_format=None, default_value=None, condition=None, after_convert=None, description='', min=None, max=None)
Parameters:
  • min (int | None) – Minimal allowed value.

  • max (int | None) – Maximal allowed value.

  • prefix (str | None)

  • postfix (str | None)

  • format (str)

  • after_format (str | None)

  • default_value (Any)

  • condition (Callable[[Any], bool | str] | None)

  • after_convert (Callable[[Any], Any] | None)

type

alias of Site

set_from_atoms(option, atoms, io_data)[source]
I = <Site>
allowed_types = (<class 'numpy.int64'>, <class 'numpy.int32'>, <class 'int'>)
datatype

alias of int