elstruct

elstruct.writer

elstruct.reader

elstruct.run

elstruct.option

implements strings for option specification

thought: we could have default values specified through the keys like so:

MAXITER_ = create(‘scf_maxiter’, [‘num=50’])

elstruct.option.create(name_, keys_=())

Create an option specifier.

Parameters:
  • name (str) – name of the option to create

  • keys (tuple(obj)) – provide keys associated with the option

elstruct.option.specify(osp_, *args, **kwargs)

set values for an option specifier Function allow positional arguments, even though .format does not

Parameters:

osp – option specifier

elstruct.option.is_valid(osp_)

is this an option specifier? (either)

elstruct.option.name(osp_)

get the name from an option specifier (either)

elstruct.option.is_valueless(osp_)

is this string option specifier free of values?

elstruct.option.is_template(osp_)

is this a string option specifier?

elstruct.option.keys(osp_)

get the keys from a option specifier (template)

elstruct.option.values(osp)

get the values from an option specifier (string)

elstruct.util