httk.atomistic.spacegroup module

class httk.atomistic.spacegroup.Spacegroup(hall_symbol)

Bases: HttkObject

Represents a spacegroup

classmethod create(spacegroup=None, hall_symbol=None, hm_symbol=None, spacegroupnumber=None, setting=None, symops=None)

Create a new spacegroup object,

Give ONE OF hall_symbol or spacegroup.

hall_symbol = a string giving the hall symbol of the spacegroup

spacegroup = a spacegroup on any reasonable format that can be parsed, e.g.,

an integer (spacegroup number)

setting = if only a spacegroup number is given, this allows also specifying a setting.

property number

property number_and_setting

httk.atomistic.spacegroup.main()