httk.atomistic.sites module¶

class httk.atomistic.sites.Sites(reduced_coordgroups=None, reduced_coords=None, counts=None, hall_symbol=None, pbc=None)[source]¶

Bases: httk.core.httkobject.HttkObject

Represents any collection of sites in a unitcell

anonymous_formula¶

clean()[source]¶

coords_groupnumber¶

counts¶

classmethod create(sites=None, reduced_coordgroups=None, reduced_coords=None, counts=None, occupancies=None, spacegroup=None, hall_symbol=None, spacegroupnumber=None, setting=None, pbc=None, periodicity=None)[source]¶: Create a new sites object

get_cartesian_coordgroups(cell)[source]¶

get_cartesian_coords(scale)[source]¶

reduced_coordgroups¶

reduced_coords¶

total_number_of_atoms¶

classmethod use(old, cell=None, hall_symbol=None, periodicity=None)[source]¶

httk.atomistic.sites.main()[source]¶