httk.atomistic.representativesites module

class httk.atomistic.representativesites.RepresentativeSites(reduced_coordgroups=None, cartesian_coordgroups=None, reduced_coords=None, cartesian_coords=None, counts=None, hall_symbol=None, pbc=None, wyckoff_symbols=None, multiplicities=None)

Bases: Sites

Represents any collection of sites in a unitcell

property anonymous_wyckoff_sequence

clean()

classmethod create(sites=None, reduced_coordgroups=None, reduced_coords=None, counts=None, spacegroup=None, hall_symbol=None, spacegroupnumber=None, setting=None, periodicity=None, wyckoff_symbols=None, multiplicities=None, occupancies=None, pbc=None)

Create a new sites object

property crystal_system

get_uc_sites()

property lattice_symbol

property lattice_system

tidy()

property total_number_of_atoms

property wyckoff_sequence

httk.atomistic.representativesites.main()