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)[source]

Bases: httk.atomistic.sites.Sites

Represents any collection of sites in a unitcell

anonymous_wyckoff_sequence
clean()[source]
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)[source]

Create a new sites object

crystal_system
get_uc_sites()[source]
lattice_symbol
lattice_system
tidy()[source]
total_number_of_atoms
wyckoff_sequence
httk.atomistic.representativesites.main()[source]