cctbx.sgtbx.pointgroup_tools module¶
- cctbx.sgtbx.pointgroup_tools.compatible_symmetries(point_group)¶
Primitive setting assumed
- cctbx.sgtbx.pointgroup_tools.coset_lookup(pg_low, pg_high)¶
- class cctbx.sgtbx.pointgroup_tools.edge_object(used, unused, as_xyz=False)¶
Bases:
object- return_unused()¶
- return_used()¶
- class cctbx.sgtbx.pointgroup_tools.find_compatible_space_groups(likely_pointgroup=None, xtal_sg=None, unit_cell=None, sys_abs_flag=True, miller_array=None)¶
Bases:
object- compare_abs_lists(abs_list_sub, abs_list_super)¶
- find_absent_indices()¶
- full_sys_abs_mask()¶
- get_space_groups_compatible_with_likely_point_group()¶
- make_sys_abs_list(space_group)¶
- show(out=None)¶
- class cctbx.sgtbx.pointgroup_tools.point_group_graph(pg_low, pg_high, enforce_point_group=True, as_xyz=False)¶
Bases:
object- build_it()¶
- get_maximal_subgroup(sg_name)¶
- make_and_place_nodes_and_connections(input_sg)¶
- remove_point_group_and_its_super_groups_from_graph(group_name)¶
- reverse_dict()¶
- cctbx.sgtbx.pointgroup_tools.reference_setting_choices(space_group)¶
- class cctbx.sgtbx.pointgroup_tools.space_group_graph_from_cell_and_sg(unit_cell, sg_low, max_delta=5.0)¶
Bases:
object- graphviz_pg_graph(out=None)¶
- return_likely_sg_and_cell()¶
- show(out=None)¶
- class cctbx.sgtbx.pointgroup_tools.sub_super_point_group_relations(sg_low, sg_high, enforce_point_groups=True)¶
Bases:
object- assemble_symops()¶
- find_left_over_symops()¶
- get_symops_from_supergroup_that_are_not_in_subgroup(sg_high)¶
- return_next_index()¶
- return_next_left_over_set()¶
- return_next_set()¶
- return_next_sg()¶
- show(out=None)¶