cctbx.sgtbx.reticular_pg_tools module¶

This code has been specifically developed for the detection of reticular twin laws. It is a very simple implementation of rotational groups using the boost rationals. Since reticular twin laws typically have matrix elements that cannot be handled by the current cctbx implementation, some code duplication was unavoidable.

cctbx.sgtbx.reticular_pg_tools.as_hkl(op)¶

cctbx.sgtbx.reticular_pg_tools.build_reticular_twin_laws(old_sg, new_sg)¶

cctbx.sgtbx.reticular_pg_tools.cb_op_as_rational(cb_op)¶

cctbx.sgtbx.reticular_pg_tools.compare_groups(sg1, sg2)¶

cctbx.sgtbx.reticular_pg_tools.construct_rational_point_group(space_group, cb_op=None)¶

cctbx.sgtbx.reticular_pg_tools.cosets(g, h)¶

cctbx.sgtbx.reticular_pg_tools.extra_operators(old_sg, new_sg)¶

cctbx.sgtbx.reticular_pg_tools.is_reticular_polyholohedral(old_sg, new_sg)¶

cctbx.sgtbx.reticular_pg_tools.is_subgroup(sub, super)¶

class cctbx.sgtbx.reticular_pg_tools.rat_rot_group¶

Bases: object

change_basis(cb_op)¶

expand(new_op=None, show=False)¶

is_in_group(this_op)¶

show()¶

cctbx.sgtbx.reticular_pg_tools.recurring_operators(old_sg, new_sg)¶

cctbx.sgtbx.reticular_pg_tools.rt_mx_as_rational(rot_mat)¶

cctbx.sgtbx.reticular_pg_tools.run()¶

cctbx.sgtbx.reticular_pg_tools.tst_build_reticular_twin_laws()¶

cctbx.sgtbx.reticular_pg_tools.tst_compare()¶

cctbx.sgtbx.reticular_pg_tools.tst_groups()¶