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()