def test_table(self):
for sg in gemmi.spacegroup_table():
if sg.ccp4 != 0:
self.assertEqual(sg.ccp4 % 1000, sg.number)
if sg.operations().is_centric():
self.assertEqual(sg.laue_str(), sg.point_group_hm())
else:
self.assertNotEqual(sg.laue_str(), sg.point_group_hm())
if sgtbx:
hall = sg.hall.encode()
cctbx_sg = sgtbx.space_group(hall)
cctbx_info = sgtbx.space_group_info(group=cctbx_sg)
self.assertEqual(sg.is_reference_setting(),
cctbx_info.is_reference_setting())
#to_ref = cctbx_info.change_of_basis_op_to_reference_setting()
#from_ref = '%s' % cob_to_ref.inverse().c()
c2p_sg = gemmi.Op(cctbx_sg.z2p_op().c().inverse().as_xyz())
self.assertEqual(sg.centred_to_primitive(), c2p_sg)
ops = gemmi.get_spacegroup_reference_setting(sg.number).operations()
ops.change_basis_forward(sg.basisop)
self.assertEqual(ops, sg.operations())
itb = gemmi.spacegroup_table_itb()
if sgtbx:
for s in sgtbx.space_group_symbol_iterator():
self.assertEqual(s.hall().strip(), next(itb).hall)
with self.assertRaises(StopIteration):
next(itb)
def test_table(self):
for sg in gemmi.spacegroup_table():
if sg.ccp4 != 0:
self.assertEqual(sg.ccp4 % 1000, sg.number)
if sg.operations().is_centric():
self.assertEqual(sg.laue_str(), sg.point_group_hm())
else:
self.assertNotEqual(sg.laue_str(), sg.point_group_hm())
if sgtbx:
hall = sg.hall.encode()
cctbx_sg = sgtbx.space_group(hall)
cctbx_info = sgtbx.space_group_info(group=cctbx_sg)
self.assertEqual(sg.is_reference_setting(),
cctbx_info.is_reference_setting())
#to_ref = cctbx_info.change_of_basis_op_to_reference_setting()
#from_ref = '%s' % cob_to_ref.inverse().c()
ops = gemmi.get_spacegroup_reference_setting(sg.number).operations()
ops.change_basis(sg.basisop)
self.assertEqual(ops, sg.operations())