def test_to_from_dict(self):
op = SymmOp([[3, -2, -1, 0.5], [-1, 0, 0, 12. / 13],
[0, 0, 1, 0.5 + 1e-7], [0, 0, 0, 1]])
magop = MagSymmOp.from_symmop(op, -1)
magop2 = MagSymmOp.from_dict(magop.as_dict())
self.assertEqual(magop2.time_reversal, -1)
self.assertEqual(magop2.as_xyzt_string(), '3x-2y-z+1/2, -x+12/13, z+1/2, -1')
def test_to_from_dict(self):
op = SymmOp([[3, -2, -1, 0.5], [-1, 0, 0, 12. / 13],
[0, 0, 1, 0.5 + 1e-7], [0, 0, 0, 1]])
magop = MagSymmOp.from_symmop(op, -1)
magop2 = MagSymmOp.from_dict(magop.as_dict())
self.assertEqual(magop2.time_reversal, -1)
self.assertEqual(magop2.as_xyzt_string(), '3x-2y-z+1/2, -x+12/13, z+1/2, -1')
def test_xyzt_string(self):
xyzt_strings = [
'x, y, z, +1', 'x, y, z, -1', '-y+1/2, x+1/2, x+1/2, +1'
]
for xyzt_string in xyzt_strings:
op = MagSymmOp.from_xyzt_string(xyzt_string)
xyzt_string_out = op.as_xyzt_string()
self.assertEqual(xyzt_string, xyzt_string_out)
op = SymmOp([[3, -2, -1, 0.5], [-1, 0, 0, 12. / 13],
[0, 0, 1, 0.5 + 1e-7], [0, 0, 0, 1]])
magop = MagSymmOp.from_symmop(op, -1)
magop_str = magop.as_xyzt_string()
self.assertEqual(magop.time_reversal, -1)
self.assertEqual(magop_str, '3x-2y-z+1/2, -x+12/13, z+1/2, -1')
def test_xyzt_string(self):
xyzt_strings = ['x, y, z, +1',
'x, y, z, -1',
'-y+1/2, x+1/2, x+1/2, +1']
for xyzt_string in xyzt_strings:
op = MagSymmOp.from_xyzt_string(xyzt_string)
xyzt_string_out = op.as_xyzt_string()
self.assertEqual(xyzt_string, xyzt_string_out)
op = SymmOp([[3, -2, -1, 0.5], [-1, 0, 0, 12. / 13],
[0, 0, 1, 0.5 + 1e-7], [0, 0, 0, 1]])
magop = MagSymmOp.from_symmop(op, -1)
magop_str = magop.as_xyzt_string()
self.assertEqual(magop.time_reversal, -1)
self.assertEqual(magop_str, '3x-2y-z+1/2, -x+12/13, z+1/2, -1')