import unittest import numpy as np from spglib import get_symmetry class TestGetOperationsWithSiteTensors(unittest.TestCase): def setUp(self): lattice = [[0, 2, 2], [2, 0, 2], [2, 2, 0]] positions = [[0, 0, 0]] numbers = [1] magmoms = [[0, 0, 1]] self._cell_Ni = (lattice, positions, numbers, magmoms) def tearDown(self): pass def test_get_symmetry_non_collinear(self): sym = get_symmetry(self._cell_Ni) self.assertEqual(8, len(sym['rotations'])) np.testing.assert_equal(sym['equivalent_atoms'], [0]) def test_get_symmetry_vectors(self): pass if __name__ == '__main__': suite = unittest.TestLoader().loadTestsFromTestCase( TestGetOperationsWithSiteTensors) unittest.TextTestRunner(verbosity=2).run(suite) # unittest.main()