예제 #1
0
 def test_selling_dist(self):
     # verification process described here: https://github.com/materialsproject/pymatgen/pull/1888#issuecomment-818072164
     np.testing.assert_(Lattice.selling_dist(Lattice.cubic(5), Lattice.cubic(5)) == 0)
     hex_lattice = Lattice.hexagonal(5, 8)
     triclinic_lattice = Lattice.from_parameters(4, 10, 11, 100, 110, 80)
     np.testing.assert_allclose(Lattice.selling_dist(hex_lattice, triclinic_lattice), 76, rtol=0.1)
     np.testing.assert_allclose(
         Lattice.selling_dist(Lattice.tetragonal(10, 12), Lattice.tetragonal(10.1, 11.9)),
         3.7,
         rtol=0.1,
     )
     np.testing.assert_allclose(
         Lattice.selling_dist(Lattice.cubic(5), Lattice.from_parameters(8, 10, 12, 80, 90, 95)),
         115.6,
         rtol=0.1,
     )