def test_get_lattices(self):
sm = StructureMatcher(ltol=0.2, stol=0.3, angle_tol=5, primitive_cell=True, scale=True, attempt_supercell=False)
l1 = Lattice.from_lengths_and_angles([1, 2.1, 1.9], [90, 89, 91])
l2 = Lattice.from_lengths_and_angles([1.1, 2, 2], [89, 91, 90])
s1 = Structure(l1, [], [])
s2 = Structure(l2, [], [])
lattices = list(sm._get_lattices(s=s1, target_lattice=s2.lattice))
self.assertEqual(len(lattices), 16)
l3 = Lattice.from_lengths_and_angles([1.1, 2, 20], [89, 91, 90])
s3 = Structure(l3, [], [])
lattices = list(sm._get_lattices(s=s1, target_lattice=s3.lattice))
self.assertEqual(len(lattices), 0)
def test_get_lattices(self):
sm = StructureMatcher(ltol=0.2, stol=0.3, angle_tol=5,
primitive_cell=True, scale=True,
attempt_supercell=False)
l1 = Lattice.from_lengths_and_angles([1, 2.1, 1.9] , [90, 89, 91])
l2 = Lattice.from_lengths_and_angles([1.1, 2, 2] , [89, 91, 90])
s1 = Structure(l1, [], [])
s2 = Structure(l2, [], [])
lattices = list(sm._get_lattices(s = s1, target_s = s2))
self.assertEqual(len(lattices), 16)
l3 = Lattice.from_lengths_and_angles([1.1, 2, 20] , [89, 91, 90])
s3 = Structure(l3, [], [])
lattices = list(sm._get_lattices(s = s1, target_s = s3))
self.assertEqual(len(lattices), 0)
