def test_interpolate(self):
coords = list()
coords.append([0, 0, 0])
coords.append([0.75, 0.5, 0.75])
struct = Structure(self.lattice, [self.si, self.si], coords)
coords2 = list()
coords2.append([0, 0, 0])
coords2.append([0.5, 0.5, 0.5])
struct2 = Structure(self.struct.lattice, [self.si, self.si], coords2)
int_s = struct.interpolate(struct2, 10)
for s in int_s:
self.assertIsNotNone(s, "Interpolation Failed!")
self.assertTrue((int_s[1][1].frac_coords == [ 0.725, 0.5, 0.725]).all())
badlattice = [[ 1, 0.00, 0.00], [0, 1, 0.00], [0.00, 0, 1]]
struct2 = Structure(badlattice, [self.si, self.si], coords2)
self.assertRaises(ValueError, struct.interpolate, struct2)
coords2 = list()
coords2.append([0, 0, 0])
coords2.append([0.5, 0.5, 0.5])
struct2 = Structure(self.struct.lattice, [self.si, Element("Fe")], coords2)
self.assertRaises(ValueError, struct.interpolate, struct2)
