def test3():
a = 5.0
angle = 90
basis = ['C', 'C']
coords = [[0, 0, 0], [1 / 2, 1 / 2, 1 / 2]]
latt1 = Crystal3DLattice.cubic(a)
latt2 = \
Crystal3DLattice(a=a, b=a, c=a, alpha=angle, beta=angle, gamma=angle)
assert_equal(latt1, latt2)
cell1 = UnitCell(lattice=latt1, basis=basis[:], coords=coords[:])
cell2 = UnitCell(lattice=latt2, basis=basis[:], coords=coords[:])
assert_equal(cell1, cell2)
latt3 = Crystal3DLattice.cubic(10.0)
assert_not_equal(latt1, latt3)
def test4():
lattice = Crystal3DLattice.cubic(a=5.0)
basis = BasisAtoms(atoms=['C', 'C'])
print(basis)
print(basis.lattice)
assert_true(basis.lattice is None)
basis.lattice = lattice
assert_true(isinstance(basis.lattice, Crystal3DLattice))
def test16():
a = np.sqrt(3) * aCC
assert_true(Crystal3DLattice.cubic(a) < Crystal3DLattice.cubic(2 * a))
def test12():
a = np.sqrt(3) * aCC
cubic_latt = Crystal3DLattice(a=a, b=a, c=a, alpha=90, beta=90, gamma=90)
assert_equal(cubic_latt, Crystal3DLattice.cubic(a))