def test2():
lattice = Crystal2DLattice.square(a=1.0)
elements = ['H', 'He', 'B', 'C', 'N', 'O', 'Ar']
for element in elements:
xatom = BasisAtom(element, lattice=lattice)
assert_equal(xatom.element, element)
assert_equal(xatom.m, xatom.mass)
xatom = BasisAtom()
for c in ('x', 'y', 'z'):
assert_equal(getattr(xatom, c), 0.0)
def test6():
a = np.sqrt(3) * aCC
l1 = Crystal2DLattice.square(a)
l2 = Crystal2DLattice.square(2 * a)
assert_true(l1 < l2)
assert_true(np.allclose(2 * l1.a, l2.a))
def test3():
a = np.sqrt(3) * aCC
latt = Crystal2DLattice(a=a, b=a, gamma=90)
square = Crystal2DLattice.square(a)
assert_equal(latt, square)
def test3():
lattice = Crystal2DLattice.square(a=1.0)
atom = BasisAtom('C', lattice=lattice)
print(atom)
def test6():
a = np.sqrt(3) * aCC
l1 = Crystal2DLattice.square(a)
l2 = Crystal2DLattice.square(2 * a)
assert_true(l1 < l2)
assert_true(np.allclose(2 * l1.a, l2.a))
def test3():
a = np.sqrt(3) * aCC
latt = Crystal2DLattice(a=a, b=a, gamma=90)
square = Crystal2DLattice.square(a)
assert_equal(latt, square)
