def test4():
swnt = SWNT((10, 5))
assert_equal(swnt.element1, 'C')
assert_equal(swnt.element2, 'C')
print(swnt)
print(swnt.basis)
print(swnt.unit_cell)
print(type(swnt.basis))
print(swnt)
print(swnt.basis)
print(swnt.basis[:2])
print(type(swnt.basis[:2]))
print(swnt.crystal_cell)
print(swnt.crystal_cell.basis)
swnt.element1 = 'N'
assert_equal(swnt.element1, 'N')
print(swnt)
swnt.element2 = 'Ar'
assert_equal(swnt.element2, 'Ar')
print(swnt)
assert_equal(swnt.unit_cell.basis.symbols.tolist()[:2], ['N', 'Ar'])
assert_equal(swnt.crystal_cell.basis.symbols.tolist()[:2], ['N', 'Ar'])
assert_equal(swnt.basis, ['N', 'Ar'])
def test6():
swnt = SWNT((10, 5), element1='B', element2='N')
assert_equal(swnt.element1, 'B')
assert_equal(swnt.element2, 'N')
print(swnt)
print(swnt.unit_cell)
swnt.element1 = 'N'
swnt.element2 = 'B'
assert_equal(swnt.element1, 'N')
assert_equal(swnt.element2, 'B')
print(swnt)
print(swnt.unit_cell)
assert_equal(swnt.unit_cell.basis.symbols.tolist()[:2], ['N', 'B'])
assert_equal(swnt.crystal_cell.basis.symbols.tolist()[:2], ['N', 'B'])
assert_equal(swnt.basis, ['N', 'B'])
def test3():
swnt = SWNT(n=20, m=0)
print(swnt)
assert_equal(swnt.element1, 'C')
assert_equal(swnt.element2, 'C')
assert_equal(swnt.n, 20)
assert_equal(swnt.m, 0)
assert_equal(swnt.nz, 1.0)
assert_equal(swnt.t1, 1)
assert_equal(swnt.t2, -2)
assert_equal(swnt.d, 20)
assert_equal(swnt.dR, 20)
assert_equal(swnt.N, 40)
assert_equal(swnt.R, (1, -1))
assert_almost_equal(swnt.chiral_angle, 0.0, places=2)
assert_almost_equal(swnt.Ch, 49.2, places=1)
assert_almost_equal(swnt.T, 4.26, places=2)
assert_almost_equal(swnt.dt, 15.7, places=1)
assert_almost_equal(swnt.rt, 7.8, places=1)
assert_equal(swnt.Ntubes, 1)
def test2():
swnt = SWNT(n=20, m=10)
print(swnt)
assert_equal(swnt.element1, 'C')
assert_equal(swnt.element2, 'C')
assert_equal(swnt.n, 20)
assert_equal(swnt.m, 10)
assert_equal(swnt.nz, 1.0)
assert_equal(swnt.t1, 4)
assert_equal(swnt.t2, -5)
assert_equal(swnt.d, 10)
assert_equal(swnt.dR, 10)
assert_equal(swnt.N, 140)
assert_equal(swnt.R, (1, -1))
assert_almost_equal(swnt.chiral_angle, 19.11, places=2)
assert_almost_equal(swnt.Ch, 65.07, places=2)
assert_almost_equal(swnt.T, 11.27, places=2)
assert_almost_equal(swnt.dt, 20.71, places=2)
assert_almost_equal(swnt.rt, 10.36, places=2)
assert_equal(swnt.Ntubes, 1)
def test1():
swnt = SWNT(n=10, m=10)
print(swnt)
assert_equal(swnt.n, 10)
assert_equal(swnt.m, 10)
assert_equal(swnt.element1, 'C')
assert_equal(swnt.element2, 'C')
assert_equal(swnt.nz, 1.0)
assert_equal(swnt.t1, 1)
assert_equal(swnt.t2, -1)
assert_equal(swnt.d, 10)
assert_equal(swnt.dR, 30)
assert_equal(swnt.N, 20)
assert_equal(swnt.R, (1, 0))
assert_almost_equal(swnt.chiral_angle, 30.0)
assert_almost_equal(swnt.Ch, 42.6, places=2)
assert_almost_equal(swnt.T, 2.46, places=2)
assert_almost_equal(swnt.dt, 13.56, places=2)
assert_almost_equal(swnt.rt, 6.78, places=2)
assert_equal(swnt.Ntubes, 1)
