class TestLennardJones(unittest.TestCase):
"""
Contains unit tests of the LennardJones class.
"""
def setUp(self):
self.sigma = 5.09
self.epsilon = 473
self.lennardJones = LennardJones(sigma=(self.sigma, "angstrom"), epsilon=(self.epsilon, "K"))
def test_sigma(self):
"""
Test the LennardJones.sigma attribute.
"""
self.assertAlmostEqual(self.lennardJones.sigma.value_si * 1e10, self.sigma, 4)
def test_epsilon(self):
"""
Test the LennardJones.epsilon attribute.
"""
self.assertAlmostEqual(self.lennardJones.epsilon.value_si / constants.R, self.epsilon, 4)
def test_getCollisionFrequency(self):
"""
Test the LennardJones.getCollisionFrequency() method.
"""
T = 1000
P = 1.0e5
M = P / constants.R / T
mu = 1.0
omega = self.lennardJones.getCollisionFrequency(T, M, mu)
self.assertAlmostEqual(omega / 3.13010e10, 1.0, 4)
def test_pickle(self):
"""
Test that a LennardJones object can be successfully pickled and
unpickled with no loss of information.
"""
import cPickle
lennardJones = cPickle.loads(cPickle.dumps(self.lennardJones))
self.assertAlmostEqual(self.lennardJones.sigma.value, lennardJones.sigma.value, 6)
self.assertEqual(self.lennardJones.sigma.units, lennardJones.sigma.units)
self.assertAlmostEqual(self.lennardJones.epsilon.value, lennardJones.epsilon.value, 4)
self.assertEqual(self.lennardJones.epsilon.units, lennardJones.epsilon.units)
def test_repr(self):
"""
Test that a LennardJones object can be successfully reconstructed from
its repr() with no loss of information.
"""
exec("lennardJones = {0!r}".format(self.lennardJones))
self.assertAlmostEqual(self.lennardJones.sigma.value, lennardJones.sigma.value, 6)
self.assertEqual(self.lennardJones.sigma.units, lennardJones.sigma.units)
self.assertAlmostEqual(self.lennardJones.epsilon.value, lennardJones.epsilon.value, 4)
self.assertEqual(self.lennardJones.epsilon.units, lennardJones.epsilon.units)
def setUp(self):
self.sigma = 5.09
self.epsilon = 473
self.lennardJones = LennardJones(sigma=(self.sigma, "angstrom"), epsilon=(self.epsilon, "K"))
