def test_energies(self):
q1 = 1
q2 = 1
epsilon = 1
positions = [0, 0.2, 0.5, 1, 2, 360]
expected_result = np.array([
np.inf, 0.397887358, 0.159154943, 0.0795774715, 0.0397887358,
0.000221048532
])
potential = pot.coulombPotential(q1=q1, q2=q2, epsilon=epsilon)
energies = potential.ene(positions)
#print(energies)
self.assertEqual(
type(expected_result),
type(energies),
msg=
"returnType of potential was not correct! it should be an np.array"
)
np.testing.assert_almost_equal(desired=list(expected_result),
actual=list(energies),
err_msg="The results of " +
potential.name + " are not correct!",
decimal=8)
def test_dHdpos(self):
q1 = 1
q2 = 1
epsilon = 1
positions = [0, 0.2, 0.5, 1, 2, 360]
expected_result = np.array([
-np.inf, -1.98943679, -0.31830988, -0.0795774715, -0.0198943679,
-0.000000614023700
])
potential = pot.coulombPotential(q1=q1, q2=q2, epsilon=epsilon)
energies = potential.dhdpos(positions)
#print(energies)
self.assertEqual(
type(expected_result),
type(energies),
msg=
"returnType of potential was not correct! it should be an np.array"
)
np.testing.assert_almost_equal(desired=list(expected_result),
actual=list(energies),
err_msg="The results of " +
potential.name + " are not correct!",
decimal=8)
def test_constructor(self):
potential = pot.coulombPotential()
