def test_dHdpos(self):
Vmax = 100
a = 0
b = 8
positions = [0, 0.1, 0.2, 0.5, 1, 2, 3, 6]
expected_result = np.array([
0, -0.62490234, -1.24921875, -3.11279297, -6.15234375, -11.71875,
-16.11328125, -16.40625
])
potential = pot.doubleWellPot(Vmax=Vmax, a=a, b=b)
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=expected_result,
actual=energies,
err_msg="The results of " +
potential.name + " are not correct!",
decimal=2)
def test_energies(self):
Vmax = 100
a = 0
b = 8
positions = np.linspace(-10, 10, num=5)
expected_result = np.array(
[31.640625, 37.13378906, 100, 37.13378906, 31.640625])
potential = pot.doubleWellPot(Vmax=Vmax, a=a, b=b)
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=expected_result,
actual=energies,
err_msg="The results of " +
potential.name + " are not correct!",
decimal=2)
def test_constructor(self):
potential = pot.doubleWellPot()
