def test_dHdlam(self):
ha = pot.harmonicOsc(k=1.0, x_shift=-5.0)
hb = pot.harmonicOsc(k=1.0, x_shift=5.0)
potential = pot.linCoupledHosc(ha=ha, hb=hb, lam=0)
positions = np.linspace(-10, 10, num=5)
# energies only for pot HA
lam = 0
potential.set_lam(lam=lam)
expected_result = np.array([100, 50, 0, -50, -100])
energies = potential.dhdlam(positions)
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 wit lambda " + str(lam) + "!\n\tPositions: " +
str(positions) + "\n\tEnergies: " + str(energies),
decimal=2)
def test_energies(self):
ha = pot.harmonicOsc(k=1.0, x_shift=-5.0)
hb = pot.harmonicOsc(k=1.0, x_shift=5.0)
potential = pot.linCoupledHosc(ha=ha, hb=hb, lam=0)
positions = np.linspace(-10, 10, num=5)
# energies only for pot HA
lam1 = 0
expected_result1 = np.array([12.5, 0, 12.5, 50, 112.5])
potential.set_lam(lam=lam1)
energies = potential.ene(positions)
#print(energies)
self.assertEqual(
type(expected_result1),
type(energies),
msg=
"returnType of potential was not correct! it should be an np.array"
)
np.testing.assert_almost_equal(
desired=expected_result1,
actual=energies,
err_msg="The results of " + potential.name +
" are not correct wit lambda " + str(lam1) + "!\n\tPositions: " +
str(positions) + "\n\tEnergies: " + str(energies),
decimal=2)
# energies only for pot HB
lam2 = 1
expected_result2 = np.array([112.5, 50, 12.5, 0, 12.5])
potential.set_lam(lam=lam2)
energies = potential.ene(positions)
self.assertEqual(
type(expected_result2),
type(energies),
msg=
"returnType of potential was not correct! it should be an np.array"
)
np.testing.assert_almost_equal(
desired=expected_result2,
actual=energies,
err_msg="The results of " + potential.name +
" are not correct wit lambda " + str(lam2) + "!\n\tPositions: " +
str(positions) + "\n\tEnergies: " + str(energies),
decimal=2)
# energies merged for pot HB and HA
lam3 = 0.5
expected_result3 = np.array([62.5, 25, 12.5, 25, 62.5])
potential.set_lam(lam=lam3)
energies = potential.ene(positions)
self.assertEqual(
type(expected_result3),
type(energies),
msg=
"returnType of potential was not correct! it should be an np.array"
)
np.testing.assert_almost_equal(
desired=expected_result3,
actual=energies,
err_msg="The results of " + potential.name +
" are not correct wit lambda " + str(lam3) + "!\n\tPositions: " +
str(positions) + "\n\tEnergies: " + str(energies),
decimal=2)
def test_constructor(self):
potential = pot.linCoupledHosc()
