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.expCoupledHosc(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([
4.009080e-001, 4.009080e-001, 0.000, -5.846620e+053, -8.526387e+107
])
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_allclose(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))
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.expCoupledHosc(ha=ha, hb=hb, lam=0)
positions = np.linspace(-10, 10, num=5)
# energies only for pot HA
lam = 0
expected_result = np.array([12.5, 0, 12.5, 50, 112.5])
potential.set_lam(lam=lam)
energies = potential.ene(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)
# energies only for pot HB
lam = 1
expected_result = np.array([112.5, 50, 12.5, 0, 12.5])
potential.set_lam(lam=lam)
energies = potential.ene(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)
# energies merged for pot HB and HA
lam = 0.5
expected_result = np.array([12.78, 0.28, 12.5, 0.28, 12.78])
potential.set_lam(lam=lam)
energies = potential.ene(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_dHdpos(self):
ha = pot.harmonicOsc(k=1.0, x_shift=-5.0)
hb = pot.harmonicOsc(k=1.0, x_shift=5.0)
potential = pot.expCoupledHosc(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([
-1304235.5118838537, 0.0, 1.9168317203608185e-05,
1.469697537672566e-10, 8.451488578640889e-16
])
energies = potential.dhdpos(positions)
##print("GOT", list(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 wit lambda "+str(lam)+"!\n\tPositions: "+str(positions)+"\n\tEnergies: "+str(energies), decimal=2)
#energies only for pot HB
lam = 1
expected_result = np.array([
-2.6622529026263318e+17, -680412108183.5752, -1304235.5118838537,
0.0, 1.9168317203608185e-05
])
potential.set_lam(lam=lam)
energies = potential.dhdpos(positions)
##print("GOT2", list(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 wit lambda "+str(lam)+"!\n\tPositions: "+str(positions)+"\n\tEnergies: "+str(energies), decimal=2)
#energies merged for pot HB and HA
lam = 0.5
expected_result = np.array([
-1.331126451319687e+17, -340206054091.7876, -652117.7559323427,
7.34848768836283e-11, 9.584158602226667e-06
])
potential.set_lam(lam=lam)
energies = potential.dhdpos(positions)
##print("GOT3", list(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 wit lambda " + str(lam) + "!\n\tPositions: " +
str(positions) + "\n\tEnergies: " + str(energies),
decimal=2)
def test_constructor(self):
potential = pot.expCoupledHosc()
