def test_dhdpos1DNPos(self):
ha = pot1.harmonicOsc(x_shift=-5)
hb = pot1.harmonicOsc(x_shift=5)
setattr(ha, "nDim", 1)
setattr(hb, "nDim", 1)
positions = [5, -5, 2, 0]
expected_result = np.array(
[[[10.], [0.], [10.]], [[0.], [0.], [0.]],
[[7.], [1.0862069], [5.9137931]], [[5.], [2.5], [2.5]]],
ndmin=2)
potential = pot.envelopedPotential(V_is=[ha, hb])
dhdpos = potential.dhdpos(positions)
self.assertEqual(
type(expected_result),
type(dhdpos),
msg=
"returnType of potential was not correct! it should be an np.array"
)
np.testing.assert_almost_equal(desired=expected_result,
actual=dhdpos,
err_msg="The results of " +
potential.name + " are not correct!",
decimal=8)
def redraw_states(self,nstates_event):
self.nstates = nstates_event["new"]
#Plotting stuff
for line in self.ax.lines:
if(line != self.eds_line):
self.ax.lines.remove(line)
del line
self.positions_state = np.arange(-4, 4*self.nstates, 0.5)
self.positions = [[x] for x in self.positions_state]
V_is=[pot.harmonicOsc(x_shift=state*4, k=10) for state in range(self.nstates)]
for state_e in [V.ene(self.positions_state) for V in V_is]:
self.ax.plot(self.positions_state, state_e, alpha=0.8, lw=5)
self.ax.set_xlim([-4,(4*self.nstates)])
#pot
self.Eoffs = self.eds_pot.Eoff_i
if(len(self.Eoffs)<self.nstates):
for x in range(len(self.Eoffs), self.nstates):
self.Eoffs.append(0)
elif(len(self.Eoffs)>self.nstates):
self.Eoffs= self.Eoffs[:self.nstates]
self.eoff_sliders_box.children=self.make_eoff_sliders(self.nstates)
self.eds_pot = potN.envelopedPotential(V_is=V_is, s=np.log10(1+(self.s**1.5/1000)), Eoff_i=self.Eoffs)
eds_enes = self.eds_pot.ene(self.positions)
self.eds_line.set_data(self.positions, eds_enes)
self.fig.canvas.draw()
self.fig.canvas.flush_events()
def test_check_positionsNDPoscorrectType_singlePos(self):
ha = pot.harmonicOsc(x_shift=-5)
hb = pot.harmonicOsc(x_shift=5)
potential = pot.envelopedPotential(V_is=[ha, hb])
positions = [[1, 2], [3, 4]]
expected = np.array([[1, 2], [3, 4]], ndmin=2)
checked = potential._check_positions_type_singlePos(position=positions)
#print(checked)
np.testing.assert_equal(checked, expected, "not the same sorry.")
def test_check_positionsND1Pos_multPos(self):
ha = pot.harmonicOsc(x_shift=-5)
hb = pot.harmonicOsc(x_shift=5)
potential = pot.envelopedPotential(V_is=[ha, hb])
positions = [0, 0.5, 1, 2]
expected = np.array([[[0, 0.5, 1, 2], [0, 0.5, 1, 2]]], ndmin=2)
checked = potential._check_positions_type_multiPos(positions=positions)
#print(checked)
np.testing.assert_equal(checked, expected, "not the same sorry.")
def test_check_positions_2DIterable(self):
ha = pot.harmonicOsc(x_shift=-5)
hb = pot.harmonicOsc(x_shift=5)
potential = pot.envelopedPotential(V_is=[ha, hb])
positions = np.array((4, 1))
expected = np.array([[[4, 1], [4, 1]]], ndmin=3)
checked = potential._check_positions_type(positions=positions)
#print(checked)
np.testing.assert_equal(checked, expected, "not the same sorry.")
def test_check_positions_1DNPosSameState_IterableIterable_multiPos(self):
ha = pot.harmonicOsc(x_shift=-5)
hb = pot.harmonicOsc(x_shift=5)
potential = pot.envelopedPotential(V_is=[ha, hb])
positions = np.array([[4], [2], [3]])
expected = np.array([[[4], [4]], [[2], [2]], [[3], [3]]], ndmin=3)
checked = potential._check_positions_type_multiPos(positions=positions)
#print(checked)
np.testing.assert_equal(checked, expected, "not the same sorry.")
def test_check_positions_1D1Pos_float_singlePos(self):
ha = pot.harmonicOsc(x_shift=-5)
hb = pot.harmonicOsc(x_shift=5)
potential = pot.envelopedPotential(V_is=[ha, hb])
position = 4
expected = np.array([[4], [4]])
checked = potential._check_positions_type_singlePos(position=position)
#print(checked)
np.testing.assert_equal(checked, expected, "not the same sorry.")
def test_energies_1DNPos(self):
ha = pot1.harmonicOsc(x_shift=-5)
hb = pot1.harmonicOsc(x_shift=5)
potential = pot.envelopedPotential(V_is=[ha, hb])
positions = [0, 0.5, 1, 2]
expected = np.array([11.80685282, 10.11828465, 7.9999546, 4.5])
energies = potential.ene(positions)
np.testing.assert_almost_equal(energies,
expected,
err_msg="not the same sorry.",
decimal=5)
def test_check_positions1DNPos(self):
ha = pot1.harmonicOsc(x_shift=-5)
hb = pot1.harmonicOsc(x_shift=5)
potential = pot.envelopedPotential(V_is=[ha, hb])
positions = [0, 0.5, 1, 2]
expected = np.array(
[[[0], [0]], [[0.5], [0.5]], [[1], [1]], [[2], [2]]], ndmin=2)
checked = potential._check_positions_type(positions=positions)
#print(checked)
np.testing.assert_equal(checked, expected, "not the same sorry.")
energies = potential.ene(positions)
def test_energiesND1Pos_multPos(self):
ha = pot.harmonicOsc(x_shift=-5)
hb = pot.harmonicOsc(x_shift=5)
position = [5, -5, 0]
expected_result = np.array(61.80685281944005)
potential = pot.envelopedPotential(V_is=[ha, hb])
energies = potential.ene(position)
#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=8)
def test_constructor(self):
ha = pot.harmonicOsc(x_shift=-5)
hb = pot.harmonicOsc(x_shift=5)
potential = pot.envelopedPotential(V_is=[ha, hb])
def __init__(self, nstates=2, s=100, Eoff=None):
self.nstates=2
self.s=s
if(isinstance(Eoff, type(None))):
self.Eoffs=[0 for state in range(self.nstates)]
else:
self.Eoffs=Eoff
self.V_is=[pot.harmonicOscillator(x_shift=state*4, k=10) for state in range(self.nstates)]
self.eds_pot = potN.envelopedPotential(V_is=self.V_is, s=self.s, Eoff_i=self.Eoffs)
##Parameters
self.positions_state = np.arange(-4, 4*self.nstates, 0.5)
self.positions = np.arange(-4, 4*self.nstates, 0.5) #[x for x in self.positions_state]
energies = [V.ene(self.positions_state) for V in self.V_is]
eds_enes = self.eds_pot.ene(self.positions)
#plot
self.fig= plt.figure()#dpi=300)
ax = self.fig.add_subplot()
ax.set_ylim([-50, 50])
ax.set_xlim([-4,(4*self.nstates)])
ax.set_xlabel("x")
ax.set_ylabel("V")
##init plots
ax.plot(self.positions, energies[0], "C1",alpha=0.8, lw=5)
ax.plot(self.positions, energies[1], "C2",alpha=0.8, lw=5)
self.eds_line = ax.plot(self.positions, eds_enes, "C3",lw=2,zorder=100)[0]
self.ax = ax
#sliders
##states
state_label = ipywidgets.Label("Number of States")
state_slider = ipywidgets.IntSlider(value=2, min=2, max=10, step=1,
orientation='horizontal')
state_slider.observe(self.redraw_states, names="value")
##svals
s_slider = ipywidgets.FloatSlider(value=100, min=0.1, max=101, step=1,
orientation='horizontal',
continous_update=True)
self.s_label = ipywidgets.Label("smoothing Parameter: "+str(np.log10(1+(s_slider.value**1.5/1000))))
s_slider.observe(self.redraw_s, names="value")
player = ipywidgets.Play(value=100, min=0.1, max=100, step=1,
description="s_values")
ipywidgets.jslink((s_slider, 'value'), (player, 'value'))
##eoffs
eoff_sliders = self.make_eoff_sliders(self.nstates)
#listeners
#layout
state_slider = ipywidgets.HBox([state_label, state_slider])
s_box = ipywidgets.HBox([self.s_label, player,s_slider])
self.eoff_sliders_box = ipywidgets.HBox(eoff_sliders)
controls = ipywidgets.VBox([state_slider, s_box, self.eoff_sliders_box])
self.redraw_s({"new": 100})
display(controls)
self.fig.show()