def plot_frames(iom, blockid=0, view=None, imgsize=(12,9)):
"""Plot the phase of a wavefunction for a series of timesteps.
:param iom: An ``IOManager`` instance providing the simulation data.
:param view: The aspect ratio.
"""
parameters = iom.load_parameters()
grid = iom.load_grid(blockid="global")
timegrid = iom.load_wavefunction_timegrid(blockid=blockid)
# Precompute eigenvectors for efficiency
Potential = PotentialFactory().create_potential(parameters)
eigenvectors = Potential.evaluate_eigenvectors_at(grid)
for step in timegrid:
print(" Plotting frame of timestep # " + str(step))
wave = iom.load_wavefunction(blockid=blockid, timestep=step)
values = [ wave[j,...] for j in xrange(parameters["ncomponents"]) ]
# Transform the values to the eigenbasis
# TODO: improve this:
if parameters["algorithm"] == "fourier":
ve = Potential.project_to_eigen(grid, values, eigenvectors)
else:
ve = values
fig = figure(figsize=imgsize)
for index, component in enumerate(ve):
ax = fig.add_subplot(parameters["ncomponents"],1,index+1)
ax.ticklabel_format(style="sci", scilimits=(0,0), axis="y")
# Plot the wavefunction
ax.plot(grid, component*conj(component), color="gray")
ax.set_ylabel(r"$\langle \varphi_"+str(index)+r"| \varphi_"+str(index)+r"\rangle$")
ax.set_xlabel(r"$x$")
# Compute the phase from the wavefunction restricted to "important" regions
restr_grid = grid[component*conj(component) > 10e-8]
restr_comp = component[component*conj(component) > 10e-8]
# Plot the phase
ax.plot(restr_grid, angle(restr_comp), "-", color="green")
ax.plot(restr_grid, ComplexMath.continuate(angle(restr_comp)), ".", color="green")
# Set the aspect window
if view is not None:
ax.set_xlim(view[:2])
#ax.set_ylim(view[2:])
fig.suptitle(r"$\arg \Psi$ at time $"+str(step*parameters["dt"])+r"$")
fig.savefig("wavefunction_phase_block"+str(blockid)+"_"+ (7-len(str(step)))*"0"+str(step) +GD.output_format)
close(fig)
print(" Plotting frames finished")
def plot_parameters(gid, data):
print("Plotting the wavepacket parameters of group '"+str(gid)+"'")
if len(data) == 0:
return
# Plot the time evolution of the parameters P, Q, S, p and q
fig = figure(figsize=(12,12))
ax = [ fig.add_subplot(4,2,i) for i in xrange(1,8) ]
for datum in data:
timegrid, PI = datum
Phist, Qhist, Shist, phist, qhist = PI
ax[0].plot(timegrid, real(Phist), label=r"$\Re P$")
ax[0].grid(True)
ax[0].set_title(r"$\Re P$")
ax[1].plot(timegrid, imag(Phist), label=r"$\Im P$")
ax[1].grid(True)
ax[1].set_title(r"$\Im P$")
ax[2].plot(timegrid, real(Qhist), label=r"$\Re Q$")
ax[2].grid(True)
ax[2].set_title(r"$\Re Q$")
ax[3].plot(timegrid, imag(Qhist), label=r"$\Im Q$")
ax[3].grid(True)
ax[3].set_title(r"$\Im Q$")
ax[4].plot(timegrid, real(qhist), label=r"$q$")
ax[4].grid(True)
ax[4].set_title(r"$q$")
ax[5].plot(timegrid, real(phist), label=r"$p$")
ax[5].grid(True)
ax[5].set_title(r"$p$")
ax[6].plot(timegrid, real(Shist), label=r"$S$")
ax[6].grid(True)
ax[6].set_title(r"$S$")
fig.suptitle("Wavepacket parameters")
fig.savefig("wavepacket_parameters_group"+str(gid)+GD.output_format)
close(fig)
# Plot the time evolution of the parameters P, Q, S, p and q
# This time plot abs/angle instead of real/imag
fig = figure(figsize=(12,12))
ax = [ fig.add_subplot(4,2,i) for i in xrange(1,8) ]
for datum in data:
timegrid, PI = datum
Phist, Qhist, Shist, phist, qhist = PI
ax[0].plot(timegrid, abs(Phist), label=r"$|P|$")
ax[0].grid(True)
ax[0].set_title(r"$|P|$")
ax[1].plot(timegrid, ComplexMath.cont_angle(Phist), label=r"$\arg P$")
ax[1].grid(True)
ax[1].set_title(r"$\arg P$")
ax[2].plot(timegrid, abs(Qhist), label=r"$|Q|$")
ax[2].grid(True)
ax[2].set_title(r"$|Q|$")
ax[3].plot(timegrid, ComplexMath.cont_angle(Qhist), label=r"$\arg Q$")
ax[3].grid(True)
ax[3].set_title(r"$\arg Q$")
ax[4].plot(timegrid, real(qhist), label=r"$q$")
ax[4].grid(True)
ax[4].set_title(r"$q$")
ax[5].plot(timegrid, real(phist), label=r"$p$")
ax[5].grid(True)
ax[5].set_title(r"$p$")
ax[6].plot(timegrid, real(Shist), label=r"$S$")
ax[6].grid(True)
ax[6].set_title(r"$S$")
fig.suptitle("Wavepacket parameters")
fig.savefig("wavepacket_parameters_absang_group"+str(gid)+GD.output_format)
close(fig)
def plot_parameters(data, index=0):
"""Plot the data parameters (P, Q, S, p, q) over time.
For each new I{index} we start a new figure.
"""
print("Plotting the parameters of data block '"+str(index)+"'")
timegrid, Phist, Qhist, Shist, phist, qhist = data
# Plot the time evolution of the parameters P, Q, S, p and q
fig = figure(figsize=(12,12))
ax = fig.add_subplot(4,2,1)
for item in Phist:
ax.plot(timegrid, real(item), label=r"$\Re P$")
ax.grid(True)
ax.set_title(r"$\Re P$")
ax = fig.add_subplot(4,2,2)
for item in Phist:
ax.plot(timegrid, imag(item), label=r"$\Im P$")
ax.grid(True)
ax.set_title(r"$\Im P$")
ax = fig.add_subplot(4,2,3)
for item in Qhist:
ax.plot(timegrid, real(item), label=r"$\Re Q$")
ax.grid(True)
ax.set_title(r"$\Re Q$")
ax = fig.add_subplot(4,2,4)
for item in Qhist:
ax.plot(timegrid, imag(item), label=r"$\Im Q$")
ax.grid(True)
ax.set_title(r"$\Im Q$")
ax = fig.add_subplot(4,2,5)
for item in qhist:
ax.plot(timegrid, real(item), label=r"$q$")
ax.grid(True)
ax.set_title(r"$q$")
ax = fig.add_subplot(4,2,6)
for item in phist:
ax.plot(timegrid, real(item), label=r"$p$")
ax.grid(True)
ax.set_title(r"$p$")
ax = fig.add_subplot(4,2,7)
for item in Shist:
ax.plot(timegrid, real(item), label=r"$S$")
ax.grid(True)
ax.set_title(r"$S$")
fig.suptitle("Wavepacket parameters")
fig.savefig("wavepacket_parameters_block"+str(index)+GD.output_format)
close(fig)
# Plot the time evolution of the parameters P, Q, S, p and q
# This time plot abs/angle instead of real/imag
fig = figure(figsize=(12,12))
ax = fig.add_subplot(4,2,1)
for item in Phist:
ax.plot(timegrid, abs(item), label=r"$|P|$")
ax.grid(True)
ax.set_title(r"$|P|$")
ax = fig.add_subplot(4,2,2)
for item in Phist:
ax.plot(timegrid, ComplexMath.cont_angle(item), label=r"$\arg P$")
ax.grid(True)
ax.set_title(r"$\arg P$")
ax = fig.add_subplot(4,2,3)
for item in Qhist:
ax.plot(timegrid, abs(item), label=r"$|Q|$")
ax.grid(True)
ax.set_title(r"$|Q|$")
ax = fig.add_subplot(4,2,4)
for item in Qhist:
ax.plot(timegrid, ComplexMath.cont_angle(item), label=r"$\arg Q$")
ax.grid(True)
ax.set_title(r"$\arg Q$")
ax = fig.add_subplot(4,2,5)
for item in qhist:
ax.plot(timegrid, real(item), label=r"$q$")
ax.grid(True)
ax.set_title(r"$q$")
ax = fig.add_subplot(4,2,6)
for item in phist:
ax.plot(timegrid, real(item), label=r"$p$")
ax.grid(True)
ax.set_title(r"$p$")
ax = fig.add_subplot(4,2,7)
for item in Shist:
ax.plot(timegrid, abs(item), label=r"$S$")
ax.grid(True)
ax.set_title(r"$S$")
fig.suptitle("Wavepacket parameters")
fig.savefig("wavepacket_parameters_abs_ang_block"+str(index)+GD.output_format)
close(fig)
# Plot the complex trajectory of the parameters P
fig = figure()
ax = fig.gca()
for item in Phist:
ax.plot(real(item), imag(item), "-o", label=r"Trajectory $P$")
ax.grid(True)
ax.set_title(r"Trajectory of $P$")
fig.savefig("wavepacket_parameters_trajectoryP_block"+str(index)+GD.output_format)
close(fig)
# Plot the complex trajectory of the parameters Q
fig = figure()
ax = fig.gca()
for item in Qhist:
ax.plot(real(item), imag(item), "-o", label=r"Trajectory $Q$")
ax.grid(True)
ax.set_title(r"Trajectory of $Q$")
fig.savefig("wavepacket_parameters_trajectoryQ_block"+str(index)+GD.output_format)
close(fig)
