def plot_frames(PP,
iom,
blockid=0,
timerange=None,
view=None,
plotphase=True,
plotcomponents=False,
plotabssqr=False,
load=True,
gridblockid=None,
imgsize=(12, 9),
path='.'):
"""Plot the wave function for a series of timesteps.
:param iom: An :py:class:`IOManager` instance providing the simulation data.
:param view: The aspect ratio.
:param plotphase: Whether to plot the complex phase. (slow)
:param plotcomponents: Whether to plot the real/imaginary parts..
:param plotabssqr: Whether to plot the absolute value squared.
"""
parameters = iom.load_parameters()
if not parameters["dimension"] == 1:
print("No two-dimensional wavefunction, silent return!")
return
if PP is None:
PP = parameters
if load is True:
if gridblockid is None:
gridblockid = blockid
print("Loading grid data from datablock '%s'" % gridblockid)
G = iom.load_grid(blockid=gridblockid)
grid = real(G.reshape(-1))
else:
print("Creating new grid")
G = BlockFactory().create_grid(PP)
grid = real(G.get_nodes(flat=True).reshape(-1))
# View
if view[0] is None:
view[0] = grid.min()
if view[1] is None:
view[1] = grid.max()
timegrid = iom.load_wavefunction_timegrid(blockid=blockid)
if timerange is not None:
if len(timerange) == 1:
I = (timegrid == timerange)
else:
I = ((timegrid >= timerange[0]) & (timegrid <= timerange[1]))
if any(I):
timegrid = timegrid[I]
else:
raise ValueError("No valid timestep remains!")
for step in timegrid:
print(" Plotting frame of timestep # {}".format(step))
wave = iom.load_wavefunction(blockid=blockid, timestep=step)
values = [wave[j, ...] for j in range(parameters["ncomponents"])]
# Plot
fig = figure(figsize=imgsize)
for index, component in enumerate(values):
ax = fig.add_subplot(parameters["ncomponents"], 1, index + 1)
ax.ticklabel_format(style="sci", scilimits=(0, 0), axis="y")
if plotcomponents is True:
ax.plot(grid, real(component))
ax.plot(grid, imag(component))
ax.set_ylabel(r"$\Re \varphi_{%d}, \Im \varphi_{%d}$" %
(index, index))
if plotabssqr is True:
ax.plot(grid, real(component * conj(component)))
ax.set_ylabel(
r"$\langle \varphi_{%d} | \varphi_{%d} \rangle$" %
(index, index))
if plotphase is True:
plotcf(grid, angle(component),
real(component * conj(component)))
ax.set_ylabel(
r"$\langle \varphi_{%d} | \varphi_{%d} \rangle$" %
(index, index))
ax.set_xlabel(r"$x$")
# Set the aspect window
ax.set_xlim(view[:2])
ax.set_ylim(view[2:])
if "dt" in parameters:
fig.suptitle(r"$\Psi$ at time $%f$" % (step * parameters["dt"]))
else:
fig.suptitle(r"$\Psi$")
fig.savefig(
os.path.join(
path,
"wavefunction_block_%s_timestep_%07d.png" % (blockid, step)))
close(fig)
def plot_frames(PP, iom, blockid=0, eigentransform=False, timerange=None, view=None,
plotphase=True, plotcomponents=False, plotabssqr=False,
load=False, gridblockid=None, imgsize=(12, 9), path='.'):
"""Plot the wavepacket for a series of timesteps.
:param iom: An :py:class:`IOManager` instance providing the simulation data.
"""
parameters = iom.load_parameters()
BF = BlockFactory()
if not parameters["dimension"] == 1:
print("No one-dimensional wavepacket, silent return!")
return
if PP is None:
PP = parameters
if load is True:
if gridblockid is None:
gridblockid = blockid
print("Loading grid data from datablock '{}'".format(gridblockid))
G = iom.load_grid(blockid=gridblockid)
grid = real(G.reshape(-1))
else:
print("Creating new grid")
G = BlockFactory().create_grid(PP)
grid = real(G.get_nodes(flat=True).reshape(-1))
if eigentransform:
V = BF.create_potential(parameters)
BT = BasisTransformationHAWP(V)
timegrid = iom.load_wavepacket_timegrid(blockid=blockid)
if timerange is not None:
if len(timerange) == 1:
I = (timegrid == timerange)
else:
I = ((timegrid >= timerange[0]) & (timegrid <= timerange[1]))
if any(I):
timegrid = timegrid[I]
else:
raise ValueError("No valid timestep remains!")
# View
if view is not None:
if view[0] is None:
view[0] = grid.min()
if view[1] is None:
view[1] = grid.max()
for step in timegrid:
print(" Plotting frame of timestep # {}".format(step))
HAWP = iom.load_wavepacket(step, blockid=blockid)
# Transform the values to the eigenbasis
if eigentransform:
BT.transform_to_eigen(HAWP)
values = HAWP.evaluate_at(G.get_nodes(), prefactor=True, component=0)
# Plot
fig = figure(figsize=imgsize)
for index, component in enumerate(values):
ax = fig.add_subplot(parameters["ncomponents"], 1, index + 1)
ax.ticklabel_format(style="sci", scilimits=(0, 0), axis="y")
if plotcomponents is True:
ax.plot(grid, real(component))
ax.plot(grid, imag(component))
ax.set_ylabel(r"$\Re \varphi_{%d}, \Im \varphi_{%d}$" % (index, index))
if plotabssqr is True:
ax.plot(grid, real(component * conj(component)))
ax.set_ylabel(r"$\langle \varphi_{%d} | \varphi_{%d} \rangle$" % (index, index))
if plotphase is True:
plotcf(grid, angle(component), real(component * conj(component)))
ax.set_ylabel(r"$\langle \varphi_{%d} | \varphi_{%d} \rangle$" % (index, index))
ax.set_xlabel(r"$x$")
# Set the aspect window
ax.set_xlim(view[:2])
ax.set_ylim(view[2:])
if "dt" in parameters:
fig.suptitle(r"$\Psi$ at time $%f$" % (step * parameters["dt"]))
else:
fig.suptitle(r"$\Psi$")
fig.savefig(os.path.join(path, "wavepacket_block_%s_timestep_%07d.png" % (blockid, step)))
close(fig)
def plot_frames(PP, iom, blockid=0, view=None, plotphase=True, plotcomponents=False, plotabssqr=False, load=True, gridblockid=None, imgsize=(12,9)):
"""Plot the wave function for a series of timesteps.
:param iom: An :py:class:`IOManager` instance providing the simulation data.
:param view: The aspect ratio.
:param plotphase: Whether to plot the complex phase. (slow)
:param plotcomponents: Whether to plot the real/imaginary parts..
:param plotabssqr: Whether to plot the absolute value squared.
"""
parameters = iom.load_parameters()
if not parameters["dimension"] == 1:
print("No wavefunction of one space dimensions, silent return!")
return
if PP is None:
PP = parameters
if load is True:
print("Loading grid data from datablock 'global'")
if gridblockid is None:
gridblockid = blockid
G = iom.load_grid(blockid=gridblockid)
G = G.reshape((1, -1))
grid = G
else:
print("Creating new grid")
G = BlockFactory().create_grid(PP)
grid = G.get_nodes(flat=True)
timegrid = iom.load_wavefunction_timegrid(blockid=blockid)
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"]) ]
# Plot the probability densities projected to the eigenbasis
fig = figure(figsize=imgsize)
for index, component in enumerate(values):
ax = fig.add_subplot(parameters["ncomponents"],1,index+1)
ax.ticklabel_format(style="sci", scilimits=(0,0), axis="y")
if plotcomponents is True:
ax.plot(squeeze(grid), real(component))
ax.plot(squeeze(grid), imag(component))
ax.set_ylabel(r"$\Re \varphi_"+str(index)+r", \Im \varphi_"+str(index)+r"$")
if plotabssqr is True:
ax.plot(squeeze(grid), component*conj(component))
ax.set_ylabel(r"$\langle \varphi_"+str(index)+r"| \varphi_"+str(index)+r"\rangle$")
if plotphase is True:
plotcf(squeeze(grid), angle(component), component*conj(component))
ax.set_ylabel(r"$\langle \varphi_"+str(index)+r"| \varphi_"+str(index)+r"\rangle$")
ax.set_xlabel(r"$x$")
# Set the aspect window
if view is not None:
ax.set_xlim(view[:2])
ax.set_ylim(view[2:])
if parameters.has_key("dt"):
fig.suptitle(r"$\Psi$ at time $"+str(step*parameters["dt"])+r"$")
else:
fig.suptitle(r"$\Psi$")
fig.savefig("wavefunction_block"+str(blockid)+"_"+ (7-len(str(step)))*"0"+str(step) +GD.output_format)
close(fig)
print(" Plotting frames finished")
def plot_frames(PP,
iom,
blockid=0,
eigentransform=False,
timerange=None,
view=None,
plotphase=True,
plotcomponents=False,
plotabssqr=False,
load=False,
gridblockid=None,
imgsize=(12, 9),
path='.'):
"""Plot the wavepacket for a series of timesteps.
:param iom: An :py:class:`IOManager` instance providing the simulation data.
"""
parameters = iom.load_parameters()
BF = BlockFactory()
if not parameters["dimension"] == 1:
print("No one-dimensional wavepacket, silent return!")
return
if PP is None:
PP = parameters
if load is True:
if gridblockid is None:
gridblockid = blockid
print("Loading grid data from datablock '{}'".format(gridblockid))
G = iom.load_grid(blockid=gridblockid)
grid = real(G.reshape(-1))
else:
print("Creating new grid")
G = BlockFactory().create_grid(PP)
grid = real(G.get_nodes(flat=True).reshape(-1))
if eigentransform:
V = BF.create_potential(parameters)
BT = BasisTransformationHAWP(V)
timegrid = iom.load_wavepacket_timegrid(blockid=blockid)
if timerange is not None:
if len(timerange) == 1:
I = (timegrid == timerange)
else:
I = ((timegrid >= timerange[0]) & (timegrid <= timerange[1]))
if any(I):
timegrid = timegrid[I]
else:
raise ValueError("No valid timestep remains!")
# View
if view is not None:
if view[0] is None:
view[0] = grid.min()
if view[1] is None:
view[1] = grid.max()
for step in timegrid:
print(" Plotting frame of timestep # {}".format(step))
HAWP = iom.load_wavepacket(step, blockid=blockid)
# Transform the values to the eigenbasis
if eigentransform:
BT.transform_to_eigen(HAWP)
values = HAWP.evaluate_at(G.get_nodes(), prefactor=True, component=0)
# Plot
fig = figure(figsize=imgsize)
for index, component in enumerate(values):
ax = fig.add_subplot(parameters["ncomponents"], 1, index + 1)
ax.ticklabel_format(style="sci", scilimits=(0, 0), axis="y")
if plotcomponents is True:
ax.plot(grid, real(component))
ax.plot(grid, imag(component))
ax.set_ylabel(r"$\Re \varphi_{%d}, \Im \varphi_{%d}$" %
(index, index))
if plotabssqr is True:
ax.plot(grid, real(component * conj(component)))
ax.set_ylabel(
r"$\langle \varphi_{%d} | \varphi_{%d} \rangle$" %
(index, index))
if plotphase is True:
plotcf(grid, angle(component),
real(component * conj(component)))
ax.set_ylabel(
r"$\langle \varphi_{%d} | \varphi_{%d} \rangle$" %
(index, index))
ax.set_xlabel(r"$x$")
# Set the aspect window
ax.set_xlim(view[:2])
ax.set_ylim(view[2:])
if "dt" in parameters:
fig.suptitle(r"$\Psi$ at time $%f$" % (step * parameters["dt"]))
else:
fig.suptitle(r"$\Psi$")
fig.savefig(
os.path.join(
path,
"wavepacket_block_%s_timestep_%07d.png" % (blockid, step)))
close(fig)