def get_plot(
self,
plot_fd_tols: bool = False,
plot_total_rate: bool = False,
ymin: float = None,
ymax: float = None,
xmin: float = None,
xmax: float = None,
normalize_energy: bool = True,
separate_rates: bool = True,
doping_idx=0,
temperature_idx=0,
legend=True,
total_color=None,
show_dfde=False,
plot_type="rate",
title=True,
axes=None,
style=None,
no_base_style=False,
fonts=None,
):
if normalize_energy and self.is_metal:
norm_e = self.fermi_levels[0][0]
elif normalize_energy:
cb_idx = {s: v + 1 for s, v in self.vb_idx.items()}
norm_e = np.max([self.energies[s][: cb_idx[s]] for s in self.spins])
else:
norm_e = 0
if doping_idx is None and len(self.doping) == 1:
doping_idx = 0
if temperature_idx is None and len(self.temperatures) == 1:
temperature_idx = 0
if doping_idx is None and temperature_idx is None:
ny = len(self.doping)
nx = len(self.temperatures)
p_idx = [[(x, y) for y in range(nx)] for x in range(ny)]
elif doping_idx is None:
nx = len(self.doping)
ny = 1
p_idx = [[(x, temperature_idx) for x in range(nx)]]
elif temperature_idx is None:
nx = len(self.temperatures)
ny = 1
p_idx = [[(doping_idx, x) for x in range(nx)]]
else:
nx = 1
ny = 1
p_idx = [[(doping_idx, temperature_idx)]]
if axes is None:
_, axes = plt.subplots(ny, nx, figsize=get_figsize(ny, nx))
for y_idx, p_x_idx in enumerate(p_idx):
for x_idx, (n, t) in enumerate(p_x_idx):
if nx == 1 and ny == 1:
ax = axes
elif ny == 1:
ax = axes[x_idx]
else:
ax = axes[y_idx, x_idx]
if x_idx == nx - 1 and y_idx == ny - 1 and legend:
show_legend = True
else:
show_legend = False
doping_fmt = fancy_format_doping(self.doping[n])
temp_fmt = fancy_format_temp(self.temperatures[t])
title_str = f"{doping_fmt} {temp_fmt}"
self.plot_rates_to_axis(
ax,
n,
t,
plot_type=plot_type,
separate_rates=separate_rates,
plot_total_rate=plot_total_rate,
plot_fd_tols=plot_fd_tols,
ymin=ymin,
ymax=ymax,
xmin=xmin,
xmax=xmax,
show_legend=show_legend,
legend_kwargs=_legend_kwargs,
normalize_energy=norm_e,
total_color=total_color,
show_dfde=show_dfde,
)
if title:
ax.set(title=title_str)
return plt
def plot_property(
self,
ax,
prop,
x_property=None,
doping_type=None,
temperature_idx=None,
doping_idx=None,
ylabel=None,
ymin=None,
ymax=None,
logy=None,
xlabel=None,
xmin=None,
xmax=None,
logx=None,
labels=None,
):
if temperature_idx is None and doping_idx is None:
raise ValueError(
"Either one of temperature-idx or doping-idx must be set")
if temperature_idx is None:
temperature_idx = np.arange(self.temperatures.shape[0])
elif isinstance(temperature_idx, int):
temperature_idx = [temperature_idx]
temperatures = self.temperatures[temperature_idx]
if doping_idx is None:
doping_idx = np.arange(self.doping.shape[0])
elif isinstance(doping_idx, int):
doping_idx = [doping_idx]
if doping_type == "n":
doping_idx = [i for i in doping_idx if self.doping[i] <= 0]
elif doping_type == "p":
doping_idx = [i for i in doping_idx if self.doping[i] >= 0]
doping = self.doping[doping_idx]
if len(doping_idx) != 1 and len(temperature_idx) != 1:
raise ValueError(
"A specific temperature or doping index must be chosen")
data = self._get_data(prop)
if x_property is None and len(temperatures) == 1:
x_property = "doping"
elif x_property is None:
x_property = "temperature"
y = np.squeeze(data[:, doping_idx][:, :, temperature_idx])
if x_property == "doping":
annotation = fancy_format_temp(temperatures[0])
x = doping
elif x_property == "temperature":
annotation = fancy_format_doping(doping[0])
x = temperatures
y = y
else:
raise ValueError(f"Unknown x_property: {x_property}")
if np.any((x > 0) & (x < 0)):
raise ValueError(
"Cannot plot n- and p- type properties on the same figure."
"Use doping-idx to select doping indices")
x = np.abs(x)
if labels is None:
labels = [str(i) for i in range(self.n)]
elif len(labels) != self.n:
raise ValueError("Number of labels does not match number of data")
cmap = cm.get_cmap("viridis_r")
colors = cmap(np.linspace(0.05, 1, len(y)))
for yi, label, color in zip(y, labels, colors):
ax.plot(x, yi, label=label, c=color)
ylabel = ylabel if ylabel else property_data[prop][self.label_key]
xlabel = xlabel if xlabel else property_data[x_property][
self.label_key]
logy = logy if logy is not None else property_data[prop]["log"]
logx = logx if logx is not None else property_data[x_property]["log"]
ylim = get_lim(y, ymin, ymax, logy, self.pad)
xlim = get_lim(x, xmin, xmax, logx, self.pad)
if logy:
ax.semilogy()
if logx:
ax.semilogx()
ax.set(ylabel=ylabel, xlabel=xlabel, ylim=ylim, xlim=xlim)
return annotation
def plot_mobility(
self,
ax,
x_property,
primary_idx,
secondary_idxs,
xlabel=None,
xmin=None,
xmax=None,
logx=None,
ylabel=None,
ymin=None,
ymax=None,
logy=None,
title=True,
total_color=None,
):
if x_property == "temperature":
labels, y = self._get_data(primary_idx, secondary_idxs)
x = self.temperatures[secondary_idxs]
title_str = fancy_format_doping(self.doping[primary_idx])
elif x_property == "doping":
labels, y = self._get_data(secondary_idxs, primary_idx)
x = self.doping[secondary_idxs]
if np.any(x < 0) and np.any(x > 0):
warnings.warn(
"You are plotting both n- and p-type carrier concentrations on the "
"same figure. Try using the --n-type and --p-type options instead."
)
x = np.abs(self.doping[secondary_idxs])
title_str = fancy_format_temp(self.temperatures[primary_idx])
else:
raise ValueError(f"Unrecognised x_property: {x_property}")
for i, (yi, label) in enumerate(zip(y, labels)):
label = label.replace("overall", "total")
if label == "total":
color = base_total_color if total_color is None else total_color
else:
color = f"C{i}"
if self.average:
ax.plot(x, yi, label=label, c=color)
else:
for j in range(3):
ax.plot(
x,
yi[:, j],
label=f"{dir_mapping[j]} {label}",
c=color,
ls=ls_mapping[j],
)
ylabel = ylabel if ylabel else _property_data["mobility"][
self.label_key]
xlabel = xlabel if xlabel else _property_data[x_property][
self.label_key]
logy = logy if logy is not None else _property_data["mobility"]["log"]
logx = logx if logx is not None else _property_data[x_property]["log"]
ylim = get_lim(y, ymin, ymax, logy, self.pad)
xlim = get_lim(x, xmin, xmax, logx, self.pad)
if logy:
ax.semilogy()
if logx:
ax.semilogx()
if not title:
title_str = None
ax.set(ylabel=ylabel,
xlabel=xlabel,
ylim=ylim,
xlim=xlim,
title=title_str)