def get_plot(plot_obj: plt, data: List[IContainer]) -> (Figure, Subplot):
"""Returns plt object"""
# Data
labeled_dict = {}
for collection in data:
if collection.label not in labeled_dict:
labeled_dict[collection.label] = list()
labeled_dict[collection.label].append(collection)
fig, ax = plot_obj.subplots()
# Set plot layout
ax.title.set_text(
"Expectation value for different noise models and molecule parameters"
) # Title "Eigen Energy depending on Noise Channel"
ax.set_xlabel("Interatomic Distance [$\AA$]") # X axis label
ax.set_ylabel("Energy (Hartree) [$a.u.$]") # Y axis label
# Set plot points
reference_key = None
for key in labeled_dict.keys():
reference_key = key
x = [collection.molecule_param for collection in labeled_dict[key]]
y = [collection.measured_value for collection in labeled_dict[key]]
e = [collection.measured_std for collection in labeled_dict[key]]
ax.errorbar(x, y, yerr=e, linestyle='None', marker='^',
label=key) # "STO-3G"
x = [
collection.molecule_param for collection in labeled_dict[reference_key]
]
f = [collection.fci_value for collection in labeled_dict[reference_key]]
h = [collection.hf_value for collection in labeled_dict[reference_key]]
ax.plot(x, f, 'o', label="fci energy")
ax.plot(x, h, 'o', label="HF energy")
ax.legend(loc=0)
return fig, ax
def generate(self, plot: pyplot, data: Any) -> None:
stages = {row[0]: True for row in data}.keys()
compilers = {row[1]: True for row in data}.keys()
parameters = {row[2]: True for row in data}.keys()
matplotlib.rcParams.update({'figure.autolayout': True})
number_of_stages = len(stages)
figure, axes_list = plot.subplots(1, number_of_stages)
# Change the height to be three fourths that of the original height as
# it becomes very narrow otherwise
figure_width, figure_height = figure.get_size_inches()
figure.set_size_inches(figure_width, figure_height * 0.75)
colors = [
"#e6194B", "#3cb44b", "#4363d8", "#f58231", "#469990", "#800000",
"#9A6324", "#000075"
]
for i, stage in enumerate(stages):
axes = axes_list[i]
for j, parameter in enumerate(parameters):
for k, compiler in enumerate(compilers):
specific_data = [
[row[0], row[3], row[4]] for row in data
if (row[1] == compiler and row[2] == parameter
and row[0] == stage)
]
yy = [row[2] for row in specific_data]
axes.plot(range(1,
len(yy) + 1),
yy,
marker='.',
color=colors[j * 2 + k])
labels = [pow(2, i) for i in range(0, len(yy))]
axes.xaxis.set_major_locator(
ticker.FixedLocator(range(1,
len(labels) + 1)))
axes.set_xticklabels(labels=labels, fontsize=7)
for tick in axes.yaxis.get_major_ticks():
tick.label.set_fontsize(7)
axes.set_title(stage, fontsize=7)
axes_list[0].set_ylabel("Throughput")
figure.text(0.5, 0, "Number of Threads", ha="center")
legend = []
for parameter in parameters:
for compiler in compilers:
if parameter == "":
legend.append(compiler)
else:
legend.append(compiler + "-" + parameter)
figure.suptitle("", fontsize=10)
figure.legend(legend,
bbox_to_anchor=(.5, 1),
loc="upper center",
fontsize=7,
ncol=len(legend))
return figure