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Update COOP-plotting function

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This commit is contained in:
rasmusthog 2022-10-12 21:07:22 +02:00
parent 2deb640b3d
commit c2477bfd99
2 changed files with 14 additions and 10 deletions
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18
nafuma/dft/electrons.py
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@ -786,12 +786,10 @@ def prettify_dos_plot(fig, ax, options):
def plot_coop(plot_data, options):
def plot_coop(data, options):
''' interactions = list with number of interaction (index + 1 of interactions list from read_coop)'''
required_options = ['plot_kind', 'mode', 'up', 'down', 'collapse', 'interactions', 'flip_xy', 'fill', 'colours', 'palettes']
default_options = {
'plot_kind': 'COOP',
'mode': 'individual',
@ -806,17 +804,17 @@ def plot_coop(plot_data, options):
}
options = update_options(options=options, required_options=required_options, default_options=default_options)
options = aux.update_options(options=options, default_options=default_options)
fig, ax = prepare_plot(options=options)
fig, ax = btp.prepare_plot(options=options)
coopcar, coop_interactions = dft.io.read_coop(plot_data=plot_data, options=options)
coopcar, coop_interactions = dft.io.read_coop(data=data, options=options)
if not options['colours']:
colour_cycle = generate_colours(palettes=options['palettes'])
colour_cycle = btp.generate_colours(palettes=options['palettes'])
colours = []
for interaction in range(len(coop_interactions)):
@ -894,6 +892,8 @@ def plot_coop(plot_data, options):
to_plot = ['mean_down']
# Plot all columns as decided above
for j, column in enumerate(to_plot):
if options['fill']:
@ -912,9 +912,9 @@ def plot_coop(plot_data, options):
else:
coopcar.plot(x='Energy', y=column, ax=ax, color=colour)
prettify_dos_plot(fig=fig, ax=ax, options=options)
fig, ax = btp.adjust_plot(fig=fig, ax=ax, options=options)
return coopcar
return coopcar, fig, ax

6
nafuma/dft/io.py
View file

@ -94,7 +94,8 @@ def read_coop(data={}, options={}):
required_options = ['collapse']
default_options = {
'collapse': False
'collapse': False,
'adjust': None,
}
@ -128,6 +129,9 @@ def read_coop(data={}, options={}):
coopcar.columns = columns
if options['adjust']:
coopcar['Energy'] = coopcar['Energy'] - options['adjust']
if options['collapse']: