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Merge branch 'main' into counterpoise_scaled_positions
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GaryLZW authored Oct 2, 2024
2 parents 793abb8 + c10c905 commit a7bef24
Showing 1 changed file with 6 additions and 3 deletions.
9 changes: 6 additions & 3 deletions carmm/analyse/graphs.py
Original file line number Diff line number Diff line change
Expand Up @@ -115,18 +115,21 @@ def set_graph_axes_heatmap(plt, x, y):

def plot_energy_profile(data, x_labels, **kwargs):
'''
Author: Igor Kowalec
This function is used for plotting solid+dashed line style reaction energy profiles, which often require manual
tweaking using other software.
Args:
Parameters:
data: dict
A dictionary of key-value pairs, where the keys are used as the title of the data series, and the values are
lists of floats to be plotted on the y-axis.
x_labels: list
A list of strings containing x-axis labels - intermediates, reaction steps etc.
**kwargs: dict
TODO: Consult what is useful, write them out
%% These variables should be optional in the function call. Then the defaults are clear.
This is passthrough for all other variables. The following are pulled from
if they exist (otherwise defaults are used):
font_size; figsize; colours; linestyles; linestyle; x_labels_rotation; x_axis_title; y_axis_title; legend_xy_offset
Returns:
matplotlib.pyplot
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