forked from aramakus/AC4DC
-
Notifications
You must be signed in to change notification settings - Fork 1
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- Loading branch information
1 parent
ca0a861
commit a4d5863
Showing
13 changed files
with
1,084 additions
and
205 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,3 +1,3 @@ | ||
| Version 2: T.N.T. | ||
| Totally Non-Thermal electron plasma simulation | ||
| Alexander Koszlov and Alaric Sanders 2020 | ||
| Version 3: [Acronym] | ||
| [Name] | ||
| Alexander Koszlov, Alaric Sanders and Spencer Passmore 2024 |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,117 @@ | ||
| # Comparing all elements between two simulations. | ||
|
|
||
| import matplotlib | ||
| matplotlib.use("pgf") | ||
| matplotlib.rcParams.update({ | ||
| "pgf.texsystem": "pdflatex", | ||
| 'font.family': 'serif', | ||
| 'font.size': 10, | ||
| 'text.usetex': True, | ||
| 'pgf.rcfonts': False, | ||
| }) | ||
| import matplotlib.pyplot as plt | ||
| import numpy as np | ||
| from plotter_core import Plotter | ||
| import sys, traceback | ||
| import os.path as path | ||
| import os | ||
| from QoL import set_highlighted_excepthook | ||
|
|
||
| OCCUPANCY = True # ONLY IMPLEMENTED FOR PLOT MODE 1 CURRENTLY | ||
| CHARGE_DIFFERENCE = False # Set True if want initially ionised species' traces to start from origin | ||
| PLOT_DERIVATIVE = False # Plot the rate of avg charge gain | ||
| #YLIM = [0,8] | ||
| PLOT_MODE = 1 # 1: plot element total charges # 2: plot orbital charges | ||
| YLIM = [0,None] | ||
| SCALE = 6 | ||
| FIGWIDTH = SCALE*2/3 | ||
| FIGHEIGHT = SCALE/2 | ||
| #XLIM = [None,None] | ||
| XLIM = [None,None] | ||
| #YLIM=[0,6] | ||
| #YLIM=[20,24] | ||
|
|
||
| ATOM = "C" | ||
| #ATOMS = ("Cr_LDA",) | ||
|
|
||
| CUSTOM_LEGEND = None | ||
| #CUSTOM_LEGEND=("1s: CNO","2s: CNO","2p: CNO","1s: CNO,S,Gd","2s: CNO,S,Gd","2p: CNO,S,Gd") | ||
| #CUSTOM_LEGEND = ("Primary ionization only", "All ionization",) | ||
| def main(): | ||
| set_highlighted_excepthook() | ||
|
|
||
|
|
||
| # Basic num arguments check | ||
| assert len(sys.argv[1:]) > 0, "Usage: python compare_ion.py <sim_handle_1> <sim_handle_2> ..." | ||
|
|
||
| molecular_path = path.abspath(path.join(__file__ ,"../../output/__Molecular/")) + "/" | ||
| dname_Figures = "../../output/_Graphs/plots/" | ||
| dname_Figures = path.abspath(path.join(__file__ ,dname_Figures)) + "/" | ||
| valid_folder_names= True | ||
| for i, data_folder in enumerate(sys.argv[1:]): | ||
| if not path.isdir(molecular_path+data_folder): | ||
| valid_folder_names = False | ||
| print("\033[91mInput error\033[0m (argument \033[91m"+str(i)+ "\033[0m): folder name not found.") | ||
| assert valid_folder_names, "One or more arguments (directory names) were not present in the output folder." | ||
| data_folders = sys.argv[1:] | ||
| label = data_folders[0] + "_"+data_folders[1] | ||
| make_some_plots(data_folders,molecular_path,label,dname_Figures,plot_derivative=PLOT_DERIVATIVE) | ||
|
|
||
| def make_some_plots(mol_names,sim_output_parent_dir, label,figure_output_dir,plot_derivative = False): | ||
| ''' | ||
| Arguments: | ||
| mol_name: The name of the folder containing the simulation's data (the csv files). (By default this is the stem of the mol file.) | ||
| sim_data_parent_dir: absolute path to the folder containing the folders specified by target_handles. | ||
| ''' | ||
|
|
||
| ############ | ||
| # File/directory names | ||
| ####### | ||
| figures_ext = "" #.png | ||
| for plot_mode in (PLOT_MODE,): | ||
| fig, axs = plt.subplots(3, 3, sharey=True, facecolor='w') | ||
|
|
||
|
|
||
|
|
||
| cmap = plt.get_cmap("Dark2") | ||
|
|
||
| # Hacky way to get overlaid plots TODO | ||
| pl = Plotter(mol_names[0],sim_output_parent_dir) | ||
| pl.setup_axes(1) | ||
| for m, mol_name in enumerate(mol_names): | ||
| pl.__init__(mol_name,sim_output_parent_dir) | ||
| pl.num_plotted = 0 # ƪ（˘へ˘ ƪ） | ||
| if plot_mode == 1: | ||
| colours = [cmap(m)] | ||
| pl.plot_tot_charge(every=1,colours = colours,atoms = [ATOM],plot_legend=(m==0),xlim=XLIM,ylim=YLIM,charge_difference=CHARGE_DIFFERENCE,plot_derivative=PLOT_DERIVATIVE,occupancy=OCCUPANCY) | ||
|
|
||
| if plot_mode == 2: | ||
| ax = pl.plot_orbitals_charge(every=1,atom = ATOM,plot_legend=False,xlim=XLIM,ylim=YLIM,plot_derivative=PLOT_DERIVATIVE) | ||
|
|
||
|
|
||
| ax = pl.axs[0][0] | ||
| if CUSTOM_LEGEND is None: | ||
| ax.legend(bbox_to_anchor=(1.02, 1),loc='upper left', ncol=1,handlelength=1) # Top right legend. | ||
| else: | ||
| handles,_ = ax.get_legend_handles_labels() | ||
| handles = list(handles) | ||
| assert len(CUSTOM_LEGEND)==len(handles) | ||
| ax.legend(handles,CUSTOM_LEGEND,bbox_to_anchor=(1.02, 1),loc='upper left', ncol=1,handlelength=1) | ||
| plt.gcf().set_figwidth(FIGWIDTH) | ||
| plt.gcf().set_figheight(FIGHEIGHT) | ||
| #plt.gcf().tight_layout() | ||
| #plt.tight_layout() | ||
|
|
||
| if plot_mode == 1: | ||
| qualifier = f"_{ATOM}-Comp" | ||
| if plot_mode == 2: | ||
| qualifier = f"_{ATOM}-OrbsComp" | ||
| if PLOT_DERIVATIVE: | ||
| qualifier+="-deriv" | ||
| plt.savefig(figure_output_dir + label +qualifier + figures_ext,bbox_inches='tight') | ||
| plt.close() | ||
|
|
||
| if __name__ == "__main__": | ||
| main() | ||
|
|
||
| #TODO: Change size to match my screen by default, add --y option |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Oops, something went wrong.