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add gnuplot to requirements for plots of FC reading

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This commit is contained in:
Dominik Demuth 2023-05-10 17:09:11 +02:00
parent 15c959fd71
commit 233cdd9f80
2 changed files with 26 additions and 2 deletions
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3
AppImageBuilder.yml
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@ -41,6 +41,7 @@ AppDir:
# - zsync # - zsync
# - hicolor-icon-theme # - hicolor-icon-theme
- libatlas3-base - libatlas3-base
- gnuplot-nox
- python3.9-minimal - python3.9-minimal
- python3-numpy - python3-numpy
- python3-scipy - python3-scipy
@ -70,7 +71,7 @@ AppDir:
- usr/share/doc/*/README.* - usr/share/doc/*/README.*
- usr/share/doc/*/changelog.* - usr/share/doc/*/changelog.*
- usr/share/doc/*/NEWS.* - usr/share/doc/*/NEWS.*
- usr/share/doc/*/TODO.}* - usr/share/doc/*/TODO.*
runtime: runtime:
# if needed, apparently replaces hardcoded location with APPDIR location # if needed, apparently replaces hardcoded location with APPDIR location
# path_mappings: # path_mappings:

25
src/nmreval/io/fcbatchreader.py
View File

@ -1,6 +1,8 @@
from __future__ import annotations from __future__ import annotations
import pathlib import pathlib
import subprocess
import tempfile
# import matplotlib.pyplot as plt # import matplotlib.pyplot as plt
from scipy.optimize import curve_fit from scipy.optimize import curve_fit
@ -178,6 +180,7 @@ class FCReader:
fit_path.mkdir(parents=True, exist_ok=True) fit_path.mkdir(parents=True, exist_ok=True)
if save_fig: if save_fig:
data_path = fname_no_ext.joinpath('data')
image_path = fname_no_ext.joinpath('png') image_path = fname_no_ext.joinpath('png')
image_path.mkdir(parents=True, exist_ok=True) image_path.mkdir(parents=True, exist_ok=True)
@ -209,7 +212,7 @@ class FCReader:
except KeyError: except KeyError:
self.f_params[k] = [new_entry] self.f_params[k] = [new_entry]
if save_fits or save_fig: if True: # save_fits or save_fig:
xplot = np.geomspace(v.x[0], v.x[-1], num=10*len(v.x)) xplot = np.geomspace(v.x[0], v.x[-1], num=10*len(v.x))
yplot = FCReader.kww(xplot, *p0) yplot = FCReader.kww(xplot, *p0)
save_name = f'{filename.stem}_{k:011.2f}'.replace('.', 'p') + '.dat' save_name = f'{filename.stem}_{k:011.2f}'.replace('.', 'p') + '.dat'
@ -218,6 +221,26 @@ class FCReader:
np.savetxt(fit_path.joinpath(save_name), np.c_[xplot, yplot], np.savetxt(fit_path.joinpath(save_name), np.c_[xplot, yplot],
header=header+'\t'.join([f'{p}+/-{err}' for p, err in zip(p0, perr)])) header=header+'\t'.join([f'{p}+/-{err}' for p, err in zip(p0, perr)]))
img_file = image_path.joinpath(save_name).with_suffix(".png")
gnuplot_args = [
'gnuplot',
'-e',
'set terminal png',
f'set output "{img_file}"',
f'set title "f = {k:.4g} Hz\n{p0[2]:.4g}(+/-{perr[2]:.4g}) beta: {p0[3]:.4g}(+/-{perr[3]:.4g})"',
'set xlabel "t / s"',
'set logscale x',
'set format x "10^{{%L}}"',
'set ylabel "M"',
'set key off',
f'plot "{data_path.joinpath(save_name)}" with points pointtype 5, "{fit_path.joinpath(save_name)}" with lines',
]
print(gnuplot_args)
subprocess.Popen(gnuplot_args)
# if save_fig: # if save_fig:
# fig, ax = plt.subplots() # fig, ax = plt.subplots()
# ax.set_xlabel('t / s') # ax.set_xlabel('t / s')