From 233cdd9f80fb717c4e18869cd6e1a45aa0e81cc1 Mon Sep 17 00:00:00 2001 From: Dominik Demuth Date: Wed, 10 May 2023 17:09:11 +0200 Subject: [PATCH] add gnuplot to requirements for plots of FC reading --- AppImageBuilder.yml | 3 ++- src/nmreval/io/fcbatchreader.py | 25 ++++++++++++++++++++++++- 2 files changed, 26 insertions(+), 2 deletions(-) diff --git a/AppImageBuilder.yml b/AppImageBuilder.yml index 80b4572..fb8b178 100644 --- a/AppImageBuilder.yml +++ b/AppImageBuilder.yml @@ -41,6 +41,7 @@ AppDir: # - zsync # - hicolor-icon-theme - libatlas3-base + - gnuplot-nox - python3.9-minimal - python3-numpy - python3-scipy @@ -70,7 +71,7 @@ AppDir: - usr/share/doc/*/README.* - usr/share/doc/*/changelog.* - usr/share/doc/*/NEWS.* - - usr/share/doc/*/TODO.}* + - usr/share/doc/*/TODO.* runtime: # if needed, apparently replaces hardcoded location with APPDIR location # path_mappings: diff --git a/src/nmreval/io/fcbatchreader.py b/src/nmreval/io/fcbatchreader.py index b3168cf..f221bfe 100644 --- a/src/nmreval/io/fcbatchreader.py +++ b/src/nmreval/io/fcbatchreader.py @@ -1,6 +1,8 @@ from __future__ import annotations import pathlib +import subprocess +import tempfile # import matplotlib.pyplot as plt from scipy.optimize import curve_fit @@ -178,6 +180,7 @@ class FCReader: fit_path.mkdir(parents=True, exist_ok=True) if save_fig: + data_path = fname_no_ext.joinpath('data') image_path = fname_no_ext.joinpath('png') image_path.mkdir(parents=True, exist_ok=True) @@ -209,7 +212,7 @@ class FCReader: except KeyError: 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)) yplot = FCReader.kww(xplot, *p0) 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], 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: # fig, ax = plt.subplots() # ax.set_xlabel('t / s')