From 21d4d1b52c60a345ca130f289a2b223e6f877922 Mon Sep 17 00:00:00 2001 From: Carlos Bornes Date: Thu, 7 Nov 2024 20:20:56 +0100 Subject: [PATCH] Update bruker_2d Added return_fig to bruker_2d --- src/spinplots/plot.py | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/src/spinplots/plot.py b/src/spinplots/plot.py index e4ea4a7..45799ce 100644 --- a/src/spinplots/plot.py +++ b/src/spinplots/plot.py @@ -5,7 +5,7 @@ import numpy as np from matplotlib import cm -def bruker2d(data_path, contour_start, contour_num, contour_factor, cmap=None, xlim=None, ylim=None, save=False, filename=None, format=None, diag=None, homo=False): +def bruker2d(data_path, contour_start, contour_num, contour_factor, cmap=None, xlim=None, ylim=None, save=False, filename=None, format=None, diag=None, homo=False, return_fig=False): """ Plots a 2D NMR spectrum from Bruker data. @@ -24,6 +24,7 @@ def bruker2d(data_path, contour_start, contour_num, contour_factor, cmap=None, x format (str): The format to save the file in. diag (float or None): Slope of the diagonal line/None. homo (bool): True if doing homonuclear experiment. + return_fig (bool): Whether to return the figure and axis. Example: bruker2d('data/2d_data', 0.1, 10, 1.2, cmap='viridis', xlim=(0, 100), ylim=(0, 100), save=True, filename='2d_spectrum', format='png', diag=True) @@ -109,6 +110,9 @@ def bruker2d(data_path, contour_start, contour_num, contour_factor, cmap=None, x else: full_filename = "2d_nmr_spectrum." + format plt.savefig(full_filename, format=format, dpi=300, bbox_inches='tight', pad_inches=0.1) + + if return_fig: + return ax else: plt.show() @@ -295,4 +299,4 @@ def bruker1d_grid(data_paths, labels=None, subplot_dims=(1, 1), xlim=None, save= elif return_fig: return fig, axes else: - plt.show() \ No newline at end of file + plt.show()