From 86a2ae2379dfcc71e5761a215b4ba2179a7b96e6 Mon Sep 17 00:00:00 2001 From: rasmusvt Date: Tue, 22 Mar 2022 20:25:53 +0100 Subject: [PATCH] Fix bug to iterate correctly through filenames --- beamtime/xrd/io.py | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/beamtime/xrd/io.py b/beamtime/xrd/io.py index 3e29b80..16991a2 100644 --- a/beamtime/xrd/io.py +++ b/beamtime/xrd/io.py @@ -40,10 +40,11 @@ def integrate_1d(data, options={}, index=0): df: DataFrame contianing 1D diffractogram if option 'return' is True ''' - required_options = ['unit', 'save', 'save_filename', 'save_extension', 'save_folder', 'overwrite'] + required_options = ['unit', 'nbins', 'save', 'save_filename', 'save_extension', 'save_folder', 'overwrite'] default_options = { 'unit': '2th_deg', + 'nbins': 3000, 'save': False, 'save_filename': None, 'save_extension': '_integrated.xy', @@ -64,17 +65,17 @@ def integrate_1d(data, options={}, index=0): ai = pyFAI.load(data['calibrant']) # Determine filename - filename = make_filename(data=data, options=options) + filename = make_filename(options=options, path=data['path'][index]) # Make save_folder if this does not exist already if not os.path.isdir(options['save_folder']): os.makedirs(options['save_folder']) - res = ai.integrate1d(data['image'], data['nbins'], unit=options['unit'], filename=filename) + res = ai.integrate1d(data['image'], options['nbins'], unit=options['unit'], filename=filename) data['path'][index] = filename - diffractogram, wavelength = read_xy(data=data, options=options) + diffractogram, wavelength = read_xy(data=data, options=options, index=index) if not options['save']: os.remove(filename) @@ -98,7 +99,7 @@ def make_filename(options, path=None): # If a path is given instead of an image array, the path is taken as the trunk of the savename if path: # Make filename by joining the save_folder, the filename (with extension deleted) and adding the save_extension - filename = os.path.join(options['save_folder'], os.path.split(data['path'])[-1].split('.')[0] + options['save_extension']) + filename = os.path.join(options['save_folder'], os.path.split(path)[-1].split('.')[0] + options['save_extension']) else: # Make filename just "integrated.dat" in the save_folder filename = os.path.join(options['save_folder'], 'integrated.xy') @@ -403,6 +404,8 @@ def translate_wavelengths(data, wavelength, to_wavelength=None): def find_wavelength_from_xy(path): + print(path) + wavelength_dict = {'Cu': 1.54059, 'Mo': 0.71073}