Add CI for peptides and clean-up folder structure #14
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…ity to reproduce the paper data
… format for time series data
Run the testsuite with `make tests`, now that target `tests` is free.
Write temporary files in a temporary folder instead of the git root
folder when running the testsuite. Avoid tqdm progress bars when the
loop body calls a function that uses a progress bar. Use f-strings.
Avoid use of unsafe os.system(f"rm {time_series_folder_path}/*"),
and prefer the more interoperable subprocess.check_output() instead,
which also checks for error codes and automatically escapes strings.
Fix typos and remove trailing whitespace characters.
jngrad
approved these changes
Mar 8, 2024
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Fixes #3 and #8. List of changes:
samples/Beyer2024/peptide.pysamples/Beyer2024/create_paper_data.py@jngrad I would appreciate your opinion in the framework for the CI test and to reproduce the data of the paper. If you think is sensible, we could use it as template for the tests for globular proteins and polyelectrolytes in dialysis.