diff --git a/notebooks/AGIPD/AGIPD_Correct_and_Verify.ipynb b/notebooks/AGIPD/AGIPD_Correct_and_Verify.ipynb index 1eabbfbda7bae774b2ed215cbf2640b52df48a4a..4feebe7a40e57f040dcb8bac6a9e99153c6e1cb2 100644 --- a/notebooks/AGIPD/AGIPD_Correct_and_Verify.ipynb +++ b/notebooks/AGIPD/AGIPD_Correct_and_Verify.ipynb @@ -1631,6 +1631,7 @@ } ], "metadata": { + "euxfel_not_reproducible_params": ["slopes_ff_from_path"], "kernelspec": { "display_name": "Python 3", "language": "python", diff --git a/src/xfel_calibrate/nb_args.py b/src/xfel_calibrate/nb_args.py index 45833dccfbb582c867e72de65d2b6f563969dad5..98fe0feb174e3895944c04a9134c5b05b4aaa4cd 100644 --- a/src/xfel_calibrate/nb_args.py +++ b/src/xfel_calibrate/nb_args.py @@ -469,6 +469,7 @@ def parse_argv_and_load_nb(argv) -> Tuple[Dict, NBDetails]: extend_params(nb, ext_func, argv) default_params = extract_parameters(nb, lang='python') + default_values = {p.name: p.value for p in default_params} parser = make_initial_parser() parser.description = make_epilog(nb) @@ -476,6 +477,19 @@ def parse_argv_and_load_nb(argv) -> Tuple[Dict, NBDetails]: arg_dict = deconsolize_args(vars(parser.parse_args(argv[1:]))) + not_reproducible_params = [ + p for p in nb.metadata.get("euxfel_not_reproducible_params", []) + if p in arg_dict and arg_dict[p] != default_values[p] + ] + if not_reproducible_params: + print(f"WARNING: you have specified parameters ({', '.join(not_reproducible_params)}) " + f"which may interfere with reproducibility, potentially making it " + f"impossible to reconstruct the resulting data in the future.") + if not args.not_reproducible: + sys.exit("To continue anyway, re-run the command with the " + "--not-reproducible flag.") + + user_venv = nb_info.get("user", {}).get("venv") if user_venv is not None: user_venv = Path(user_venv.format(**arg_dict))