From 6adc6b7ab7753bb6bdea4e8690f92f00f51fab59 Mon Sep 17 00:00:00 2001
From: Philipp Schmidt <philipp.schmidt@xfel.eu>
Date: Thu, 21 Oct 2021 11:00:11 +0200
Subject: [PATCH] Add warning to xfel-calibrate if configuration may cause
result to not be reproducible
---
src/xfel_calibrate/calibrate.py | 29 +++++++++++++++++++++++++++++
1 file changed, 29 insertions(+)
diff --git a/src/xfel_calibrate/calibrate.py b/src/xfel_calibrate/calibrate.py
index 5b0198db6..a19663148 100755
--- a/src/xfel_calibrate/calibrate.py
+++ b/src/xfel_calibrate/calibrate.py
@@ -985,6 +985,34 @@ def run():
caltype = args["type"].upper()
sequential = args["no_cluster_job"]
+ # Pick out any arguments that may prevent reproducibility from
+ # working, sorted alphabetically and converted back to their
+ # canonical representation.
+ not_reproducible_args = sorted(
+ ('--' + x.replace('_', '-')
+ for x in ['skip_report', 'skip_env_freeze']
+ if args[x]))
+
+ # If any of these arguments are set, present a warning.
+ if not_reproducible_args:
+ print('WARNING: One or more command line arguments ({}) may prevent '
+ 'this specific correction result from being reproducible based '
+ 'on its metadata. It may not be possible to restore identical '
+ 'output data files when they have been deleted or lost. Please '
+ 'ensure that the data retention policy of the chosen storage '
+ 'location is sufficient for your '
+ 'needs.'.format(', '.join(not_reproducible_args)))
+
+ try:
+ input('Press ENTER to continue or CTRL+C to abort...')
+ except KeyboardInterrupt:
+ # Catch the interrupt and silently exit.
+ sys.exit(0)
+
+ reproducible = False
+ else:
+ reproducible = True
+
try:
nb_info = notebooks[detector][caltype]
except KeyError:
@@ -1100,6 +1128,7 @@ def run():
metadata["pycalibration-version"] = version
metadata["report-path"] = f"{report_to}.pdf" if report_to \
else '# REPORT SKIPPED #'
+ metadata['reproducible'] = reproducible
metadata["concurrency"] = {
'parameter': concurrency_par,
'default': concurrency_defval,
--
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