From 8bebf4d9c83a649b6a71aca9297b95ee078d15f8 Mon Sep 17 00:00:00 2001 From: Calvin Date: Wed, 13 Dec 2023 19:21:57 +0200 Subject: [PATCH] trsh logic change in run_job func call this is to ensure that the dictionary in args['trsh'] is passed through the function correctly and to stop ['', '', 'nosymm'] syntax error . . --- arc/scheduler.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/arc/scheduler.py b/arc/scheduler.py index 9e133767d4..e6fe1ae784 100644 --- a/arc/scheduler.py +++ b/arc/scheduler.py @@ -735,7 +735,7 @@ def run_job(self, reactions: Optional[List['ARCReaction']] = None, scan_trsh: Optional[str] = '', shift: Optional[str] = '', - trsh: Optional[str] = '', + trsh: Optional[Union[str, dict, list]] = None, torsions: Optional[List[List[int]]] = None, times_rerun: int = 0, tsg: Optional[int] = None, @@ -1012,7 +1012,7 @@ def _run_a_job(self, max_job_time=job.max_job_time, rotor_index=job.rotor_index, reactions=job.reactions, - trsh=list(job.args['trsh'].values()) if 'trsh' in job.args else '', + trsh=job.args['trsh'] if 'trsh' in job.args else {}, torsions=job.torsions, times_rerun=job.times_rerun + int(rerun), tsg=job.tsg,