Add error to sample if called on unfinished job

pyiron · Jun 3, 2022 · 7cc8520 · 7cc8520
1 parent cd42c03
commit 7cc8520
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/pyiron_contrib/atomistics/atomistics/job/trainingcontainer.py b/pyiron_contrib/atomistics/atomistics/job/trainingcontainer.py
@@ -259,6 +259,8 @@ def sample(
         Raises:
             ValueError: if a job with the given `name` already exists.
         """
+        if not self.status.finished:
+            raise ValueError(f"Job must be finished, not '{self.status}'!")
         cont = self.project.create.job.TrainingContainer(name, delete_existing_job=delete_existing_job)
         if not cont.status.initialized:
             raise ValueError(f"Job '{name}' already exists with status: {cont.status}!")