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Tim Lorsbach
2026-09-02 21:34:26 +02:00
parent 887de03a19
commit d8741c5375
1 changed files with 1 additions and 1 deletions
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epdb/logic.py
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@@ -831,7 +831,7 @@ class PackageManager(object):
elif rule.get("reactionSmarts") is not None: elif rule.get("reactionSmarts") is not None:
r.smirks = rule["reactionSmarts"] r.smirks = rule["reactionSmarts"]
else: else:
raise ValueError("No SMIRKS or reactionSmarts found for rule {}".format(rule["id"])) raise ValueError(f"No SMIRKS or reactionSmarts found for rule {rule['id']}")
r.reactant_filter_smarts = rule.get("reactantFilterSmarts", None) r.reactant_filter_smarts = rule.get("reactantFilterSmarts", None)
r.product_filter_smarts = rule.get("productFilterSmarts", None) r.product_filter_smarts = rule.get("productFilterSmarts", None)