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[Fix] Catch invalid reactions smiles on reaction creation (#431)

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Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#431
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jebus
2026-07-23 07:45:36 +12:00
parent f4c198981b
commit d657c0285a
1 changed files with 15 additions and 0 deletions
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15
epdb/views.py
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@ -1918,6 +1918,21 @@ def package_reactions(request, package_uuid):
reaction_name = request.POST.get("reaction-name") reaction_name = request.POST.get("reaction-name")
reaction_description = request.POST.get("reaction-description") reaction_description = request.POST.get("reaction-description")
reaction_smiles = request.POST.get("reaction-smiles") reaction_smiles = request.POST.get("reaction-smiles")
if reaction_smiles is None or reaction_smiles.strip() == "":
return error(
request,
"Reaction SMILES is empty / missing",
"No reaction SMILES provided. Please provide a SMILES for the reaction.",
)
if not FormatConverter.is_valid_smirks(reaction_smiles):
return error(
request,
"Reaction SMILES is invalid",
f"The provided reactions SMILES {reaction_smiles} is invalid",
)
educts = reaction_smiles.split(">>")[0].split(".") educts = reaction_smiles.split(">>")[0].split(".")
products = reaction_smiles.split(">>")[1].split(".") products = reaction_smiles.split(">>")[1].split(".")