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This commit is contained in:
Tim Lorsbach
2026-04-17 19:39:54 +02:00
parent ca0508d96a
commit d1a00f71b4
19 changed files with 412 additions and 115 deletions
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31
epdb/logic.py
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@ -627,6 +627,25 @@ class PackageManager(object):
else:
pack.reviewed = False
# EDIT START
if data.get("classification"):
if data["classification"] == "INTERNAL":
pack.classification = Package.Classification.RESTRICTED
elif data["classification"] == "RESTRICTED":
pack.classification = Package.Classification.RESTRICTED
elif data["classification"] == "SECRET":
pack.classification = Package.Classification.SECRET
if not "datapool" in data:
raise ValueError("Missing datapool in package")
g = Group.objects.get(uuid=data["datapool"].split('/')[-1])
pack.data_pool = g
else:
raise ValueError(f"Invalid classification {data['classification']}")
# EDIT END
pack.description = data["description"]
pack.save()
@ -712,7 +731,13 @@ class PackageManager(object):
default_structure = None
for structure in compound["structures"]:
struc = CompoundStructure()
if structure.get("pesLink"):
from bayer.models import PESStructure
struc = PESStructure()
struc.pes_link = structure["pesLink"]
else:
struc = CompoundStructure()
# struc.object_url = Command.get_id(structure, keep_ids)
struc.compound = comp
struc.uuid = UUID(structure["id"].split("/")[-1]) if keep_ids else uuid4()
@ -720,6 +745,10 @@ class PackageManager(object):
struc.description = structure["description"]
struc.aliases = structure.get("aliases", [])
struc.smiles = structure["smiles"]
if structure.get("molfile"):
struc.molfile = structure["molfile"]
struc.save()
for scen in structure["scenarios"]: