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[Feature] Generate Compounds by Molfile (#423)

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Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#423
This commit is contained in:
jebus
2026-07-15 23:56:24 +12:00
parent 9bc9f86ff1
commit 2c2437e3f5
8 changed files with 439 additions and 44 deletions
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17
epapi/tests/v1/test_api_permissions.py
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@ -117,25 +117,28 @@ class APIPermissionTestBase(TestCase):
# Create test compounds in each package
cls.reviewed_compound = Compound.create(
cls.reviewed_package, "C", "Reviewed Compound", "Test compound"
cls.reviewed_package, "C", name="Reviewed Compound", description="Test compound"
)
cls.owned_compound = Compound.create(
cls.unreviewed_package_owned, "CC", "Owned Compound", "Test compound"
cls.unreviewed_package_owned, "CC", name="Owned Compound", description="Test compound"
)
cls.read_compound = Compound.create(
cls.unreviewed_package_read, "CCC", "Read Compound", "Test compound"
cls.unreviewed_package_read, "CCC", name="Read Compound", description="Test compound"
)
cls.write_compound = Compound.create(
cls.unreviewed_package_write, "CCCC", "Write Compound", "Test compound"
cls.unreviewed_package_write, "CCCC", name="Write Compound", description="Test compound"
)
cls.all_compound = Compound.create(
cls.unreviewed_package_all, "CCCCC", "All Compound", "Test compound"
cls.unreviewed_package_all, "CCCCC", name="All Compound", description="Test compound"
)
cls.no_access_compound = Compound.create(
cls.unreviewed_package_no_access, "CCCCCC", "No Access Compound", "Test compound"
cls.unreviewed_package_no_access,
"CCCCCC",
name="No Access Compound",
description="Test compound",
)
cls.group_compound = Compound.create(
cls.group_package, "CCCCCCC", "Group Compound", "Test compound"
cls.group_package, "CCCCCCC", name="Group Compound", description="Test compound"
)

8
epapi/tests/v1/test_contract_get_entities.py
View File

@ -294,8 +294,8 @@ class CompoundPaginationAPITest(BaseTestAPIGetPaginated, TestCase):
return Compound.create(
package,
smiles,
f"Reviewed Compound {idx:03d}",
"Compound for pagination tests",
name=f"Reviewed Compound {idx:03d}",
description="Compound for pagination tests",
)
@classmethod
@ -305,8 +305,8 @@ class CompoundPaginationAPITest(BaseTestAPIGetPaginated, TestCase):
return Compound.create(
package,
smiles,
f"Draft Compound {idx:03d}",
"Compound for pagination tests",
name=f"Draft Compound {idx:03d}",
description="Compound for pagination tests",
)