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[Chore] Package Export, Blanks for fields, Styling (#421)

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Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#421
This commit is contained in:
jebus
2026-07-02 20:12:26 +12:00
parent a092d4a558
commit dba6514013
21 changed files with 647 additions and 450 deletions
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10
tests/test_compound_model.py
View File

@ -1,5 +1,7 @@
from django.conf import settings as s
from django.test import TestCase, override_settings
from epdb.exceptions import InvalidSMILESException
from epdb.logic import PackageManager
from epdb.models import Compound, User, CompoundStructure
@ -33,13 +35,13 @@ class CompoundTest(TestCase):
self.assertEqual(c.description, "No Desc")
def test_missing_smiles(self):
with self.assertRaises(ValueError):
with self.assertRaises(InvalidSMILESException):
_ = Compound.create(self.package, smiles=None, name="Afoxolaner", description="No Desc")
with self.assertRaises(ValueError):
with self.assertRaises(InvalidSMILESException):
_ = Compound.create(self.package, smiles="", name="Afoxolaner", description="No Desc")
with self.assertRaises(ValueError):
with self.assertRaises(InvalidSMILESException):
_ = Compound.create(self.package, smiles=" ", name="Afoxolaner", description="No Desc")
def test_smiles_are_trimmed(self):
@ -96,7 +98,7 @@ class CompoundTest(TestCase):
self.assertEqual(len(self.package.compounds), 1)
def test_wrong_smiles(self):
with self.assertRaises(ValueError):
with self.assertRaises(InvalidSMILESException):
_ = Compound.create(
self.package,
smiles="C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F",

3
tests/test_reaction_model.py
View File

@ -1,6 +1,7 @@
from django.conf import settings as s
from django.test import TestCase, override_settings
from epdb.exceptions import InvalidSMILESException
from epdb.logic import PackageManager
from epdb.models import Compound, User, Reaction, Rule
@ -163,7 +164,7 @@ class ReactionTest(TestCase):
self.assertEqual(len(self.package.reactions), 1)
def test_wrong_smiles(self):
with self.assertRaises(ValueError):
with self.assertRaises(InvalidSMILESException):
_ = Reaction.create(
package=self.package,
name="Eawag BBD reaction r0001",

16
tests/views/test_model_views.py
View File

@ -46,6 +46,14 @@ class ModelViewTest(TestCase):
)
expected = [
{
"products": [["CCN(CC)C(=O)C1=CC(C=O)=CC=C1"]],
"probability": 0.75,
"btrule": {
"url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/2f2e0c39-e109-4836-959f-2bda2524f022",
"name": "bt0001-3568",
},
},
{
"products": [["O=C(O)C1=CC(CO)=CC=C1", "CCNCC"]],
"probability": 0.25,
@ -62,14 +70,6 @@ class ModelViewTest(TestCase):
"name": "bt0243-4301",
},
},
{
"products": [["CCN(CC)C(=O)C1=CC(C=O)=CC=C1"]],
"probability": 0.75,
"btrule": {
"url": "http://localhost:8000/package/1869d3f0-60bb-41fd-b6f8-afa75ffb09d3/simple-ambit-rule/2f2e0c39-e109-4836-959f-2bda2524f022",
"name": "bt0001-3568",
},
},
]
actual = response.json()["pred"]