Experimental App Domain (#43)

Backend App Domain done, Frontend missing

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#43

tests/test_model.py

@@ -0,0 +1,55 @@
+import json
+
+from django.test import TestCase
+
+from epdb.logic import PackageManager
+from epdb.models import Compound, User, CompoundStructure, Reaction, Rule, MLRelativeReasoning
+
+
+class ModelTest(TestCase):
+    fixtures = ["test_fixture.cleaned.json"]
+
+    def setUp(self):
+        pass
+
+    @classmethod
+    def setUpClass(cls):
+        super(ModelTest, cls).setUpClass()
+        cls.user = User.objects.get(username='anonymous')
+        cls.package = PackageManager.create_package(cls.user, 'Anon Test Package', 'No Desc')
+        bbd_data = json.load(open('fixtures/packages/2025-07-18/EAWAG-BBD.json'))
+        cls.BBD = PackageManager.import_package(bbd_data, cls.user)
+
+    @classmethod
+    def tearDownClass(cls):
+        pass
+
+    def tearDown(self):
+        pass
+
+    def test_smoke(self):
+        threshold = float(0.5)
+
+        # get Package objects from urls
+        rule_package_objs = [self.BBD]
+        data_package_objs = [self.BBD]
+        eval_packages_objs = []
+
+        mod = MLRelativeReasoning.create(
+            self.package,
+            'ECC - BBD - 0.5',
+            'Created MLRelativeReasoning in Testcase',
+            rule_package_objs,
+            data_package_objs,
+            eval_packages_objs,
+            threshold
+        )
+        ds = mod.load_dataset()
+
+        mod.build_model()
+        print("Model built!")
+        mod.evaluate_model()
+        print("Model Evaluated")
+
+        results = mod.predict('CCN(CC)C(=O)C1=CC(=CC=C1)C')
+        print(results)