forked from enviPath/enviPy
[Feature] External Identifier/References
Co-authored-by: Tim Lorsbach <tim@lorsba.ch> Reviewed-on: enviPath/enviPy#139
This commit is contained in:
315
tests/views/test_compound_views.py
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315
tests/views/test_compound_views.py
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from django.test import TestCase
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from django.urls import reverse
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from envipy_additional_information import Temperature, Interval
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from epdb.logic import UserManager, PackageManager
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from epdb.models import Compound, Scenario, ExternalIdentifier, ExternalDatabase
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class CompoundViewTest(TestCase):
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fixtures = ["test_fixtures.jsonl.gz"]
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@classmethod
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def setUpClass(cls):
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super(CompoundViewTest, cls).setUpClass()
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cls.user1 = UserManager.create_user("user1", "user1@envipath.com", "SuperSafe",
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set_setting=False, add_to_group=True, is_active=True)
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cls.user1_default_package = cls.user1.default_package
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cls.package = PackageManager.create_package(cls.user1, 'Test', 'Test Pack')
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def setUp(self):
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self.client.force_login(self.user1)
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def test_create_compound(self):
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response = self.client.post(
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reverse("compounds"), {
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"compound-name": "1,2-Dichloroethane",
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"compound-description": "Eawag BBD compound c0001",
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"compound-smiles": "C(CCl)Cl",
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}
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)
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self.assertEqual(response.status_code, 302)
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compound_url = response.url
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c = Compound.objects.get(url=compound_url)
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self.assertEqual(c.package, self.user1_default_package)
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self.assertEqual(c.name, "1,2-Dichloroethane")
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self.assertEqual(c.description, "Eawag BBD compound c0001")
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self.assertEqual(c.default_structure.smiles, "C(CCl)Cl")
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self.assertEqual(c.default_structure.canonical_smiles, 'ClCCCl')
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self.assertEqual(c.structures.all().count(), 2)
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self.assertEqual(self.user1_default_package.compounds.count(), 1)
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# Adding the same rule again should return the existing one, hence not increasing the number of rules
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response = self.client.post(
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reverse("compounds"), {
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"compound-name": "1,2-Dichloroethane",
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"compound-description": "Eawag BBD compound c0001",
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"compound-smiles": "C(CCl)Cl",
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}
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)
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self.assertEqual(response.url, compound_url)
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self.assertEqual(response.status_code, 302)
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self.assertEqual(self.user1_default_package.compounds.count(), 1)
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# Adding the same rule in a different package should create a new rule
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response = self.client.post(
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reverse("package compound list", kwargs={'package_uuid': self.package.uuid}), {
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"compound-name": "1,2-Dichloroethane",
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"compound-description": "Eawag BBD compound c0001",
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"compound-smiles": "C(CCl)Cl",
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}
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)
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self.assertEqual(response.status_code, 302)
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self.assertNotEqual(compound_url, response.url)
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# adding another reaction should increase count
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response = self.client.post(
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reverse("compounds"), {
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"compound-name": "2-Chloroethanol",
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"compound-description": "Eawag BBD compound c0005",
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"compound-smiles": "C(CO)Cl",
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}
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)
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self.assertEqual(response.status_code, 302)
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self.assertEqual(self.user1_default_package.compounds.count(), 2)
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# Edit
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def test_edit_rule(self):
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response = self.client.post(
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reverse("compounds"), {
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"compound-name": "1,2-Dichloroethane",
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"compound-description": "Eawag BBD compound c0001",
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"compound-smiles": "C(CCl)Cl",
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}
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)
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self.assertEqual(response.status_code, 302)
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compound_url = response.url
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c = Compound.objects.get(url=compound_url)
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response = self.client.post(
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reverse("package compound detail", kwargs={
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'package_uuid': str(self.user1_default_package.uuid),
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'compound_uuid': str(c.uuid)
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}), {
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"compound-name": "Test Compound Adjusted",
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"compound-description": "New Description",
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}
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)
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self.assertEqual(response.status_code, 302)
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c = Compound.objects.get(url=compound_url)
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self.assertEqual(c.name, "Test Compound Adjusted")
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self.assertEqual(c.description, "New Description")
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# Rest stays untouched
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self.assertEqual(c.default_structure.smiles, "C(CCl)Cl")
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self.assertEqual(self.user1_default_package.compounds.count(), 1)
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# Scenario
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def test_set_scenario(self):
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s1 = Scenario.create(
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self.user1_default_package,
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"Test Scen",
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"Test Desc",
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"2025-10",
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"soil",
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[Temperature(interval=Interval(start=20, end=30))]
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)
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s2 = Scenario.create(
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self.user1_default_package,
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"Test Scen2",
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"Test Desc2",
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"2025-10",
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"soil",
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[Temperature(interval=Interval(start=10, end=20))]
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)
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response = self.client.post(
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reverse("compounds"), {
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"compound-name": "1,2-Dichloroethane",
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"compound-description": "Eawag BBD compound c0001",
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"compound-smiles": "C(CCl)Cl",
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}
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)
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self.assertEqual(response.status_code, 302)
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compound_url = response.url
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c = Compound.objects.get(url=compound_url)
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response = self.client.post(
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reverse("package compound detail", kwargs={
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'package_uuid': str(c.package.uuid),
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'compound_uuid': str(c.uuid)
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}), {
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"selected-scenarios": [s1.url, s2.url]
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}
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)
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self.assertEqual(len(c.scenarios.all()), 2)
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response = self.client.post(
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reverse("package compound detail", kwargs={
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'package_uuid': str(c.package.uuid),
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'compound_uuid': str(c.uuid)
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}), {
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"selected-scenarios": [s1.url]
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}
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)
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self.assertEqual(len(c.scenarios.all()), 1)
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self.assertEqual(c.scenarios.first().url, s1.url)
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response = self.client.post(
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reverse("package compound detail", kwargs={
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'package_uuid': str(c.package.uuid),
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'compound_uuid': str(c.uuid)
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}), {
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# We have to set an empty string to avoid that the parameter is removed
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"selected-scenarios": ""
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}
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)
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self.assertEqual(len(c.scenarios.all()), 0)
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#
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def test_copy(self):
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response = self.client.post(
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reverse("compounds"), {
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"compound-name": "1,2-Dichloroethane",
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"compound-description": "Eawag BBD compound c0001",
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"compound-smiles": "C(CCl)Cl",
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}
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)
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self.assertEqual(response.status_code, 302)
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compound_url = response.url
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c = Compound.objects.get(url=compound_url)
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response = self.client.post(
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reverse("package detail", kwargs={
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'package_uuid': str(self.package.uuid),
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}), {
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"hidden": "copy",
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"object_to_copy": c.url
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}
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)
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self.assertEqual(response.status_code, 200)
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copied_object_url = response.json()["success"]
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copied_compound = Compound.objects.get(url=copied_object_url)
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self.assertEqual(copied_compound.name, c.name)
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self.assertEqual(copied_compound.description, c.description)
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self.assertEqual(copied_compound.default_structure.smiles, c.default_structure.smiles)
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# Copy to the same package should fail
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response = self.client.post(
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reverse("package detail", kwargs={
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'package_uuid': str(c.package.uuid),
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}), {
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"hidden": "copy",
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"object_to_copy": c.url
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}
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)
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self.assertEqual(response.status_code, 400)
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self.assertEqual(response.json()['error'], f"Can't copy object {compound_url} to the same package!")
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def test_references(self):
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ext_db, _ = ExternalDatabase.objects.get_or_create(
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name='PubChem Compound',
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defaults={
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'full_name': 'PubChem Compound Database',
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'description': 'Chemical database of small organic molecules',
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'base_url': 'https://pubchem.ncbi.nlm.nih.gov',
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'url_pattern': 'https://pubchem.ncbi.nlm.nih.gov/compound/{id}'
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}
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)
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ext_db2, _ = ExternalDatabase.objects.get_or_create(
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name='PubChem Substance',
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defaults={
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'full_name': 'PubChem Substance Database',
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'description': 'Database of chemical substances',
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'base_url': 'https://pubchem.ncbi.nlm.nih.gov',
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'url_pattern': 'https://pubchem.ncbi.nlm.nih.gov/substance/{id}'
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}
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)
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response = self.client.post(
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reverse("compounds"), {
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"compound-name": "1,2-Dichloroethane",
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"compound-description": "Eawag BBD compound c0001",
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"compound-smiles": "C(CCl)Cl",
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}
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)
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self.assertEqual(response.status_code, 302)
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compound_url = response.url
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c = Compound.objects.get(url=compound_url)
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response = self.client.post(
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reverse("package compound detail", kwargs={
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'package_uuid': str(c.package.uuid),
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'compound_uuid': str(c.uuid),
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}), {
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'selected-database': ext_db.pk,
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'identifier': '25154249'
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}
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)
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self.assertEqual(c.external_identifiers.count(), 1)
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self.assertEqual(c.external_identifiers.first().database, ext_db)
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self.assertEqual(c.external_identifiers.first().identifier_value, '25154249')
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self.assertEqual(c.external_identifiers.first().url, 'https://pubchem.ncbi.nlm.nih.gov/compound/25154249')
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response = self.client.post(
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reverse("package compound detail", kwargs={
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'package_uuid': str(c.package.uuid),
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'compound_uuid': str(c.uuid),
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}), {
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'selected-database': ext_db2.pk,
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'identifier': '25154249'
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}
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)
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self.assertEqual(c.external_identifiers.count(), 2)
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self.assertEqual(c.external_identifiers.last().database, ext_db2)
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self.assertEqual(c.external_identifiers.last().identifier_value, '25154249')
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self.assertEqual(c.external_identifiers.last().url, 'https://pubchem.ncbi.nlm.nih.gov/substance/25154249')
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def test_delete(self):
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response = self.client.post(
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reverse("compounds"), {
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"compound-name": "1,2-Dichloroethane",
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"compound-description": "Eawag BBD compound c0001",
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"compound-smiles": "C(CCl)Cl",
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}
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)
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self.assertEqual(response.status_code, 302)
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compound_url = response.url
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c = Compound.objects.get(url=compound_url)
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response = self.client.post(
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reverse("package compound detail", kwargs={
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'package_uuid': str(c.package.uuid),
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'compound_uuid': str(c.uuid)
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}), {
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"hidden": "delete"
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}
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)
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self.assertEqual(self.user1_default_package.compounds.count(), 0)
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