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[Feature] Alias Support (#151)

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Fixes #149

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#151
This commit is contained in:
jebus
2025-10-09 23:14:34 +13:00
parent afeb56622c
commit 68a3f3b982
25 changed files with 675 additions and 31 deletions
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1
tests/test_multigen_eval.py
View File

@ -74,6 +74,7 @@ class MultiGenTest(TestCase):
shallow_pathway = graph_from_pathway(SPathway.from_pathway(pathway))
pathway = graph_from_pathway(pathway)
if not graphs_equal(shallow_pathway, pathway):
print("\n\nS", shallow_pathway.adj)
print("\n\nPW", pathway.adj)

54
tests/views/test_compound_views.py
View File

@ -340,3 +340,57 @@ class CompoundViewTest(TestCase):
)
self.assertEqual(self.user1_default_package.compounds.count(), 0)
def test_set_aliases(self):
alias_1 = "Alias 1"
alias_2 = "Alias 2"
response = self.client.post(
reverse("compounds"),
{
"compound-name": "1,2-Dichloroethane",
"compound-description": "Eawag BBD compound c0001",
"compound-smiles": "C(CCl)Cl",
},
)
self.assertEqual(response.status_code, 302)
compound_url = response.url
c = Compound.objects.get(url=compound_url)
response = self.client.post(
reverse(
"package compound detail",
kwargs={"package_uuid": str(c.package.uuid), "compound_uuid": str(c.uuid)},
),
{"aliases": [alias_1, alias_2]},
)
c = Compound.objects.get(url=compound_url)
self.assertEqual(len(c.aliases), 2)
response = self.client.post(
reverse(
"package compound detail",
kwargs={"package_uuid": str(c.package.uuid), "compound_uuid": str(c.uuid)},
),
{"aliases": [alias_1]},
)
c = Compound.objects.get(url=compound_url)
self.assertEqual(len(c.aliases), 1)
response = self.client.post(
reverse(
"package compound detail",
kwargs={"package_uuid": str(c.package.uuid), "compound_uuid": str(c.uuid)},
),
{
# We have to set an empty string to avoid that the parameter is removed
"aliases": ""
},
)
c = Compound.objects.get(url=compound_url)
self.assertEqual(len(c.aliases), 0)

54
tests/views/test_pathway_views.py
View File

@ -112,3 +112,57 @@ class PathwayViewTest(TestCase):
predicted_nodes.add(n.default_node_label.smiles)
self.assertEqual(first_level_nodes, predicted_nodes)
def test_set_aliases(self):
alias_1 = "Alias 1"
alias_2 = "Alias 2"
response = self.client.post(
reverse("package pathway list", kwargs={"package_uuid": str(self.package.uuid)}),
{
"name": "Test Pathway",
"description": "Just a Description",
"predict": "predict",
"smiles": "CCN(CC)C(=O)C1=CC(=CC=C1)CO",
},
)
self.assertEqual(response.status_code, 302)
pathway_url = response.url
pw = Pathway.objects.get(url=pathway_url)
response = self.client.post(
reverse(
"package pathway detail",
kwargs={"package_uuid": str(pw.package.uuid), "pathway_uuid": str(pw.uuid)},
),
{"aliases": [alias_1, alias_2]},
)
pw = Pathway.objects.get(url=pathway_url)
self.assertEqual(len(pw.aliases), 2)
response = self.client.post(
reverse(
"package pathway detail",
kwargs={"package_uuid": str(pw.package.uuid), "pathway_uuid": str(pw.uuid)},
),
{"aliases": [alias_1]},
)
pw = Pathway.objects.get(url=pathway_url)
self.assertEqual(len(pw.aliases), 1)
response = self.client.post(
reverse(
"package pathway detail",
kwargs={"package_uuid": str(pw.package.uuid), "pathway_uuid": str(pw.uuid)},
),
{
# We have to set an empty string to avoid that the parameter is removed
"aliases": ""
},
)
pw = Pathway.objects.get(url=pathway_url)
self.assertEqual(len(pw.aliases), 0)

53
tests/views/test_reaction_views.py
View File

@ -335,3 +335,56 @@ class ReactionViewTest(TestCase):
)
self.assertEqual(self.user1_default_package.reactions.count(), 0)
def test_set_aliases(self):
alias_1 = "Alias 1"
alias_2 = "Alias 2"
response = self.client.post(
reverse("reactions"),
{
"reaction-name": "Eawag BBD reaction r0001",
"reaction-description": "Description for Eawag BBD reaction r0001",
"reaction-smirks": "C(CCl)Cl>>C(CO)Cl",
},
)
self.assertEqual(response.status_code, 302)
reaction_url = response.url
r = Reaction.objects.get(url=reaction_url)
response = self.client.post(
reverse(
"package reaction detail",
kwargs={"package_uuid": str(r.package.uuid), "reaction_uuid": str(r.uuid)},
),
{"aliases": [alias_1, alias_2]},
)
r = Reaction.objects.get(url=reaction_url)
self.assertEqual(len(r.aliases), 2)
response = self.client.post(
reverse(
"package reaction detail",
kwargs={"package_uuid": str(r.package.uuid), "reaction_uuid": str(r.uuid)},
),
{"aliases": [alias_1]},
)
r = Reaction.objects.get(url=reaction_url)
self.assertEqual(len(r.aliases), 1)
response = self.client.post(
reverse(
"package reaction detail",
kwargs={"package_uuid": str(r.package.uuid), "reaction_uuid": str(r.uuid)},
),
{
# We have to set an empty string to avoid that the parameter is removed
"aliases": ""
},
)
r = Reaction.objects.get(url=reaction_url)
self.assertEqual(len(r.aliases), 0)

54
tests/views/test_rule_views.py
View File

@ -258,3 +258,57 @@ class RuleViewTest(TestCase):
)
self.assertEqual(self.user1_default_package.rules.count(), 0)
def test_set_aliases(self):
alias_1 = "Alias 1"
alias_2 = "Alias 2"
response = self.client.post(
reverse("rules"),
{
"rule-name": "Test Rule",
"rule-description": "Just a Description",
"rule-smirks": "[H:5][C:1]([#6:6])([#1,#9,#17,#35,#53:4])[#9,#17,#35,#53]>>[H:5][C:1]([#6:6])([#8])[#1,#9,#17,#35,#53:4]",
"rule-type": "SimpleAmbitRule",
},
)
self.assertEqual(response.status_code, 302)
rule_url = response.url
r = Rule.objects.get(url=rule_url)
response = self.client.post(
reverse(
"package rule detail",
kwargs={"package_uuid": str(r.package.uuid), "rule_uuid": str(r.uuid)},
),
{"aliases": [alias_1, alias_2]},
)
r = Rule.objects.get(url=rule_url)
self.assertEqual(len(r.aliases), 2)
response = self.client.post(
reverse(
"package rule detail",
kwargs={"package_uuid": str(r.package.uuid), "rule_uuid": str(r.uuid)},
),
{"aliases": [alias_1]},
)
r = Rule.objects.get(url=rule_url)
self.assertEqual(len(r.aliases), 1)
response = self.client.post(
reverse(
"package rule detail",
kwargs={"package_uuid": str(r.package.uuid), "rule_uuid": str(r.uuid)},
),
{
# We have to set an empty string to avoid that the parameter is removed
"aliases": ""
},
)
r = Rule.objects.get(url=rule_url)
self.assertEqual(len(r.aliases), 0)