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[Feature] Ketcher V3 (#427)

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Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#427
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jebus
2026-07-17 08:16:09 +12:00
parent 3566571b42
commit 31c57299e4
22515 changed files with 1344 additions and 2191897 deletions
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20
tests/views/test_reaction_views.py
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@ -34,7 +34,7 @@ class ReactionViewTest(TestCase):
{
"reaction-name": "Eawag BBD reaction r0001",
"reaction-description": "Description for Eawag BBD reaction r0001",
"reaction-smirks": "C(CCl)Cl>>C(CO)Cl",
"reaction-smiles": "C(CCl)Cl>>C(CO)Cl",
},
)
@ -55,7 +55,7 @@ class ReactionViewTest(TestCase):
{
"reaction-name": "Eawag BBD reaction r0001",
"reaction-description": "Description for Eawag BBD reaction r0001",
"reaction-smirks": "C(CCl)Cl>>C(CO)Cl",
"reaction-smiles": "C(CCl)Cl>>C(CO)Cl",
},
)
@ -69,7 +69,7 @@ class ReactionViewTest(TestCase):
{
"reaction-name": "Eawag BBD reaction r0001",
"reaction-description": "Description for Eawag BBD reaction r0001",
"reaction-smirks": "C(CCl)Cl>>C(CO)Cl",
"reaction-smiles": "C(CCl)Cl>>C(CO)Cl",
},
)
@ -82,7 +82,7 @@ class ReactionViewTest(TestCase):
{
"reaction-name": "Eawag BBD reaction r0002",
"reaction-description": "Description for Eawag BBD reaction r0002",
"reaction-smirks": "C(CO)Cl>>C(C=O)Cl",
"reaction-smiles": "C(CO)Cl>>C(C=O)Cl",
},
)
@ -96,7 +96,7 @@ class ReactionViewTest(TestCase):
{
"reaction-name": "Eawag BBD reaction r0001",
"reaction-description": "Description for Eawag BBD reaction r0001",
"reaction-smirks": "C(CCl)Cl>>C(CO)Cl",
"reaction-smiles": "C(CCl)Cl>>C(CO)Cl",
},
)
@ -153,7 +153,7 @@ class ReactionViewTest(TestCase):
{
"reaction-name": "Eawag BBD reaction r0001",
"reaction-description": "Description for Eawag BBD reaction r0001",
"reaction-smirks": "C(CCl)Cl>>C(CO)Cl",
"reaction-smiles": "C(CCl)Cl>>C(CO)Cl",
},
)
@ -201,7 +201,7 @@ class ReactionViewTest(TestCase):
{
"reaction-name": "Eawag BBD reaction r0001",
"reaction-description": "Description for Eawag BBD reaction r0001",
"reaction-smirks": "C(CCl)Cl>>C(CO)Cl",
"reaction-smiles": "C(CCl)Cl>>C(CO)Cl",
},
)
@ -270,7 +270,7 @@ class ReactionViewTest(TestCase):
{
"reaction-name": "Eawag BBD reaction r0001",
"reaction-description": "Description for Eawag BBD reaction r0001",
"reaction-smirks": "C(CCl)Cl>>C(CO)Cl",
"reaction-smiles": "C(CCl)Cl>>C(CO)Cl",
},
)
@ -320,7 +320,7 @@ class ReactionViewTest(TestCase):
{
"reaction-name": "Eawag BBD reaction r0001",
"reaction-description": "Description for Eawag BBD reaction r0001",
"reaction-smirks": "C(CCl)Cl>>C(CO)Cl",
"reaction-smiles": "C(CCl)Cl>>C(CO)Cl",
},
)
self.assertEqual(response.status_code, 302)
@ -347,7 +347,7 @@ class ReactionViewTest(TestCase):
{
"reaction-name": "Eawag BBD reaction r0001",
"reaction-description": "Description for Eawag BBD reaction r0001",
"reaction-smirks": "C(CCl)Cl>>C(CO)Cl",
"reaction-smiles": "C(CCl)Cl>>C(CO)Cl",
},
)