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Commit bc78027f authored by Hervé  MENAGER's avatar Hervé MENAGER
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modify unit tests according to cd607709...

modify unit tests according to cd607709 [formerly 7f0a26180c2fb18638e0293c5ecbc123b4a9271f]


Former-commit-id: 96be0abb7a66b2f590a093efb660a7d89f985b90
parent cd607709
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......@@ -144,8 +144,7 @@ def create_dummy_drugbank_compound(id_, smiles):
dbc.id = id_
dbc.common_name = 'DrugBankCompound' + str(id_)
dbc.canonical_smiles = smiles
dbc.save(autofill=True)
dbc.save()
class CompoundTanimotoTestCase(TestCase):
......@@ -177,29 +176,3 @@ class CompoundTanimotoTestCaseCompound1ECFP4(TestCase):
ct2 = CompoundTanimoto.objects.get(id=2,canonical_smiles=self.smiles_query)
self.assertEqual(ct.tanimoto, 1.0)
self.assertEqual(float(ct2.tanimoto),0.0971)
class CompoundDrugBankCompoundTanimotoTest(TestCase):
def setUp(self):
self.compound_smiles_dict = {1:"CC", 2:"CCC"}
self.drugbankcompound_smiles_dict = {1:"CC"}
def test_create_compound_first(self):
for id_, smiles in self.compound_smiles_dict.items():
create_dummy_compound(id_, smiles)
for id_, smiles in self.drugbankcompound_smiles_dict.items():
create_dummy_drugbank_compound(id_, smiles)
dbct = DrugbankCompoundTanimoto.objects.get(compound_id=1, drugbank_compound_id=1)
self.assertEqual(dbct.tanimoto, 1.0)
dbct2 = DrugbankCompoundTanimoto.objects.get(compound_id=2, drugbank_compound_id=1)
self.assertEqual(dbct2.tanimoto, 0.5)
def test_create_drugbank_compound_first(self):
for id_, smiles in self.drugbankcompound_smiles_dict.items():
create_dummy_drugbank_compound(id_, smiles)
for id_, smiles in self.compound_smiles_dict.items():
create_dummy_compound(id_, smiles)
dbct = DrugbankCompoundTanimoto.objects.get(compound_id=1, drugbank_compound_id=1)
self.assertEqual(dbct.tanimoto, 1.0)
dbct2 = DrugbankCompoundTanimoto.objects.get(compound_id=2, drugbank_compound_id=1)
self.assertEqual(dbct2.tanimoto, 0.5)
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