Update test for positive inchikey (#1336)

* Update test_compound_identifier.py * Update test_compound_identifier.py * Update test_compound_identifier.py * Update test_compound_identifier.py * Update test_compound_identifier.py * Update test_compound_identifier.py --------- Co-authored-by: Dhanshree Arora <[email protected]>
ersilia-os · Nov 18, 2024 · a434b00 · a434b00
1 parent c4c790a
commit a434b00
Showing 1 changed file with 21 additions and 1 deletion.
diff --git a/test/test_compound_identifier.py b/test/test_compound_identifier.py
@@ -65,4 +65,24 @@ def test_is_smiles_positive_chem_none(mock_pubchem, compound_identifier):
 # Test with a valid SMILES input
     smiles_string = 'CCO' #Ethanol SMILES
     assert compound_identifier._is_smiles(smiles_string) is True
-
+
+
+@patch('requests.get')
+async def test_nci_smiles_to_inchikey_positive(mock_get, compound_identifier):
+    """Test _nci_smiles_to_inchikey with a mocked positive response."""
+    mock_response = mock_get.return_value
+    mock_response.status_code = 200
+    mock_response.text = "InChIKey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N"
+
+    inchikey = await compound_identifier._nci_smiles_to_inchikey(session=None, smiles="CCO")
+    assert inchikey == "BSYNRYMUTXBXSQ-UHFFFAOYSA-N"
+
+
+@patch('requests.get')
+async def test_nci_smiles_to_inchikey_negative(mock_get, compound_identifier):
+    """Test _nci_smiles_to_inchikey with a mocked negative response."""
+    mock_response = mock_get.return_value
+    mock_response.status_code = 404  
+
+    inchikey = await compound_identifier._nci_smiles_to_inchikey(session=None, smiles="invalid_smiles")
+    assert inchikey is None