Improve test coverage to 99%

Author: HzaCode

tests/test_api.py

@@ -282,6 +282,41 @@ def test_convenience_functions():
     assert ci.get_cas("caffeine") is None
 
 
+def test_convenience_functions_return_none_on_not_found():
+    """Tests that convenience functions return None when compound is not found."""
+    assert ci.get_weight("nonexistent") is None
+    assert ci.get_formula("nonexistent") is None
+    assert ci.get_canonical_smiles("nonexistent") is None
+    assert ci.get_isomeric_smiles("nonexistent") is None
+    assert ci.get_iupac_name("nonexistent") is None
+    assert ci.get_xlogp("nonexistent") is None
+    assert ci.get_cas("nonexistent") is None
+    assert ci.get_exact_mass("nonexistent") is None
+    assert ci.get_monoisotopic_mass("nonexistent") is None
+    assert ci.get_tpsa("nonexistent") is None
+    assert ci.get_complexity("nonexistent") is None
+    assert ci.get_h_bond_donor_count("nonexistent") is None
+    assert ci.get_h_bond_acceptor_count("nonexistent") is None
+    assert ci.get_rotatable_bond_count("nonexistent") is None
+    assert ci.get_heavy_atom_count("nonexistent") is None
+    assert ci.get_charge("nonexistent") is None
+    assert ci.get_atom_stereo_count("nonexistent") is None
+    assert ci.get_bond_stereo_count("nonexistent") is None
+    assert ci.get_covalent_unit_count("nonexistent") is None
+    assert ci.get_inchi("nonexistent") is None
+    assert ci.get_inchi_key("nonexistent") is None
+
+
+def test_convenience_functions_return_none_on_ambiguous():
+    """Tests that convenience functions return None when identifier is ambiguous."""
+    assert ci.get_weight("ambiguous") is None
+    assert ci.get_formula("ambiguous") is None
+    assert ci.get_canonical_smiles("ambiguous") is None
+    assert ci.get_isomeric_smiles("ambiguous") is None
+    assert ci.get_iupac_name("ambiguous") is None
+    assert ci.get_xlogp("ambiguous") is None
+
+
 def test_get_compound_and_compounds():
     """Tests the Compound object retrieval functions."""
     cmpd = ci.get_compound("aspirin")

tests/test_api_helpers_unit.py

@@ -205,6 +205,26 @@ def test_get_batch_properties_invalid_response(self):
             result = api_helpers.get_batch_properties([1, 2], ["MolecularWeight"])
             assert result == {1: {}, 2: {}}
 
+    def test_get_batch_properties_pagination_fails_on_second_request(self):
+        """Test that pagination stops when a subsequent request fails."""
+        first_response = {
+            "PropertyTable": {"Properties": [{"CID": 1, "MolecularWeight": "100.0"}]},
+            "ListKey": "test_key_123",
+        }
+
+        # Second request returns invalid data (simulating a failure)
+        second_response = "invalid"
+
+        with mock.patch.object(
+            api_helpers,
+            "_fetch_with_ratelimit_and_retry",
+            side_effect=[first_response, second_response],
+        ):
+            result = api_helpers.get_batch_properties([1, 2], ["MolecularWeight"])
+            # Should only have data from first page since second page failed
+            assert 1 in result
+            assert result[1]["MolecularWeight"] == "100.0"
+
     def test_get_cas_for_cid_success(self):
         mock_response = {
             "Record": {

tests/test_cheminfo_api_unit.py

@@ -392,3 +392,69 @@ def test_draw_compound_image_request_fails(self):
                         result = cheminfo_api.draw_compound("caffeine")
                         assert result is None
                         mock_print.assert_called()
+
+
+class TestFetchScalar:
+    def test_property_with_invalid_type_returns_none(self):
+        """Test that properties with invalid types return None."""
+        with mock.patch.object(
+            cheminfo_api, "_resolve_to_single_cid", return_value=2519
+        ):
+            with mock.patch(
+                "ChemInformant.api_helpers.get_batch_properties",
+                return_value={2519: {"MolecularWeight": ["invalid", "list"]}},
+            ):
+                result = cheminfo_api._fetch_scalar(2519, "molecular_weight")
+                assert result is None
+
+
+class TestGetSynonyms:
+    def test_get_synonyms_returns_empty_list_on_not_found(self):
+        """Test that get_synonyms returns empty list when compound not found."""
+        result = cheminfo_api.get_synonyms("nonexistent")
+        assert result == []
+
+    def test_get_synonyms_returns_empty_list_on_ambiguous(self):
+        """Test that get_synonyms returns empty list when identifier is ambiguous."""
+        result = cheminfo_api.get_synonyms("ambiguous")
+        assert result == []
+
+
+class TestCompoundModel:
+    def test_safe_float_handles_invalid_types(self):
+        """Test that _safe_float returns None for invalid values."""
+        # Test with valid values
+        compound = Compound(
+            input_identifier="test",
+            cid="123",
+            status="OK",
+            molecular_weight=100.5,
+        )
+        assert compound.molecular_weight == 100.5
+
+        # Test with None
+        compound = Compound(
+            input_identifier="test", cid="123", status="OK", molecular_weight=None
+        )
+        assert compound.molecular_weight is None
+
+        # Test with empty string
+        compound = Compound(
+            input_identifier="test", cid="123", status="OK", molecular_weight=""
+        )
+        assert compound.molecular_weight is None
+
+        # Test with invalid string (ValueError)
+        compound = Compound(
+            input_identifier="test",
+            cid="123",
+            status="OK",
+            molecular_weight="not_a_number",
+        )
+        assert compound.molecular_weight is None
+
+        # Test with invalid type (TypeError) - using a complex object
+        compound = Compound(
+            input_identifier="test", cid="123", status="OK", molecular_weight={"key": "value"}
+        )
+        assert compound.molecular_weight is None