test negative cases in TestElement.test_attributes

materialsproject · May 3, 2024 · c06a24c · c06a24c
1 parent fc66bdf
commit c06a24c
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Showing 2 changed files with 25 additions and 22 deletions.
diff --git a/pymatgen/core/periodic_table.py b/pymatgen/core/periodic_table.py
@@ -740,8 +740,8 @@ def is_actinoid(self) -> bool:
 
     @property
     def is_radioactive(self) -> bool:
-        """True if element is a radioactive element."""
-        return self.Z in (43, 61) or self.Z > 83
+        """True if element is radioactive."""
+        return self.Z in (43, 61) or self.Z >= 84
 
     @property
     def is_quadrupolar(self) -> bool:

diff --git a/tests/core/test_periodic_table.py b/tests/core/test_periodic_table.py
@@ -227,22 +227,25 @@ def test_ground_state_term_symbol(self):
             assert Element(key).ground_state_term_symbol == val
 
     def test_attributes(self):
-        is_true = {
-            ("Xe", "Kr"): "is_noble_gas",
-            ("Fe", "Ni"): "is_transition_metal",
-            ("Li", "Cs"): "is_alkali",
-            ("Ca", "Mg"): "is_alkaline",
-            ("F", "Br", "I"): "is_halogen",
-            ("La",): "is_lanthanoid",
-            ("U", "Pu"): "is_actinoid",
-            ("Si", "Ge"): "is_metalloid",
-            ("O", "Te"): "is_chalcogen",
-            ("Tc", "Po"): "is_radioactive",
+        bool_attrs = {
+            ("Xe", "Kr"): ("is_noble_gas", True),
+            ("H", "Cl"): ("is_noble_gas", False),
+            ("Fe", "Ni"): ("is_transition_metal", True),
+            ("Li", "Cs"): ("is_alkali", True),
+            ("Ca", "Mg"): ("is_alkaline", True),
+            ("F", "Br", "I"): ("is_halogen", True),
+            ("La", "Ce", "Lu"): ("is_lanthanoid", True),
+            ("U", "Pu"): ("is_actinoid", True),
+            ("Si", "Ge"): ("is_metalloid", True),
+            ("O", "Te"): ("is_chalcogen", True),
+            ("N", "Sb", "Ta"): ("is_chalcogen", False),
+            ("Tc", "Po"): ("is_radioactive", True),
+            ("H", "Li", "Bi"): ("is_radioactive", False),
         }
 
-        for key, val in is_true.items():
-            for sym in key:
-                assert getattr(Element(sym), val), f"{sym=} is false"
+        for elements, (attr, expected) in bool_attrs.items():
+            for elem in elements:
+                assert getattr(Element(elem), attr) is expected, f"{elem=} {attr=}, {expected=}"
 
         keys = (
             "atomic_mass",
@@ -289,15 +292,15 @@ def test_attributes(self):
         # Test all elements up to Uranium
         for idx in range(1, 104):
             el = Element.from_Z(idx)
-            for key in keys:
-                key_str = key.capitalize().replace("_", " ")
+            for elements in keys:
+                key_str = elements.capitalize().replace("_", " ")
                 if key_str in el.data and (not str(el.data[key_str]).startswith("no data")):
-                    assert getattr(el, key) is not None
-                elif key == "long_name":
+                    assert getattr(el, elements) is not None
+                elif elements == "long_name":
                     assert el.long_name == el.data["Name"]
-                elif key == "iupac_ordering":
+                elif elements == "iupac_ordering":
                     assert "IUPAC ordering" in el.data
-                    assert getattr(el, key) is not None
+                    assert getattr(el, elements) is not None
 
             if len(el.oxidation_states) > 0:
                 assert max(el.oxidation_states) == el.max_oxidation_state