Add experimental is_np_dict_equal_try_except function

src/pymatgen/util/misc.py

@@ -6,7 +6,7 @@
 
 
 def is_np_dict_equal(dict1, dict2, /) -> bool:
-    """Compare two dict whose value could be np arrays.
+    """Compare two dict whose value could be NumPy arrays.
 
     Args:
         dict1 (dict): The first dict.
@@ -19,3 +19,25 @@ def is_np_dict_equal(dict1, dict2, /) -> bool:
         return False
 
     return all(np.array_equal(dict1[key], dict2[key]) for key in dict1)
+
+
+def is_np_dict_equal_try_except(dict1, dict2, /) -> bool:
+    """Another implementation with try-except.
+
+    TODO: need speed test.
+    """
+    if dict1.keys() != dict2.keys():
+        return False
+
+    for key in dict1:
+        value1 = dict1[key]
+        value2 = dict2[key]
+
+        try:
+            if value1 != value2:
+                return False
+        except ValueError:
+            if not np.array_equal(value1, value2):
+                return False
+
+    return True