Added ability for .json() to accept kwargs. model.json() can now crea…

qcelemental/models/basemodels.py

@@ -127,6 +127,7 @@ def serialize(
         exclude_unset: Optional[bool] = None,
         exclude_defaults: Optional[bool] = None,
         exclude_none: Optional[bool] = None,
+        **kwargs,
     ) -> Union[bytes, str]:
         r"""Generates a serialized representation of the model
 
@@ -144,28 +145,30 @@ def serialize(
             If True, skips fields that have set or defaulted values equal to the default.
         exclude_none
             If True, skips fields that have value ``None``.
+        kwargs
+            For passing additional values like indent to serialization functions
 
         Returns
         -------
         ~typing.Union[bytes, str]
             The serialized model.
         """
 
-        kwargs = {}
+        dict_kwargs = {}
         if include:
-            kwargs["include"] = include
+            dict_kwargs["include"] = include
         if exclude:
-            kwargs["exclude"] = exclude
+            dict_kwargs["exclude"] = exclude
         if exclude_unset:
-            kwargs["exclude_unset"] = exclude_unset
+            dict_kwargs["exclude_unset"] = exclude_unset
         if exclude_defaults:
-            kwargs["exclude_defaults"] = exclude_defaults
+            dict_kwargs["exclude_defaults"] = exclude_defaults
         if exclude_none:
-            kwargs["exclude_none"] = exclude_none
+            dict_kwargs["exclude_none"] = exclude_none
 
-        data = self.dict(**kwargs)
+        data = self.dict(**dict_kwargs)
 
-        return serialize(data, encoding=encoding)
+        return serialize(data, encoding=encoding, **kwargs)
 
     def json(self, **kwargs):
         # Alias JSON here from BaseModel to reflect dict changes

qcelemental/tests/test_model_results.py

@@ -464,6 +464,14 @@ def test_failed_operation(result_data_fixture, request):
     assert "its all good" in failed_json
 
 
+def test_model_json_allows_kwargs(result_data_fixture):
+    result = qcel.models.AtomicResult(**result_data_fixture)
+    no_indent = result.json()
+    assert "\n" not in no_indent
+    indent = result.json(indent=2)
+    assert "\n" in indent
+
+
 def test_result_properties_array(request):
     lquad = [1, 2, 3, 2, 4, 5, 3, 5, 6]
 

qcelemental/util/serialization.py

@@ -203,21 +203,23 @@ def default(self, obj: Any) -> Any:
         return json.JSONEncoder.default(self, obj)
 
 
-def json_dumps(data: Any) -> str:
+def json_dumps(data: Any, **kwargs) -> str:
     r"""Safe serialization of a Python dictionary to JSON string representation using all known encoders.
 
     Parameters
     ----------
     data : Any
         A encodable python object.
+    kwargs : Any
+        Keyword arguments for json.dumps()
 
     Returns
     -------
     str
         A JSON representation of the data.
     """
 
-    return json.dumps(data, cls=JSONArrayEncoder)
+    return json.dumps(data, cls=JSONArrayEncoder, **kwargs)
 
 
 def json_loads(data: str) -> Any:
@@ -313,7 +315,7 @@ def msgpack_loads(data: str) -> Any:
 ## Helper functions
 
 
-def serialize(data: Any, encoding: str) -> Union[str, bytes]:
+def serialize(data: Any, encoding: str, **kwargs) -> Union[str, bytes]:
     r"""Encoding Python objects using the provided encoder.
 
     Parameters
@@ -322,6 +324,8 @@ def serialize(data: Any, encoding: str) -> Union[str, bytes]:
         A encodable python object.
     encoding : str
         The type of encoding to perform: {'json', 'json-ext', 'msgpack-ext'}
+    kwargs: Any
+        For passing additional kwargs to serialization functions, such as indent
 
     Returns
     -------
@@ -330,7 +334,7 @@ def serialize(data: Any, encoding: str) -> Union[str, bytes]:
 
     """
     if encoding.lower() == "json":
-        return json_dumps(data)
+        return json_dumps(data, **kwargs)
     elif encoding.lower() == "json-ext":
         return jsonext_dumps(data)
     elif encoding.lower() == "msgpack":