Merge branch 'main' into scattering-obj-valid

Author: bobleesj

news/config-UX.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* <news item>
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* additional information to users to relieve frustration in finding how to update global config
+
+**Security:**
+
+* <news item>

news/deepcopy.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* copy() method for DiffractionObject instance
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

src/diffpy/utils/diffraction_objects.py

@@ -471,3 +471,14 @@ def dump(self, filepath, xtype=None):
                 f.write(f"{key} = {value}\n")
             f.write("\n#### start data\n")
             np.savetxt(f, data_to_save, delimiter=" ")
+
+    def copy(self):
+        """
+        Create a deep copy of the DiffractionObject instance.
+
+        Returns
+        -------
+        DiffractionObject
+            A new instance of DiffractionObject, which is a deep copy of the current instance.
+        """
+        return deepcopy(self)

src/diffpy/utils/tools.py

@@ -83,6 +83,11 @@ def _create_global_config(args):
     return_bool = False if username is None or email is None else True
     with open(Path().home() / "diffpyconfig.json", "w") as f:
         f.write(json.dumps({"username": stringify(username), "email": stringify(email)}))
+    print(
+        f"You can manually edit the config file at {Path().home() / 'diffpyconfig.json'} using any text editor.\n"
+        f"Or you can update the config file by passing new values to get_user_info(), "
+        f"see examples here: https://www.diffpy.org/diffpy.utils/examples/toolsexample.html"
+    )
     return return_bool
 
 

tests/test_diffraction_objects.py

@@ -426,3 +426,16 @@ def test_xtype_setter():
         "Please use 'insert_scattering_quantity' to modify 'xtype'.",
     ):
         do.xtype = "q"
+
+def test_copy_object():
+    do = DiffractionObject(
+        name="test",
+        wavelength=4.0 * np.pi,
+        xarray=np.array([0.0, 90.0, 180.0]),
+        yarray=np.array([1.0, 2.0, 3.0]),
+        xtype="tth",
+    )
+    do_copy = do.copy()
+    assert do == do_copy
+    assert id(do) != id(do_copy)
+