Use @property to prevent direct modification of all_arrays

news/setter-property.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* prevent direct modification of `all_arrays` using `@property`
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

src/diffpy/utils/diffraction_objects.py

@@ -181,6 +181,17 @@ def __rtruediv__(self, other):
             divided.on_q[1] = other.on_q[1] / self.on_q[1]
         return divided
 
+    @property
+    def all_arrays(self):
+        return self._all_arrays
+
+    @all_arrays.setter
+    def all_arrays(self, value):
+        raise AttributeError(
+            "Direct modification of 'all_arrays' is not allowed."
+            "Please use 'insert_scattering_quantity' to modify it."
+        )
+
     def set_angles_from_list(self, angles_list):
         self.angles = angles_list
         self.n_steps = len(angles_list) - 1.0
@@ -259,25 +270,25 @@ def get_angle_index(self, angle):
             raise IndexError(f"WARNING: no angle {angle} found in angles list")
 
     def _set_xarrays(self, xarray, xtype):
-        self.all_arrays = np.empty(shape=(len(xarray), 4))
+        self._all_arrays = np.empty(shape=(len(xarray), 4))
         if xtype.lower() in QQUANTITIES:
-            self.all_arrays[:, 1] = xarray
-            self.all_arrays[:, 2] = q_to_tth(xarray, self.wavelength)
-            self.all_arrays[:, 3] = q_to_d(xarray)
+            self._all_arrays[:, 1] = xarray
+            self._all_arrays[:, 2] = q_to_tth(xarray, self.wavelength)
+            self._all_arrays[:, 3] = q_to_d(xarray)
         elif xtype.lower() in ANGLEQUANTITIES:
-            self.all_arrays[:, 2] = xarray
-            self.all_arrays[:, 1] = tth_to_q(xarray, self.wavelength)
-            self.all_arrays[:, 3] = tth_to_d(xarray, self.wavelength)
+            self._all_arrays[:, 2] = xarray
+            self._all_arrays[:, 1] = tth_to_q(xarray, self.wavelength)
+            self._all_arrays[:, 3] = tth_to_d(xarray, self.wavelength)
         elif xtype.lower() in DQUANTITIES:
-            self.all_arrays[:, 3] = xarray
-            self.all_arrays[:, 1] = d_to_q(xarray)
-            self.all_arrays[:, 2] = d_to_tth(xarray, self.wavelength)
-        self.qmin = np.nanmin(self.all_arrays[:, 1], initial=np.inf)
-        self.qmax = np.nanmax(self.all_arrays[:, 1], initial=0.0)
-        self.tthmin = np.nanmin(self.all_arrays[:, 2], initial=np.inf)
-        self.tthmax = np.nanmax(self.all_arrays[:, 2], initial=0.0)
-        self.dmin = np.nanmin(self.all_arrays[:, 3], initial=np.inf)
-        self.dmax = np.nanmax(self.all_arrays[:, 3], initial=0.0)
+            self._all_arrays[:, 3] = xarray
+            self._all_arrays[:, 1] = d_to_q(xarray)
+            self._all_arrays[:, 2] = d_to_tth(xarray, self.wavelength)
+        self.qmin = np.nanmin(self._all_arrays[:, 1], initial=np.inf)
+        self.qmax = np.nanmax(self._all_arrays[:, 1], initial=0.0)
+        self.tthmin = np.nanmin(self._all_arrays[:, 2], initial=np.inf)
+        self.tthmax = np.nanmax(self._all_arrays[:, 2], initial=0.0)
+        self.dmin = np.nanmin(self._all_arrays[:, 3], initial=np.inf)
+        self.dmax = np.nanmax(self._all_arrays[:, 3], initial=0.0)
 
     def insert_scattering_quantity(
         self,
@@ -309,7 +320,7 @@ def insert_scattering_quantity(
 
         """
         self._set_xarrays(xarray, xtype)
-        self.all_arrays[:, 0] = yarray
+        self._all_arrays[:, 0] = yarray
         self.input_xtype = xtype
         # only update these optional values if non-empty quantities are passed to avoid overwriting
         # valid data inadvertently

tests/test_diffraction_objects.py

@@ -341,5 +341,27 @@ def test_dump(tmp_path, mocker):
 
 @pytest.mark.parametrize("inputs, expected", tc_params)
 def test_constructor(inputs, expected):
-    actualdo = DiffractionObject(**inputs)
-    compare_dicts(actualdo.__dict__, expected)
+    actual_do = DiffractionObject(**inputs)
+    actual_dict = {
+        "all_arrays": actual_do.all_arrays,
+        "metadata": actual_do.metadata,
+        "input_xtype": actual_do.input_xtype,
+        "name": actual_do.name,
+        "scat_quantity": actual_do.scat_quantity,
+        "qmin": actual_do.qmin,
+        "qmax": actual_do.qmax,
+        "tthmin": actual_do.tthmin,
+        "tthmax": actual_do.tthmax,
+        "dmin": actual_do.dmin,
+        "dmax": actual_do.dmax,
+        "wavelength": actual_do.wavelength,
+    }
+    compare_dicts(actual_dict, expected)
+
+
+def test_all_array_setter():
+    actual_do = DiffractionObject()
+
+    # Attempt to directly modify the property
+    with pytest.raises(AttributeError, match="Direct modification of 'all_arrays' is not allowed."):
+        actual_do.all_arrays = np.empty((4, 4))