fix: match cf names to srfit 3.4.0

news/cf-names-match-srfit.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* No news added: The unreleased fix-cfs news item already covers the characteristic function changes and lists the srfit 3.4.0 names.
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

news/fix-cfs.rst

@@ -4,7 +4,7 @@
 
 **Changed:**
 
-* Rename the parameters of the characteristic functions ``spherical_particle``, ``spheroidal_particle``, ``lognormal_spherical_distribution``, ``sheet_particle``, and ``spherical_shell`` to match ``diffpy.srfit.pdf.characteristicfunctions``.
+* Rename the parameters of the characteristic functions ``spherical_particle``, ``spheroidal_particle``, ``lognormal_spherical_particle``, ``sheet_particle``, and ``shell_particle`` to match ``diffpy.srfit.pdf.characteristicfunctions``.
 * Issue a ``RuntimeWarning`` once per process when a characteristic function is given non-physical input and returns zero.
 
 **Deprecated:**

src/diffpy/cmipdf/characteristicfunctions.py

@@ -28,9 +28,9 @@
 __all__ = [
     "spherical_particle",
     "spheroidal_particle",
-    "lognormal_spherical_distribution",
+    "lognormal_spherical_particle",
     "sheet_particle",
-    "spherical_shell",
+    "shell_particle",
 ]
 
 import warnings
@@ -245,7 +245,7 @@ def spheroidal_particle(r, equatorial_radius, polar_radius):
     return f
 
 
-def lognormal_spherical_distribution(
+def lognormal_spherical_particle(
     r, particle_diameter, particle_diameter_sigma
 ):
     """Compute the spherical nanoparticle characteristic function with
@@ -298,13 +298,13 @@ def lognormal_spherical_distribution(
     """
     if particle_diameter <= 0:
         _warn_non_physical(
-            "lognormal_spherical_distribution",
+            "lognormal_spherical_particle",
             "'particle_diameter' must be positive",
         )
         return numpy.zeros(numpy.shape(r), dtype=float)
     if particle_diameter_sigma < 0:
         _warn_non_physical(
-            "lognormal_spherical_distribution",
+            "lognormal_spherical_particle",
             "'particle_diameter_sigma' must not be negative",
         )
         return numpy.zeros(numpy.shape(r), dtype=float)
@@ -323,7 +323,7 @@ def lognormal_spherical_distribution(
     mu = log(particle_diameter) - s * s / 2
     if mu < 0:
         _warn_non_physical(
-            "lognormal_spherical_distribution",
+            "lognormal_spherical_particle",
             "'particle_diameter' is too small for 'particle_diameter_sigma'",
         )
         return numpy.zeros(numpy.shape(r), dtype=float)
@@ -394,7 +394,7 @@ def sheet_particle(r, sheet_thickness):
     return characteristic_function
 
 
-def spherical_shell(r, radius, thickness):
+def shell_particle(r, radius, thickness):
     """Compute the spherical shell characteristic function.
 
     The outer radius equals ``radius + thickness``. From Lei et al.,
@@ -423,10 +423,10 @@ def spherical_shell(r, radius, thickness):
         rather than an error and does not warn.
     """
     if thickness <= 0:
-        _warn_non_physical("spherical_shell", "'thickness' must be positive")
+        _warn_non_physical("shell_particle", "'thickness' must be positive")
         return numpy.zeros(numpy.shape(r), dtype=float)
     if radius < 0:
-        _warn_non_physical("spherical_shell", "'radius' must not be negative")
+        _warn_non_physical("shell_particle", "'radius' must not be negative")
         return numpy.zeros(numpy.shape(r), dtype=float)
 
     d = 1.0 * thickness

tests/test_characteristicfunctions.py

@@ -131,13 +131,13 @@ def test_spheroidal_particle(
         ),
     ],
 )
-def test_lognormal_spherical_distribution(
+def test_lognormal_spherical_particle(
     input_r,
     input_particle_diameter,
     input_particle_diameter_sigma,
     expected_characteristic_function,
 ):
-    actual_characteristic_function = cf.lognormal_spherical_distribution(
+    actual_characteristic_function = cf.lognormal_spherical_particle(
         input_r, input_particle_diameter, input_particle_diameter_sigma
     )
     npt.assert_allclose(
@@ -196,10 +196,10 @@ def test_sheet_particle(
         ),
     ],
 )
-def test_spherical_shell(
+def test_shell_particle(
     input_r, input_radius, input_thickness, expected_characteristic_function
 ):
-    actual_characteristic_function = cf.spherical_shell(
+    actual_characteristic_function = cf.shell_particle(
         input_r, input_radius, input_thickness
     )
     npt.assert_allclose(
@@ -264,7 +264,7 @@ def test_spherical_shell(
         # Expected: zero everywhere, warning that the diameter must be
         # positive.
         (
-            "lognormal_spherical_distribution",
+            "lognormal_spherical_particle",
             (numpy.array([1.0, 2.0]), 0.0, 1.0),
             "'particle_diameter' must be positive",
         ),
@@ -274,7 +274,7 @@ def test_spherical_shell(
         # Expected: zero everywhere, warning that the width must not be
         # negative.
         (
-            "lognormal_spherical_distribution",
+            "lognormal_spherical_particle",
             (numpy.array([1.0, 5.0, 10.0]), 10.0, -2.0),
             "'particle_diameter_sigma' must not be negative",
         ),
@@ -284,7 +284,7 @@ def test_spherical_shell(
         # Expected: zero everywhere, warning that the diameter is too small
         # for the width.
         (
-            "lognormal_spherical_distribution",
+            "lognormal_spherical_particle",
             (numpy.array([1.0, 5.0]), 2.0, 4.0),
             "'particle_diameter' is too small for 'particle_diameter_sigma'",
         ),
@@ -310,7 +310,7 @@ def test_spherical_shell(
         # Expected: zero everywhere, warning that the thickness must be
         # positive.
         (
-            "spherical_shell",
+            "shell_particle",
             (numpy.array([1.0, 5.0, 10.0]), 10.0, 0.0),
             "'thickness' must be positive",
         ),
@@ -320,15 +320,15 @@ def test_spherical_shell(
         # Expected: zero everywhere, warning that the thickness must be
         # positive.
         (
-            "spherical_shell",
+            "shell_particle",
             (numpy.array([1.0, 5.0, 10.0]), 10.0, -5.0),
             "'thickness' must be positive",
         ),
         # C12: the shell inner radius is negative.
         # Expected: zero everywhere, warning that the radius must not be
         # negative.
         (
-            "spherical_shell",
+            "shell_particle",
             (numpy.array([1.0, 5.0, 10.0]), -20.0, 5.0),
             "'radius' must not be negative",
         ),
@@ -366,7 +366,7 @@ def test_non_physical_input_returns_zero_and_warns(
         # Expected: matches spherical_particle for the same diameter, with no
         # warning.
         (
-            "lognormal_spherical_distribution",
+            "lognormal_spherical_particle",
             (numpy.array([1.0, 5.0, 10.0]), 10.0, 0.0),
             cf.spherical_particle(numpy.array([1.0, 5.0, 10.0]), 10.0),
         ),
@@ -375,7 +375,7 @@ def test_non_physical_input_returns_zero_and_warns(
         # Expected: matches spherical_particle for twice the thickness, with
         # no warning.
         (
-            "spherical_shell",
+            "shell_particle",
             (numpy.array([1.0, 5.0, 10.0]), 0.0, 5.0),
             cf.spherical_particle(numpy.array([1.0, 5.0, 10.0]), 10.0),
         ),