fix: edited docstring and test comments based on UC1-2

Author: yucongalicechen

news/getmud.rst

@@ -1,6 +1,6 @@
 **Added:**
 
-* Functionalities to estimate sample mass density or capillary diameter from muD and related chemical info.
+* Functionalities to estimate sample mass density or capillary diameter from target muD and related chemical info.
 
 **Changed:**
 

src/diffpy/labpdfproc/getmud.py

@@ -5,8 +5,8 @@
 
 
 def estimate_mass_density(mud, diameter, sample_composition, energy):
-    """Estimate sample mass density (g/cm^3) from mu*D
-    using capillary diameter, sample composition, and energy.
+    """Estimate sample mass density (g/cm^3) from
+    muD, capillary diameter, sample composition, and energy.
 
     Parameters
     ----------
@@ -46,7 +46,8 @@ def estimate_diameter(
     sample_mass_density=None,
     packing_fraction=None,
 ):
-    """Estimate capillary diameter (mm) from mu*D and mu.
+    """Estimate capillary diameter (mm) from
+    muD, sample composition, energy, and mass density/packing fraction.
 
     Parameters
     ----------

tests/test_getmud.py

@@ -11,9 +11,9 @@
                 "mud": 2.0,
                 "diameter": 1.5,
                 "sample_composition": "ZrO2",
-                "energy": 20,
+                "energy": 17.45,  # Mo K_alpha source
             },
-            0.25,
+            1.0751,
         ),
     ],
 )
@@ -36,16 +36,16 @@ def test_estimate_mass_density(inputs, expected_mass_density):
             {
                 "mud": 2.0,
                 "sample_composition": "ZrO2",
-                "energy": 20,
-                "sample_mass_density": 0.25,
+                "energy": 17.45,
+                "sample_mass_density": 1.20,
             },
-            1.5,
+            1.3439,
         ),
         # (   # C2: user specifies a packing fraction
         #     {
         #         "mud": 2.0,
         #         "sample_composition": "ZrO2",
-        #         "energy": 20,
+        #         "energy": 17.45,
         #         "packing_fraction": 0.3
         #     },
         #     1.5