Merge pull request #261 from hjkgrp/doc_fix

docstring and comment typo fix
hjkgrp · Aug 21, 2024 · c72bca0 · c72bca0
2 parents 0ed95c5 + 3555066
commit c72bca0
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diff --git a/molSimplify/Classes/mol3D.py b/molSimplify/Classes/mol3D.py
@@ -2196,7 +2196,7 @@ def getHsbyAtom(self, ratom):
 
         Returns
         -------
-            hlist : list
+            nHs : list
                 List of indices of hydrogen atoms bound to reference atom3D.
 
         """
@@ -2219,7 +2219,7 @@ def getHsbyIndex(self, idx):
 
         Returns
         -------
-            hlist : list
+            nHs : list
                 List of indices of hydrogen atoms bound to reference atom.
 
         """

diff --git a/molSimplify/Scripts/nn_prep.py b/molSimplify/Scripts/nn_prep.py
@@ -466,7 +466,7 @@ def ANN_preproc(args, ligs: List[str], occs: List[int], dents: List[int],
     print(('ANN high spin bond length is predicted to be: ' +
            "{0:.2f}".format(float(r_hs)) + ' angstrom'))
 
-    # use ANN to predict fucntional sensitivty
+    # use ANN to predict functional sensitivty
     HFX_slope = 0
     HFX_slope = get_slope(slope_excitation)
     print(('Predicted HFX exchange sensitivity is : ' +