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docstring and comment typo fix #261

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merged 1 commit into from
Aug 21, 2024
Merged

docstring and comment typo fix #261

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4 changes: 2 additions & 2 deletions molSimplify/Classes/mol3D.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2196,7 +2196,7 @@ def getHsbyAtom(self, ratom):

Returns
-------
hlist : list
nHs : list
List of indices of hydrogen atoms bound to reference atom3D.

"""
Expand All @@ -2219,7 +2219,7 @@ def getHsbyIndex(self, idx):

Returns
-------
hlist : list
nHs : list
List of indices of hydrogen atoms bound to reference atom.

"""
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2 changes: 1 addition & 1 deletion molSimplify/Scripts/nn_prep.py
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Expand Up @@ -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 : ' +
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