Commit 3e8ef5ae authored by Jana Schor's avatar Jana Schor
Browse files

canonical smiles transformation enabled, exit statement removded

parent 474490f1
......@@ -279,7 +279,7 @@ def XfromInput(csvfilename, rtype, fptype, printfp=False, retNames=False, size=2
#Ncols = len(DataStructs.BitVectToText(fps[0]))
if verbose > 0:
print(f'[INFO] Returned # of fingerprints: {Nrows}')
# Store all fingerprints in numpy array
x = np.empty((Nrows, Ncols), int)
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