Merge pull request #21 from sebastiandro/master

from_smiles descriptors are returned in the same order as input SMILES
ecrl · Apr 13, 2021 · dedafa8 · dedafa8
2 parents 7998b92 + aebdf48
commit dedafa8
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/padelpy/functions.py b/padelpy/functions.py
@@ -68,7 +68,8 @@ def from_smiles(smiles, output_csv: str = None, descriptors: bool = True,
                 d_2d=descriptors,
                 d_3d=descriptors,
                 fingerprints=fingerprints,
-                sp_timeout=timeout
+                sp_timeout=timeout,
+                retainorder=True
             )
             break
         except RuntimeError as exception: