✏️ minor fix.

volkamerlab · Sep 30, 2021 · 188ada4 · 188ada4
1 parent 8d7e097
commit 188ada4
Show file tree

Hide file tree

Showing 2 changed files with 1 addition and 2 deletions.
diff --git a/maxsmi/utils_encoding.py b/maxsmi/utils_encoding.py
@@ -44,7 +44,6 @@ def char_replacement(list_smiles):
         smile.replace("Cl", "L")
         .replace("Br", "R")
         .replace("Se", "E")
-        .replace("se", "e")
         .replace("Zn", "Z")
         .replace("Si", "T")
         .replace("@@", "$")

diff --git a/maxsmi/utils_smiles.py b/maxsmi/utils_smiles.py
@@ -353,7 +353,7 @@ def smiles_from_folder_name(url_encoded_smiles):
     # aromatic atoms
     "b",  # boron
     "c",  # carbon
-    "e",  # remplacement for se
+    "e",  # use case
     "i",  # iodine
     "n",  # nitrogen
     "o",  # oxygen