Merge 9136c7a into e557bbb

pckroon · Jun 9, 2023 · 6691f2b · 6691f2b
2 parents e557bbb + 9136c7a
commit 6691f2b
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Showing 2 changed files with 11 additions and 1 deletion.
diff --git a/pysmiles/smiles_helper.py b/pysmiles/smiles_helper.py
@@ -142,7 +142,7 @@ def format_atom(molecule, node_key, default_element='*'):
         name = name.lower()
 
     if (stereo is None and isotope == '' and charge == 0 and default_h and
-            class_ == '' and name.lower() in 'b c n o p s se as *'.split()):
+            class_ == '' and name.lower() in 'b c n o p s *'.split()):
         return name
 
     if hcount:

diff --git a/tests/test_write_smiles.py b/tests/test_write_smiles.py
@@ -130,6 +130,16 @@
          (2, 3, {'order': 1})],
         False
     ),
+    (
+      [(0, {'element': 'Se', 'charge': 0, 'aromatic': False, 'hcount': 0})],
+      [],
+      False
+    ),
+    (
+      [(0, {'element': 'As', 'charge': 0, 'aromatic': False, 'hcount': 0})],
+      [],
+      False
+    ),
 ))
 def test_write_smiles(node_data, edge_data, expl_h):
     mol = make_mol(node_data, edge_data)