From 217585e985ad491e0d6ddb08a96bbbe98fb036df Mon Sep 17 00:00:00 2001 From: Andrew White Date: Thu, 21 Nov 2024 22:51:03 -0800 Subject: [PATCH] Fixed str concat --- exmol/exmol.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/exmol/exmol.py b/exmol/exmol.py index 827cdb9..c2447c3 100644 --- a/exmol/exmol.py +++ b/exmol/exmol.py @@ -395,7 +395,7 @@ def _check_alphabet_consistency( if check and not smiles_symbols.issubset(alphabet_symbols): # show which symbols are not in alphabet raise ValueError( - "symbols not in alphabet" + smiles_symbols.difference(alphabet_symbols) + "symbols not in alphabet" + str(smiles_symbols.difference(alphabet_symbols)) ) return smiles_symbols.issubset(alphabet_symbols)