diff --git a/reacnetgenerator/_reachtml.py b/reacnetgenerator/_reachtml.py index 727fb03d8..6efafeeff 100644 --- a/reacnetgenerator/_reachtml.py +++ b/reacnetgenerator/_reachtml.py @@ -60,8 +60,11 @@ def _re(self, smi): [CH] >>> self._re('Na') [Na] + >>> self._re('[H]c(Cl)C([H])Cl') + [H][c]([Cl])[C]([H])[Cl] """ - elements = "|".join([((an.upper() + "|" + an.lower()) if len(an)==1 else an) for an in self.atomname if an != 'H']) + Satom = sorted(self.atomname, key = lambda i:len(i), reverse=True) + elements = "|".join([((an.upper() + "|" + an.lower()) if len(an)==1 else an) for an in Satom if an != 'H']) smi = re.sub(r'(?