Open Babel Error for two-character elements

[yohsama]

==============================
*** Open Babel Error  in ParseSimple
  SMILES string contains a character 'l' which is invalid
==============================

The problem is shown in handling isomer contains chlorine.
it seems the Cl will be replaced as [C]l. I changed the priority in regular matching, make two character elements get match first and it works. Hope it helps.

smi="[H]c(Cl)C([H])Cl"
print(R.atomname)
elements = "|".join([((an.upper() + "|" + an.lower()) if len(an)==1 else an) for an in R.atomname if an != 'H'])
print(elements)
resmi=re.sub(r'(?<!\[)(' + elements + r')(?!H)', r'[\1]', smi)
print(resmi)
Satom=sorted(R.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'])
print(elements)
resmi=re.sub(r'(?<!\[)(' + elements + r')(?!H)', r'[\1]', smi)
print(resmi)

['C' 'Cl' 'H']
C|c|Cl
[H][c]([C]l)[C]([H])[C]l
['Cl', 'C', 'H']
Cl|C|c
[H][c]([Cl])[C]([H])[Cl]

[njzjz]

@yohsama I made a pull request in #1537. Could you review it?

[njzjz]

🎉 This issue has been resolved in version 1.4.166 🎉

The release is available on GitHub release

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