Hi,
On Tue, Jan 12, 2021 at 05:31:51PM +0200, Adrian Bunk wrote:
> matchobj = <re.Match object; span=(0, 11), match='PubChem:223'>
>
> def process_pubchem(matchobj):
> pubsearch = matchobj.group("pubsearch")
>
> # search pubchem for the provided string
> try:
> results = pubchem.get_pubchem_results(pubsearch)
> except Exception as e:
> > raise ValidationError(e.message)
> E qcelemental.exceptions.ValidationError: Input Error:
> PubchemError
> E <urlopen error [Errno 111] Connection refused>
> E received when trying to open
> E
> https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/223/property/IUPACName,MolecularFormula,Charge/JSON
> E Check your internet connection, and the above URL, and try
> again.
>
> qcelemental/molparse/from_string.py:309: ValidationError
I noticed, and I mentioned it in
https://github.com/MolSSI/QCElemental/issues/83#issuecomment-757475240
but no reply from upstream so far.
Michael
