Maybe this helps (at least, it is from Greg):

https://github.com/rdkit/rdkit/issues/642

Markus

On Mon, Jan 21, 2019 at 2:25 PM Jean-Marc Nuzillard <
jm.nuzill...@univ-reims.fr> wrote:

> My problem is more to know which molecules cause problems
> than avoiding the printing of warning messages in the console window.
> I am looking for an option that would turn warnings into errors, if any.
>
> Jean-Marc
>
>
>
> Le 21/01/2019 à 13:44, Stephen O'hagan a écrit :
> > I've had similar problems; none of the claimed methods to switch off
> RDKit logging of warnings has worked for me.
> >
> > I ended up just re-directing stderr when running the script like this:
> >
> > python myfile.py  2> myErrorLog.txt
> >
> > ====================
> > Dr. Steve O'Hagan,
> >
> >
> > -----Original Message-----
> > From: Jean-Marc Nuzillard [mailto:jm.nuzill...@univ-reims.fr]
> > Sent: 21 January 2019 12:33
> > To: RDKit Discuss <rdkit-discuss@lists.sourceforge.net>
> > Subject: [Rdkit-discuss] Warning as error
> >
> > Dear all,
> >
> > The minimalist python code:
> >       reader = Chem.SDMolSupplier('my_file.sdf')
> >       for mol in reader:
> >           pass
> >
> > gives me warning messages when run on a particular SD file.
> > How can I simply run a specific action for the molecules that cause
> problem, possibly using  try/catch statements?
> > Best,
> >
> > Jean-Marc
> >
> >
> > --
> > Jean-Marc Nuzillard
> > Directeur de Recherches au CNRS
> >
> > Institut de Chimie Moléculaire de Reims
> > CNRS UMR 7312
> > Moulin de la Housse
> > CPCBAI, Bâtiment 18
> > BP 1039
> > 51687 REIMS Cedex 2
> > France
> >
> > Tel : 03 26 91 82 10
> > Fax : 03 26 91 31 66
> > http://www.univ-reims.fr/ICMR
> > http://eos.univ-reims.fr/LSD/CSNteam.html
> >
> > http://www.univ-reims.fr/LSD/
> > http://www.univ-reims.fr/LSD/JmnSoft/
> >
> >
> > ---
> > L'absence de virus dans ce courrier électronique a été vérifiée par le
> logiciel antivirus Avast.
> > https://www.avast.com/antivirus
> >
> >
> >
> > _______________________________________________
> > Rdkit-discuss mailing list
> > Rdkit-discuss@lists.sourceforge.net
> > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
>
> --
> Jean-Marc Nuzillard
> Directeur de Recherches au CNRS
>
> Institut de Chimie Moléculaire de Reims
> CNRS UMR 7312
> Moulin de la Housse
> CPCBAI, Bâtiment 18
> BP 1039
> 51687 REIMS Cedex 2
> France
>
> Tel : 03 26 91 82 10
> Fax : 03 26 91 31 66
> http://www.univ-reims.fr/ICMR
> http://eos.univ-reims.fr/LSD/CSNteam.html
>
> http://www.univ-reims.fr/LSD/
> http://www.univ-reims.fr/LSD/JmnSoft/
>
>
>
> _______________________________________________
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to