subject:"\[Rdkit\-discuss\] Capturing warnings"

Re: [Rdkit-discuss] Capturing warnings

2012-10-30 Thread Greg Landrum

Hi Grégori, On Mon, Oct 29, 2012 at 10:05 AM, Gerebtzoff, Gregori gregori.gerebtz...@roche.com wrote: Is there a clean way to capture the warnings generated by RDKit, for instance “Warning: ring stereochemistry detected. The output SMILES is not canonical”? I tried several approaches (the

[Rdkit-discuss] Capturing warnings

2012-10-29 Thread Gerebtzoff, Gregori

Hi List, Is there a clean way to capture the warnings generated by RDKit, for instance Warning: ring stereochemistry detected. The output SMILES is not canonical? I tried several approaches (the warnings python module, by redirecting the stderr with os.devnull, or try/except) but none of them