Log LOMAP errors?

[dwhswenson]

Currently we hide any errors coming from LOMAP in the atom mapper. This is so that we can feed it ligands that might not be able to be mapped at all, and it acts as a sort of filter.

But this also means that it tedious to debug any issues that pop up in LOMAP, because we just get back no mappings with no feedback as to what went wrong. To get any details, you need to drop out of the OpenFE world and into the raw LOMAP/RDKit.

Maybe we make should the errors we catch into an INFO level log event?

[richardjgowers]

I think in general we need to add good logging everywhere, but it’s more than just sporadic logging calls.

…

On Fri, Apr 15, 2022 at 20:29, David W.H. Swenson ***@***.***> wrote: Currently we hide any errors coming from LOMAP in the atom mapper. This is so that we can feed it ligands that might not be able to be mapped at all, and it acts as a sort of filter. But this also means that it tedious to debug any issues that pop up in LOMAP, because we just get back no mappings with no feedback as to what went wrong. To get any details, you need to drop out of the OpenFE world and into the raw LOMAP/RDKit. Maybe we make should the errors we catch into an INFO level log event? — Reply to this email directly, view it on GitHub <#35>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ACGSGB7A5V2Z4PNNRFNBQE3VFG7SDANCNFSM5TRDVQSQ> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>