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snurr-group / mofid

A system for rapid identification and analysis of metal-organic frameworks
https://snurr-group.github.io/mofid/
GNU General Public License v2.0
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Clean up stderr #15

Closed bbucior closed 5 years ago

bbucior commented 5 years ago

Now that Open Babel writes to InChI and InChIKey for the MOFkey and linker stats, stderr is getting flooded by warnings from the inchi format. The quantity of warnings is making it hard to find other warnings and errors from elsewhere in the MOFid code and greatly inflates the log file.

We should consider writing them to a separate file and optionally print out a single summary warning with a more interpretable message.

Andrew-S-Rosen commented 5 years ago

If the same could be done for the OpenBabel stdout text regarding the unusual valences, that would be great too.

bbucior commented 5 years ago

After commit 7090e42, the Travis build log (gcc) went from 7115 lines down to 4025 (including all of the C++ compilation steps, json output, etc.). I also tested one of the CoRE MOFs, ACOCOM_clean.cif, which went from over 1000 lines of stderr down to ~8 after filtering out duplicate error messages (from format conversions).

GitHub will automatically close this issue after I merge this code to master, but feel free to re-open if you encounter anything else.