tutorial_basics lots of warnings when mytfa.prepare()

EPFL-LCSB / pytfa

A Python 3 implementation of Thermodynamics-based Flux Analysis

https://lcsb.epfl.ch/

Apache License 2.0

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tutorial_basics lots of warnings when mytfa.prepare() #39

Closed mretier closed 4 years ago

mretier commented 4 years ago

Dear pytfa team, I'd like to try pytfa for some analysis.

I started by working through the tutorial_basics.py. When running the script, it throws a lot of 'Warning : NULL/U' and 'Warning : Null/L' messages at me during the mytfa.prepare() step.

Can you explain the meaning of these warnings, is it expected behavior?

Thanks a lot.

Cheers, Michael

psalvy commented 4 years ago

Ciao Michael, Thank you for reaching out to us ! And sorry for the late reply. Yes, these warnings actually come from Cobra while reading non-canonical chemical formulas, some of them have "FULL" in them. F is interpreted as Fluorine, but the U and L raise warnings. Hope it helps ! And feel free to ask more questions :) Cheers, Pierre

mretier commented 4 years ago

Thank you, Pierre, for the answer!