RECETOX / recetox-xMSannotator

This is a custom adaptation of the original version of xMSannotator. It is a complete rewrite of the original functionality, following the same program structure.
GNU General Public License v3.0
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october: Adapter bugfix #75

Closed maximskorik closed 2 years ago

maximskorik commented 2 years ago

This PR fixes some bugs introduced with the adapter function in #73:

hechth commented 2 years ago

Regarding the name column, I'd suggest reading it from the compound table if it is there and then at least add it in the end since an output table without compound names is not that user friendly.

maximskorik commented 2 years ago

Regarding the name column, I'd suggest reading it from the compound table if it is there and then at least add it in the end since an output table without compound names is not that user friendly.

I totally agree that the final output should contain compound names. Unfortunately, the compound table doesn't contain names either, so we should look for a solution for obtaining names from the formula. I'll add an issue.

hechth commented 2 years ago

@maximskorik The compound table doesn't contain names because they are not loaded, I already addressed this in my current working version of #71