Improve checks for reading compound table

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

5 stars 6 forks source link

Improve checks for reading compound table #92

Open hechth opened 3 years ago

hechth commented 3 years ago

Apparently a compound table with invalid content is not caught by the as_compound_table function and the checks should be improved

[ ] Monoisotopic mass has to be larger than 0
[ ] Length of molecular formula string must be at least 1 character
[ ] Molecular formula must be only letters and numbers

Any more ideas for checks?