[x] This comment contains a description of changes (with reason)
[ ] Referenced issue is linked
[x] If you've fixed a bug or added code that should be tested, add tests!
[ ] Documentation in docs is updated
Description of changes
added TMT test for annotation and fixed adding the n-term mod mass to y2-yn ions
Technical details
Instead of just adding a potential n-term mod mass to the first aa position before adding all other mod masses to the respecitve aa masses, the n-term mod mass is removed from the mod dictionary mapping the mod positions in the aa sequence to their mass. Since n-term mods are stored at position -2, this lead to y2-yn ions getting it added by mistake after calculating the cumsum.
PR Checklist
docsis updatedDescription of changes
Technical details
Instead of just adding a potential n-term mod mass to the first aa position before adding all other mod masses to the respecitve aa masses, the n-term mod mass is removed from the mod dictionary mapping the mod positions in the aa sequence to their mass. Since n-term mods are stored at position -2, this lead to y2-yn ions getting it added by mistake after calculating the cumsum.
Additional context