Added get and plot methods for TICs and BPCs

rickhelmus / patRoon

Workflow solutions for mass-spectrometry based non-target analysis.

https://rickhelmus.github.io/patRoon/

GNU General Public License v3.0

58 stars 17 forks source link

Added get and plot methods for TICs and BPCs #99

Closed ricardo-cunha closed 4 months ago

ricardo-cunha commented 5 months ago

Hi Rick,

I added get and plot methods for TICs and BPCs in features and featureGroups. Have a look if that goes towards what we discussed. If so, I would go no with other extraction methods. I added another mzR function but that would then be iteractive with the backend selected.

Cheers, Ricardo

rickhelmus commented 5 months ago

Great, thanks!

Some general things I forgot to mention before:

Can you add yourself in @author fields for the new methods?
Can you add a short bullet in the NEWS.md file?
This may be a bit more involving... but a few tests would be good for the new exported functions. I'm not sure how familiar you are with testthat in general. For now what comes to my mind are some simple tests that check if the right columns are present with the getXX functions and to add some references for the plotXXX functions. If you need help (or prefer me to do it) just let me know!

Thanks, Rick

ricardo-cunha commented 4 months ago

Hi Rick,

alright, have a look at the analysisInfo data.frame methods. I hope it goes along with your idea. I took the initiative to build a new .Rd for the analysisInfo data.frame methods as the idea is to expand. I hope is ok. To assert the analysisInfo df, I used the already present function. Is it enough? I adapted the feature and featureGroups to use the data.frame methods for TIC and BPC. Added author, tests (see if it is as you expected) and a news entry as you suggested.

Cheers, Ricardo

rickhelmus commented 4 months ago

Great, thanks!

I added a few minor changes (mainly stylistic) and rebased to master. For the latter I had to do a force push.

Thanks, Rick