search

sneumann / Rdisop

This is the git repository matching the Bioconductor package Rdisop: Decomposition of Isotopic Patterns
4 stars 7 forks source link

Asking for 0 isotopes causes R crash #20

Open wkumler opened 4 years ago

wkumler commented 4 years ago

Hi, awesome package! I've been using it for a while and just now tried to use it to identify MSMS fragment formulas, which means I don't need the isotope data. However, when I set maxisotopes=0, it causes R to crash.

E.g.:

library(Rdisop)
decomposeMass(mass = 147.0529, maxisotopes = 0)

It's not critically important because I can just ignore the isotope data, but took me while to debug and returning an error or warning instead would be super helpful.