glasgowcompbio / vimms

A programmable and modular LC/MS simulator in Python
MIT License
19 stars 6 forks source link

fixed iss60, added test #61

Closed sdrogers closed 4 years ago

sdrogers commented 4 years ago

Please check thoroughly..in particular, I have no idea how the code downstream works, so my new code (in which 'M+H' will not necessarily be the first adduct returned by the method) will still work. It looks to me like it should as the return is a list of adduct names and their proportions.

sdrogers commented 4 years ago

(this fixes #60)