search

sneumann / Rdisop

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

getMolecule(): wrong formula causes R crash #3

Open mhische-md opened 9 years ago

mhische-md commented 9 years ago

In getMolecule()submitting a string of numbers crashes the R session. Example:

getMolecule( "3" )

Is there any way to catch this and throw an error instead, as it is done for getMolecule( "X" )?

jalic commented 8 years ago

Hi Manu, I use enviPat::check_chemform() to ensure valid formulas before passing this to any (!) Rdisop function. Hope you are well. Bests [jan]

mhische-md commented 7 years ago

Hi Jan,

thanks for the hint! I was wondering, if catching this within the package would make the functions more stable.

Anyway, nice to see you here & I hope you are fine. Cheers Manu