getMolecule(): wrong formula causes R crash

[mhische-md]

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]

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]

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

[janlisec]

Fixed in PR #32