unhelpful error if rdkit is not installed

libAtoms / workflow

python workflow toolkit

GNU General Public License v2.0

24 stars 17 forks source link

Closed bernstei closed 1 month ago

bernstei commented 1 month ago

Add nicer error message when trying to use wfl.generate.smiles if rdkit isn't installed

closes #315

bernstei commented 1 month ago

merging despite failed test, since failure is unrelated.