The fragment driver (src/ghostfragment/drivers/fragment.cpp) is currently out of synch with other changes. It should be re-enabled. For clarity the first module it calls should be a module like the HeavyAtom module (so satisfying FragmentedNuclei), the second call should be to a module satisfying MolecularGraph, and the third call should be to a module satisfying MolecularGraphToFragments
The fragment driver (
src/ghostfragment/drivers/fragment.cpp
) is currently out of synch with other changes. It should be re-enabled. For clarity the first module it calls should be a module like theHeavyAtom
module (so satisfyingFragmentedNuclei
), the second call should be to a module satisfyingMolecularGraph
, and the third call should be to a module satisfyingMolecularGraphToFragments