Comments (5)
Won't work, Lomap gives filenames and we want the node IDs to be more than this (at least a SMILES)
from openfe.
We can't have a way to load those files into our Molecule
? (Maybe this isn't for the Lomap recreation milestone, but it isn't clear to me why it's impossible.)
from openfe.
Possibly make it a feature request upstream? It would be a lot easier for lomap to generate the necessary objects and make them available than for us to have to try to process the current output. Plus it makes it a sort of example on how we want things we interact with to work (i.e. essentially "lets not make passing in files something we treat as normal")
from openfe.
I thought it'd be nice to have a way to load the legacy files that people might have had, but that won't fly. Yes we could fix upstream but at this point it's more viable/maintainable to make our new architecture mimic Lomap's functionality rather than fix Lomap's output (and this doesn't also break people's expectation of what OG Lomap creates).
from openfe.
Moving to "done" on the basis of "not going to do" -- at least, not unless/until there's major user demand that requires us to reconsider.
from openfe.
Related Issues (20)
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from openfe.