Improve some typing #2000
Open
Improve some typing #2000
Conversation
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Codecov ReportAttention: Patch coverage is
🚀 New features to boost your workflow:
|
|
Okey - sorry to screw up your PR briefly, I think I've brought it up to date with the non-trivial changes that have been happening upstream. I have some ideas about how we can revamp typing in general, as I'm sure you do, but this is neither the time or the place for me to push that |
Yoshanuikabundi
force-pushed
the
better_typing
branch
2 times, most recently
from
7d7f1c8 to
3dc07df
Compare
Yoshanuikabundi
force-pushed
the
better_typing
branch
from
2b59dd4 to
e906ff2
Compare
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
This PR includes many changes needed for OpenFF Pablo to type check, and 1 for it to run correctly. Pablo development so far has and will continue to test and type check against this branch (or
mainonce it is merged) until it gets into a release.Molecule.to_rdkit()is run on a molecule with residue numbers that cannot be converted toint(such as hexadecimal residue numbers used by OpenMM in large PDB files)Molecule.is_isomorphic_with()so that its keyword arguments are actually keyword arguments. This is not a breaking change as the**kwargsargument is still present, it's just ignored - we should deprecate and remove this ASAPSorry for the behemoth PR!