generated from jnooree/c-like-templ
-
Notifications
You must be signed in to change notification settings - Fork 0
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
feat(algo): support guessing atom/bond properties from geometry #189
Merged
Conversation
This file contains 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
jnooree
force-pushed
the
jnooree/issue-180
branch
3 times, most recently
from
December 18, 2023 06:12
a31a046
to
8ab7881
Compare
Also: - promote {Atom,Bond}Flags enum to public API. - add {add,del}_flags() methods as a shortcut to update atom/bond flags.
jnooree
force-pushed
the
jnooree/issue-180
branch
from
February 6, 2024 07:57
d78aa29
to
f34a9a2
Compare
Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## main #189 +/- ##
==========================================
- Coverage 95.67% 90.85% -4.82%
==========================================
Files 13 17 +4
Lines 2889 4188 +1299
==========================================
+ Hits 2764 3805 +1041
- Misses 125 383 +258
|
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Outdated suggestions cannot be applied.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.
Checklist
If the change is related to the source code, tests, or build environments, please also check the following:
./scripts/run_clang_tools.sh
pass without any warnings?If you added new feature(s), then also check the following:
Linked Issues
Link the tracking issue(s) of this PR, with the auto-close keywords here: