Skip to content
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(core): improve erase_hydrogens behavior #280

Merged
merged 3 commits into from
Apr 9, 2024
Merged

Conversation

jnooree
Copy link
Member

@jnooree jnooree commented Apr 9, 2024

Checklist

If the change is related to the source code, tests, or build environments, please also check the following:

  • Does ./scripts/run_clang_tools.sh pass without any warnings?
  • Have you built the project locally without any warnings and errors?
  • Does all tests (if new tests are added, including the new ones) pass?

If you added new feature(s), then also check the following:

  • Did you also add corresponding tests?

Linked Issues

Link the tracking issue(s) of this PR, with the auto-close keywords here:


@jnooree jnooree enabled auto-merge April 9, 2024 04:29
Copy link

codecov bot commented Apr 9, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 90.56%. Comparing base (9ba077a) to head (c685bc6).

Additional details and impacted files

Impacted file tree graph

@@           Coverage Diff           @@
##             main     #280   +/-   ##
=======================================
  Coverage   90.55%   90.56%           
=======================================
  Files          37       37           
  Lines        8421     8424    +3     
=======================================
+ Hits         7626     7629    +3     
  Misses        795      795           
Files Coverage Δ
include/nuri/core/molecule.h 85.62% <ø> (ø)
python/src/nuri/core/molecule.cpp 90.35% <ø> (ø)
src/core/molecule.cpp 94.63% <100.00%> (+0.02%) ⬆️

@jnooree jnooree merged commit b154d95 into main Apr 9, 2024
16 of 17 checks passed
@jnooree jnooree deleted the jnooree/issue-278 branch April 9, 2024 04:37
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

erase_hydrogens remove nontrivial hydrogens
1 participant