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(fmt/pdb): don't guess in reader #437

Merged
merged 9 commits into from
Dec 18, 2024
Merged

feat(fmt/pdb): don't guess in reader #437

merged 9 commits into from
Dec 18, 2024

Conversation

jnooree
Copy link
Member

@jnooree jnooree commented Dec 18, 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 added feature New features or improvements engineering Performance, refactoring, etc. labels Dec 18, 2024
Copy link

codecov bot commented Dec 18, 2024

Codecov Report

Attention: Patch coverage is 88.23529% with 4 lines in your changes missing coverage. Please review.

Project coverage is 91.32%. Comparing base (d1586db) to head (71c2cfc).
Report is 10 commits behind head on main.

Files with missing lines Patch % Lines
python/src/nuri/fmt/fmt_module.cpp 70.00% 3 Missing ⚠️
src/fmt/pdb.cpp 92.30% 1 Missing ⚠️
Additional details and impacted files

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #437      +/-   ##
==========================================
+ Coverage   91.17%   91.32%   +0.14%     
==========================================
  Files          52       52              
  Lines       12779    12629     -150     
==========================================
- Hits        11651    11533     -118     
+ Misses       1128     1096      -32     
Files with missing lines Coverage Δ
include/nuri/fmt/base.h 100.00% <ø> (ø)
include/nuri/fmt/mol2.h 100.00% <100.00%> (ø)
include/nuri/fmt/pdb.h 100.00% <100.00%> (ø)
include/nuri/fmt/sdf.h 100.00% <100.00%> (ø)
include/nuri/fmt/smiles.h 100.00% <100.00%> (ø)
src/algo/guess/3d.cpp 84.52% <100.00%> (+0.08%) ⬆️
src/fmt/pdb.cpp 91.89% <92.30%> (+3.38%) ⬆️
python/src/nuri/fmt/fmt_module.cpp 91.00% <70.00%> (-2.55%) ⬇️

... and 1 file with indirect coverage changes

@jnooree jnooree enabled auto-merge December 18, 2024 07:31
@jnooree jnooree merged commit 1d4ec7e into main Dec 18, 2024
15 of 16 checks passed
@jnooree jnooree deleted the fmt/pdb/no-guess branch December 18, 2024 08:56
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
engineering Performance, refactoring, etc. feature New features or improvements
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant