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feat(fmt/mmcif): implement mmCif parser #444

Merged
merged 17 commits into from
Jan 3, 2025
Merged

feat(fmt/mmcif): implement mmCif parser #444

merged 17 commits into from
Jan 3, 2025

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@jnooree jnooree commented Jan 2, 2025

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?
  • Do 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?

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@jnooree jnooree added the feature New features or improvements label Jan 2, 2025
@jnooree jnooree marked this pull request as ready for review January 3, 2025 05:15
@jnooree jnooree enabled auto-merge January 3, 2025 05:15
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codecov bot commented Jan 3, 2025

Codecov Report

Attention: Patch coverage is 85.58952% with 66 lines in your changes missing coverage. Please review.

Project coverage is 91.15%. Comparing base (41b9985) to head (80742b0).
Report is 18 commits behind head on main.

Files with missing lines Patch % Lines
src/fmt/mmcif.cpp 81.56% 66 Missing ⚠️
Additional details and impacted files

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #444      +/-   ##
==========================================
- Coverage   91.36%   91.15%   -0.22%     
==========================================
  Files          54       56       +2     
  Lines       12943    13318     +375     
==========================================
+ Hits        11826    12140     +314     
- Misses       1117     1178      +61     
Files with missing lines Coverage Δ
include/nuri/fmt/cif.h 98.05% <100.00%> (+1.35%) ⬆️
src/fmt/fmt_internal.h 100.00% <100.00%> (ø)
src/fmt/pdb.cpp 92.32% <100.00%> (-0.44%) ⬇️
src/fmt/mmcif.cpp 81.56% <81.56%> (ø)

... and 1 file with indirect coverage changes

col_ field will be never read when tbl_ < 0.
@jnooree jnooree merged commit a577eec into main Jan 3, 2025
14 of 16 checks passed
@jnooree jnooree mentioned this pull request Jan 3, 2025
@jnooree jnooree changed the title feat(fmt/mmcif): implement MMCif parser feat(fmt/mmcif): implement mmCif parser Jan 3, 2025
@jnooree jnooree deleted the fmt/mmcif branch January 5, 2025 23:28
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