Skip to content

Implementing gemmi-based mmcif reader (with easy extension to PDB/PDBx and mmJSON) - #4712

Open
marinegor wants to merge 154 commits into
MDAnalysis:developfrom
marinegor:feature/mmcif
Open

Implementing gemmi-based mmcif reader (with easy extension to PDB/PDBx and mmJSON)#4712
marinegor wants to merge 154 commits into
MDAnalysis:developfrom
marinegor:feature/mmcif

undo multi-line single string

28cecf4
Select commit
Loading
Failed to load commit list.
Codecov / codecov/project succeeded Sep 4, 2026 in 1s

93.88% (+0.01%) compared to 8b8875c

View this Pull Request on Codecov

93.88% (+0.01%) compared to 8b8875c

Details

Codecov Report

❌ Patch coverage is 97.02381% with 5 lines in your changes missing coverage. Please review.
✅ Project coverage is 93.88%. Comparing base (8b8875c) to head (28cecf4).

Files with missing lines Patch % Lines
package/MDAnalysis/coordinates/MMCIF.py 96.36% 1 Missing and 1 partial ⚠️
package/MDAnalysis/topology/MMCIFParser.py 97.46% 1 Missing and 1 partial ⚠️
package/MDAnalysis/topology/PDBParser.py 96.77% 0 Missing and 1 partial ⚠️
Additional details and impacted files
@@             Coverage Diff             @@
##           develop    #4712      +/-   ##
===========================================
+ Coverage    93.87%   93.88%   +0.01%     
===========================================
  Files          182      184       +2     
  Lines        22522    22635     +113     
  Branches      3206     3218      +12     
===========================================
+ Hits         21143    21252     +109     
- Misses         917      919       +2     
- Partials       462      464       +2     

☔ View full report in Codecov by Harness.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.