Revamp Ellipsoid Class, add method to create bond constraints in a system's snapshot. #191
+455
−371
Codecov / codecov/project
succeeded
Mar 11, 2025 in 0s
94.73% (-0.04%) compared to a600b73, passed because coverage increased by 0.05% when compared to adjusted base (94.67%)
View this Pull Request on Codecov
94.73% (-0.04%) compared to a600b73, passed because coverage increased by 0.05% when compared to adjusted base (94.67%)
Details
Codecov Report
All modified and coverable lines are covered by tests ✅
Project coverage is 94.73%. Comparing base (
a600b73) to head (164e67e).
Report is 60 commits behind head on main.
Additional details and impacted files
@@ Coverage Diff @@
## main #191 +/- ##
==========================================
- Coverage 94.77% 94.73% -0.04%
==========================================
Files 26 26
Lines 1970 2051 +81
==========================================
+ Hits 1867 1943 +76
- Misses 103 108 +5 | Files with missing lines | Coverage Δ | |
|---|---|---|
| flowermd/base/simulation.py | 91.54% <100.00%> (-0.49%) |
⬇️ |
| flowermd/library/forcefields.py | 95.56% <100.00%> (+0.03%) |
⬆️ |
| flowermd/library/polymers.py | 100.00% <100.00%> (ø) |
|
| flowermd/utils/__init__.py | 100.00% <100.00%> (ø) |
|
| flowermd/utils/constraints.py | 100.00% <100.00%> (ø) |
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