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Force no oechem #479

Merged
merged 3 commits into from
Jul 6, 2023

Merge branch 'main' into force_no_oechem

90787a3
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Merged

Force no oechem #479

Merge branch 'main' into force_no_oechem
90787a3
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Codecov / codecov/project failed Jul 5, 2023 in 0s

91.63% (-0.37%) compared to 9e6766e

View this Pull Request on Codecov

91.63% (-0.37%) compared to 9e6766e

Details

Codecov Report

Patch coverage: 70.66% and project coverage change: -0.37 ⚠️

Comparison is base (9e6766e) 91.99% compared to head (90787a3) 91.63%.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #479      +/-   ##
==========================================
- Coverage   91.99%   91.63%   -0.37%     
==========================================
  Files         106      110       +4     
  Lines        6324     6537     +213     
==========================================
+ Hits         5818     5990     +172     
- Misses        506      547      +41     
Impacted Files Coverage Δ
openfe/utils/handle_trajectories.py 0.00% <0.00%> (ø)
openfecli/tests/commands/test_gather.py 100.00% <ø> (ø)
openfe/tests/protocols/test_openmmutils.py 96.72% <78.57%> (-3.28%) ⬇️
openfecli/commands/gather.py 92.04% <88.46%> (+6.12%) ⬆️
openfe/protocols/openmm_rfe/_rfe_utils/relative.py 83.06% <95.00%> (+1.00%) ⬆️
openfe/protocols/openmm_rfe/equil_rfe_methods.py 93.87% <100.00%> (+4.34%) ⬆️
openfe/protocols/openmm_rfe/equil_rfe_settings.py 86.82% <100.00%> (+5.54%) ⬆️
...tests/protocols/test_openmm_equil_rfe_protocols.py 89.79% <100.00%> (+0.21%) ⬆️
openfe/tests/protocols/test_rfe_tokenization.py 97.14% <100.00%> (ø)
openfe/tests/utils/test_remove_oechem.py 100.00% <100.00%> (ø)
... and 4 more

... and 1 file with indirect coverage changes

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