Use 1.0 for good AtomMapping scores, 0.0 for bad AtomMapping scores #529
Codecov / codecov/project
failed
Aug 28, 2023 in 0s
91.97% (-0.10%) compared to e797d52
View this Pull Request on Codecov
91.97% (-0.10%) compared to e797d52
Details
Codecov Report
Patch coverage: 95.78% and project coverage change: -0.10%
Comparison is base (
e797d52) 92.07% compared to head (0fbf018) 91.97%.
Report is 23 commits behind head on main.
Additional details and impacted files
@@ Coverage Diff @@
## main #529 +/- ##
==========================================
- Coverage 92.07% 91.97% -0.10%
==========================================
Files 113 116 +3
Lines 6938 7054 +116
==========================================
+ Hits 6388 6488 +100
- Misses 550 566 +16 | Files Changed | Coverage Δ | |
|---|---|---|
| openfe/protocols/openmm_rfe/_rfe_utils/relative.py | 82.84% <ø> (-0.12%) |
⬇️ |
| openfe/protocols/openmm_rfe/equil_rfe_methods.py | 94.02% <ø> (ø) |
|
| openfecli/commands/gather.py | 85.25% <90.19%> (-6.79%) |
⬇️ |
| openfe/protocols/openmm_rfe/equil_rfe_settings.py | 100.00% <100.00%> (ø) |
|
| openfe/setup/atom_mapping/lomap_scorers.py | 100.00% <100.00%> (ø) |
|
| openfe/setup/ligand_network_planning.py | 100.00% <100.00%> (ø) |
|
| openfe/tests/protocols/test_rfe_tokenization.py | 97.14% <100.00%> (ø) |
|
| ...nfe/tests/setup/atom_mapping/test_lomap_scorers.py | 100.00% <100.00%> (ø) |
|
| openfe/tests/setup/test_network_planning.py | 100.00% <100.00%> (ø) |
|
| openfe/tests/utils/test_system_probe.py | 100.00% <100.00%> (ø) |
|
| ... and 6 more |
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