Closed xiki-tempula closed 1 year ago
Merging #268 (e466b34) into master (3bbbef2) will increase coverage by
0.03%
. The diff coverage is100.00%
.
@@ Coverage Diff @@
## master #268 +/- ##
==========================================
+ Coverage 98.70% 98.74% +0.03%
==========================================
Files 26 26
Lines 1777 1747 -30
Branches 382 380 -2
==========================================
- Hits 1754 1725 -29
+ Misses 3 2 -1
Partials 20 20
Impacted Files | Coverage Δ | |
---|---|---|
src/alchemlyb/convergence/convergence.py | 100.00% <100.00%> (ø) |
|
src/alchemlyb/estimators/__init__.py | 100.00% <100.00%> (ø) |
|
src/alchemlyb/estimators/bar_.py | 100.00% <100.00%> (ø) |
|
src/alchemlyb/estimators/mbar_.py | 100.00% <100.00%> (+1.63%) |
:arrow_up: |
src/alchemlyb/preprocessing/subsampling.py | 100.00% <100.00%> (ø) |
|
src/alchemlyb/workflows/abfe.py | 99.66% <100.00%> (-0.01%) |
:arrow_down: |
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My suggestion: For right now, make a parallel branch. If there are any fixes for 1.0 that we want/need to make then I'd rather keep these in the standard master branch. Once we have a 1.0.x out, we'll make a 1.x legacy branch for any potential support pymbar3-alchemlyb and switch master to pymbar4.
alchemlyb development is now officially 2.x
This PR allows the alchemlyb to use pymbar4. Fix #207 Should we make a dev branch for it or just merge to master?