blues
blues copied to clipboard
Torsional move new
Description
Have rotatable bond moves available in the latest BLUES code
Todos
Notable points that this PR has either accomplished or will accomplish.
- Test on reference system
- Add tests
Status
- Currently in Draft form
Codecov Report
Merging #164 into master will decrease coverage by
1.7%
. The diff coverage is12.3%
.
@@ Coverage Diff @@
## master #164 +/- ##
==========================================
- Coverage 53.51% 51.81% -1.71%
==========================================
Files 7 7
Lines 1478 1540 +62
Branches 266 273 +7
==========================================
+ Hits 791 798 +7
- Misses 587 642 +55
Partials 100 100
Impacted Files | Coverage Δ | |
---|---|---|
blues/moves.py | 26.14% <12.3%> (-2.32%) |
:arrow_down: |