blues
blues copied to clipboard
Internal coordinate darting
This PR aims to incorporate internal coordinate darting moves with the existing set of moves in BLUES
.
Things that still need to be done:
- [x] Improve docstrings
- [x] Clean up code
- [x] Add tests
@nathanmlim This should be ready for review.
Codecov Report
Merging #92 into master will decrease coverage by
1.36%
. The diff coverage is55.15%
.
@@ Coverage Diff @@
## master #92 +/- ##
==========================================
- Coverage 59.53% 58.17% -1.37%
==========================================
Files 7 15 +8
Lines 1478 3008 +1530
Branches 266 611 +345
==========================================
+ Hits 880 1750 +870
- Misses 498 1070 +572
- Partials 100 188 +88
Impacted Files | Coverage Δ | |
---|---|---|
blues/__init__.py | 100% <ø> (ø) |
:arrow_up: |
blues/version.py | 0% <0%> (ø) |
|
blues/moves.py | 58.7% <100%> (+0.52%) |
:arrow_up: |
blues/moldart/__init__.py | 100% <100%> (ø) |
|
blues/integrators.py | 91.48% <100%> (+0.47%) |
:arrow_up: |
blues/simulation.py | 72.52% <32.35%> (-2.81%) |
:arrow_down: |
blues/reporters.py | 46.37% <37.5%> (+7.14%) |
:arrow_up: |
blues/settings.py | 55.76% <40%> (ø) |
:arrow_up: |
blues/moldart/darts.py | 53.89% <53.89%> (ø) |
|
blues/moldart/move.py | 58.81% <58.81%> (ø) |
|
... and 15 more |