Closed nathanmlim closed 6 years ago
:exclamation: No coverage uploaded for pull request base (
master@726d017
). Click here to learn what that means. The diff coverage is62.63%
.
@@ Coverage Diff @@
## master #154 +/- ##
=========================================
Coverage ? 59.58%
=========================================
Files ? 7
Lines ? 1477
Branches ? 266
=========================================
Hits ? 880
Misses ? 497
Partials ? 100
Impacted Files | Coverage Δ | |
---|---|---|
blues/__init__.py | 100% <100%> (ø) |
|
blues/integrators.py | 91.01% <100%> (ø) |
|
blues/utils.py | 49.07% <42.3%> (ø) |
|
blues/settings.py | 56.12% <46.42%> (ø) |
|
blues/moves.py | 58.18% <58.87%> (ø) |
|
blues/reporters.py | 39.23% <62.74%> (ø) |
|
blues/simulation.py | 75.32% <68.7%> (ø) |
@sukanyasasmal @davidlmobley Need an approving review before I can merge. The edits @sukanyasasmal aren't YAPF style convention, so I'll keep it as is.
After numerous attempts of reverting/reseting the last botched PR that got merge committed without review, I just copied over the files again, which seems to now let me bring in the changes properly.
This PR does a number of things I've been working on lately, which includes:
.gitignore
file.github/
which holds template files for PRs and guidelines for contributing to the codesetup.cfg
fileblues-0.2.3-py35g{SHORTHASH}_{#UNRELEASED COMMITS}
orblues-0.2.3-py35g6aaba2d_5
engine.py
module (which housed just one single class) into themoves.py
moduleAlchemicalExternalLangevinIntegrator
for issue #115 ref