jdrusso / msm_we

History-augmented Markov analysis of weighted ensemble trajectories.
https://msm-we.readthedocs.io
MIT License
7 stars 7 forks source link

Rich-style progress bars, some improvements to dimensionality reduction and plugin config #34

Closed jdrusso closed 1 year ago

jdrusso commented 1 year ago

New features

haMSM building

Plugins

The haMSM plugin now exposes:

Other

Bugfixes

codecov[bot] commented 1 year ago

Codecov Report

Merging #34 (24c3adc) into main (01855ca) will increase coverage by 2.37%. The diff coverage is 54.12%.

@@            Coverage Diff             @@
##             main      #34      +/-   ##
==========================================
+ Coverage   51.22%   53.60%   +2.37%     
==========================================
  Files          23       25       +2     
  Lines        3715     3871     +156     
==========================================
+ Hits         1903     2075     +172     
+ Misses       1812     1796      -16     
Impacted Files Coverage Δ
msm_we/msm_we.py 42.26% <3.84%> (+2.43%) :arrow_up:
msm_we/_hamsm/_dimensionality.py 41.86% <21.05%> (-2.21%) :arrow_down:
msm_we/_hamsm/_fluxmatrix.py 18.21% <33.33%> (+0.23%) :arrow_up:
msm_we/optimization.py 36.84% <75.00%> (ø)
msm_we/_hamsm/_clustering.py 53.37% <76.19%> (+5.40%) :arrow_up:
msm_we/_hamsm/_data.py 44.57% <100.00%> (+5.08%) :arrow_up:
tests/conftest.py 100.00% <100.00%> (ø)
tests/fixtures/hamsms.py 96.36% <100.00%> (+1.46%) :arrow_up:
tests/test_optimization.py 100.00% <100.00%> (ø)
... and 6 more

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jdrusso commented 1 year ago

Yuck, I messed up history a little somewhere... I wanted to rebase this, but I'm just going to squash it.