jdrusso / msm_we

History-augmented Markov analysis of weighted ensemble trajectories.
https://msm-we.readthedocs.io
MIT License
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Add function for coarsening and plotting coarse flux profile #42

Closed jdrusso closed 1 year ago

jdrusso commented 1 year ago

Sometimes it's hard to grok what the flux profiles are telling you, because there's a lot of noise from having many microstates.

This PR just adds some functionality to coarse-grain those flux profiles.

codecov[bot] commented 1 year ago

Codecov Report

Merging #42 (c65608d) into develop (2f3a314) will decrease coverage by 0.39%. The diff coverage is 6.25%.

:exclamation: Current head c65608d differs from pull request most recent head 5d39449. Consider uploading reports for the commit 5d39449 to get more accurate results

@@             Coverage Diff             @@
##           develop      #42      +/-   ##
===========================================
- Coverage    53.29%   52.91%   -0.39%     
===========================================
  Files           25       25              
  Lines         3916     3948      +32     
===========================================
+ Hits          2087     2089       +2     
- Misses        1829     1859      +30     
Impacted Files Coverage Δ
msm_we/_hamsm/_plotting.py 5.40% <6.25%> (+0.14%) :arrow_up:

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