Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

add plots for exchange frequencies per state #97

Merged
merged 2 commits into from
Oct 3, 2023

Conversation

eruijsena
Copy link
Collaborator

Do basically the same plot as plot_exchange_freq, but once per endstate in the simulation. This helps to identify the dependence of the bottleneck on the current maximally contributing state. The input for this analysis is again an ExpandedRepdat (see rinikerlab/PyGromosTools#311).

These analysis functions are not added anywhere in the pipeline.

@codecov-commenter
Copy link

Codecov Report

Merging #97 (44f334e) into main (5e79089) will decrease coverage by 0.17%.
Report is 2 commits behind head on main.
The diff coverage is 0.00%.

@@            Coverage Diff             @@
##             main      #97      +/-   ##
==========================================
- Coverage   15.71%   15.55%   -0.17%     
==========================================
  Files          51       51              
  Lines        5541     5600      +59     
==========================================
  Hits          871      871              
- Misses       4670     4729      +59     
Flag Coverage Δ
unittests 15.55% <0.00%> (-0.17%) ⬇️

Flags with carried forward coverage won't be shown. Click here to find out more.

Files Coverage Δ
reeds/function_libs/analysis/replica_exchanges.py 0.00% <0.00%> (ø)
reeds/function_libs/visualization/re_plots.py 0.00% <0.00%> (ø)

@candidechamp candidechamp merged commit fe4d589 into main Oct 3, 2023
5 checks passed
@eruijsena eruijsena deleted the state_exchange_frequency branch October 4, 2023 12:09
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

None yet

3 participants