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SimStore: Make storable function modes customizable#1004

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dwhswenson merged 2 commits into
openpathsampling:masterfrom
dwhswenson:user_def_storable_func_modes
Apr 10, 2021
Merged

SimStore: Make storable function modes customizable#1004
dwhswenson merged 2 commits into
openpathsampling:masterfrom
dwhswenson:user_def_storable_func_modes

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@dwhswenson

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The definition of modes for storable functions in SimStore (i.e., 'analysis', 'production', 'no-caching') was in a dictionary that was defined in the __call__ method. This moves that dictionary to a private instance variable. This will allow (advanced) users to update that dictionary with custom modes.

This also removes an unnecessary skip that was shadowing the fact that some tests needed to be updated for changes in #985. The previously skipped tests now run and pass.

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codecov Bot commented Apr 8, 2021

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Codecov Report

Merging #1004 (eb76477) into master (523de5f) will increase coverage by 0.53%.
The diff coverage is n/a.

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #1004      +/-   ##
==========================================
+ Coverage   80.61%   81.15%   +0.53%     
==========================================
  Files         138      138              
  Lines       14695    15118     +423     
==========================================
+ Hits        11847    12269     +422     
- Misses       2848     2849       +1     
Impacted Files Coverage Δ
openpathsampling/deprecations.py 100.00% <0.00%> (ø)
openpathsampling/analysis/tis/core.py 100.00% <0.00%> (ø)
openpathsampling/analysis/tis/flux.py 100.00% <0.00%> (ø)
openpathsampling/snapshot_modifier.py 100.00% <0.00%> (ø)
openpathsampling/analysis/channel_analysis.py 100.00% <0.00%> (ø)
openpathsampling/ensembles/visit_all_states.py 100.00% <0.00%> (ø)
openpathsampling/pathmovers/spring_shooting.py 100.00% <0.00%> (ø)
openpathsampling/pathsimulators/reactive_flux.py 100.00% <0.00%> (ø)
openpathsampling/high_level/ms_outer_interface.py 100.00% <0.00%> (ø)
openpathsampling/analysis/tis/standard_analysis.py 100.00% <0.00%> (ø)
... and 67 more

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@dwhswenson

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This is ready for review and comment. I will leave it open for at least 24 hours, merging no earlier than Fri 09 Apr 12:00 GMT (14:00 local).

@sroet sroet left a comment

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1 unnecessary line of code, LGTM otherwise

Comment thread openpathsampling/experimental/simstore/storable_functions.py Outdated
Co-authored-by: Sander Roet <sanderroet@hotmail.com>
@dwhswenson dwhswenson merged commit 3c5211d into openpathsampling:master Apr 10, 2021
@dwhswenson dwhswenson deleted the user_def_storable_func_modes branch April 10, 2021 14:50
@dwhswenson dwhswenson mentioned this pull request Jul 5, 2021
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2 participants