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SimStore: Fix storable function serialization - #1088

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dwhswenson merged 2 commits into
openpathsampling:masterfrom
dwhswenson:fix-storable-func-serialization
Nov 8, 2021
Merged

dwhswenson merged 2 commits into
openpathsampling:masterfrom
dwhswenson:fix-storable-func-serialization

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@dwhswenson

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This fixes a bug in SimStore storable functions serialization. When support for function periodicity was added in #990, it looks like I failed to add the periodicity information to the StorableFunction.to_dict. This fixes that, and includes a test to prevent regression.

Currently, function periodicity is only used by the (as yet unreleased) command line tools for setting up a simulation, where it is only used at object creation time to determine whether a volume should be periodic or not. This means that the only use case where this bug could be a problem would be if the user is using the unreleased CLI wizard to create new volumes for periodic CVs after loading that CV from a file. This is an unlikely use case, so I don't think this is a critical concern, but it does push for an OPS release before the CLI wizard is released.

@dwhswenson dwhswenson added bugfix PRs fixing bugs experimental labels Nov 7, 2021
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Codecov Report

Merging #1088 (5acb2ad) into master (ddfe508) will not change coverage.
The diff coverage is n/a.

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@@           Coverage Diff           @@
##           master    #1088   +/-   ##
=======================================
  Coverage   81.56%   81.56%           
=======================================
  Files         140      140           
  Lines       15452    15452           
=======================================
  Hits        12604    12604           
  Misses       2848     2848           

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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 Mon 08 Nov 14:00 GMT (09:00 my local).

@sroet sroet left a comment

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1 indentation suggestion, feel free to ignore. LGTM otherwise

Comment thread openpathsampling/experimental/simstore/test_storable_function.py Outdated
Co-authored-by: Sander Roet <sanderroet@hotmail.com>
@dwhswenson
dwhswenson merged commit 2c6fc5b into openpathsampling:master Nov 8, 2021
@dwhswenson
dwhswenson deleted the fix-storable-func-serialization branch November 8, 2021 14:41
@dwhswenson dwhswenson mentioned this pull request Jan 4, 2024
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2 participants