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Wizard improvements: more help; improvements loading from OPS files#58

Merged
dwhswenson merged 4 commits into
openpathsampling:mainopenpathsampling/openpathsampling-cli:mainfrom
dwhswenson:wizard-extra-helpdwhswenson/openpathsampling-cli:wizard-extra-helpCopy head branch name to clipboard
Nov 1, 2021
Merged

Wizard improvements: more help; improvements loading from OPS files#58
dwhswenson merged 4 commits into
openpathsampling:mainopenpathsampling/openpathsampling-cli:mainfrom
dwhswenson:wizard-extra-helpdwhswenson/openpathsampling-cli:wizard-extra-helpCopy head branch name to clipboard

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@dwhswenson

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This addresses several of the issues listed in #57 that are targeted for the v0.3 release:

  • Add help for n_frames_max
  • Add help for volume category
  • Add help for Union, Intersection, and Complement volumes
  • Add LoadFromOPSFile to volumes
  • Use Helper to parse input when selecting objects from OPS file (allow commands)

This includes #54, so it will be easier to review after that has been merged.

- Add help for `n_frames_max`
- Add help for volume category
- Add help for Union, Intersection, and Complement volumes
- Add LoadFromOPSFile to volumes
@dwhswenson dwhswenson added the enhancement New feature or request label Oct 26, 2021
@codecov

codecov Bot commented Oct 26, 2021

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Codecov Report

Merging #58 (2f2b37c) into main (2b6714b) will not change coverage.
The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff            @@
##              main       #58   +/-   ##
=========================================
  Coverage   100.00%   100.00%           
=========================================
  Files           51        51           
  Lines         2113      2107    -6     
=========================================
- Hits          2113      2107    -6     
Impacted Files Coverage Δ
paths_cli/wizard/openmm.py 100.00% <ø> (ø)
paths_cli/wizard/load_from_ops.py 100.00% <100.00%> (ø)
paths_cli/wizard/volumes.py 100.00% <100.00%> (ø)

Continue to review full report at Codecov.

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This was referenced Oct 27, 2021

@sroet sroet left a comment

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1 possible uncaught error and a documentation suggestion

Comment thread paths_cli/wizard/load_from_ops.py
Comment thread paths_cli/wizard/openmm.py

@sroet sroet left a comment

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All my comments have been resolved, LGTM

@dwhswenson dwhswenson merged commit 34cf3a0 into openpathsampling:main Nov 1, 2021
@dwhswenson dwhswenson deleted the wizard-extra-help branch November 1, 2021 10:27
@dwhswenson dwhswenson mentioned this pull request Jun 11, 2024
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