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w_multi_west ibstates fix #387

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merged 1 commit into from
Mar 27, 2024

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jeremyleung521
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Issue Number. Is this pull request related to any outstanding issues? If so, list the issue number.

Describe the changes made. A clear and concise description of what the problem is and what you did to fix it. E.g. [...] was happening and I've changed [...] to fix it.
There were two issues with w_multi_west's --ibstates option which
a) prevented w_trace from working properly and
b) combined the istate_pcoord incorrectly.

a) is due to a broken link/object reference in the ibstates/index dataset, which lead to a failure when attempting to retrieve the ibstates dataset using that link.
b) is due to the fact that I forgot to specify axis=0 when appending the pcoord arrays.

Goals and Outstanding Issues. A clear and concise list of goals (to be) accomplished.

  • Allow w_trace to run on files combined with w_multi_west
  • Combine istates_pcoord dataset correctly

Major files changed.

  • src/westpa/cli/tools/w_multi_west.py

Status.

  • Bug fix (non-breaking change which fixes an issue)
  • I have read the CONTRIBUTING document.
  • My code follows the code style of this project.
  • My change requires a change to the documentation.
  • I have updated the documentation accordingly.
  • All new and existing tests passed.

Additional context. Add any other context or screenshots about the pull request here.

@jeremyleung521 jeremyleung521 added the bug For PRs and issues that address unintended WESTPA behaviors label Mar 26, 2024
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codecov bot commented Mar 26, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 42.11%. Comparing base (6013164) to head (51554c3).

Additional details and impacted files
@@             Coverage Diff             @@
##           develop     #387      +/-   ##
===========================================
- Coverage    42.18%   42.11%   -0.07%     
===========================================
  Files          131      131              
  Lines        17022    17005      -17     
===========================================
- Hits          7180     7161      -19     
- Misses        9842     9844       +2     
Flag Coverage Δ
unittests 42.11% <100.00%> (-0.07%) ⬇️

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👍

@jeremyleung521 jeremyleung521 merged commit 562e17f into westpa:develop Mar 27, 2024
17 of 18 checks passed
@jeremyleung521 jeremyleung521 added this to the 2022.07 milestone Apr 1, 2024
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2 participants