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allow tol in initial voltage for setting stoichiometries #4586

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merged 1 commit into from
Nov 14, 2024

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@rtimms rtimms commented Nov 14, 2024

Description

When setting initial stoichiometries using a voltage, allow the initial voltage to be outside the voltage limits by tol. This is useful for example when setting the initial voltage to match some data where, say, the voltage is 4.2000001V and the upper voltage limit is 4.2V. Right now, this throws an error but clearly, that is an acceptable initial voltage to within a sensible user-specified tolerance.

Fixes # (issue)

Type of change

Please add a line in the relevant section of CHANGELOG.md to document the change (include PR #) - note reverse order of PR #s. If necessary, also add to the list of breaking changes.

  • New feature (non-breaking change which adds functionality)
  • Optimization (back-end change that speeds up the code)
  • Bug fix (non-breaking change which fixes an issue)

Key checklist:

  • No style issues: $ pre-commit run (or $ nox -s pre-commit) (see CONTRIBUTING.md for how to set this up to run automatically when committing locally, in just two lines of code)
  • All tests pass: $ python run-tests.py --all (or $ nox -s tests)
  • The documentation builds: $ python run-tests.py --doctest (or $ nox -s doctests)

You can run integration tests, unit tests, and doctests together at once, using $ python run-tests.py --quick (or $ nox -s quick).

Further checks:

  • Code is commented, particularly in hard-to-understand areas
  • Tests added that prove fix is effective or that feature works

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codecov bot commented Nov 14, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 99.26%. Comparing base (4223be8) to head (da49171).
Report is 1 commits behind head on develop.

Additional details and impacted files
@@           Coverage Diff            @@
##           develop    #4586   +/-   ##
========================================
  Coverage    99.26%   99.26%           
========================================
  Files          302      302           
  Lines        22889    22889           
========================================
  Hits         22721    22721           
  Misses         168      168           

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@rtimms rtimms merged commit bcdd0b5 into develop Nov 14, 2024
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@rtimms rtimms deleted the init-sto-tol branch November 14, 2024 15:08
pkalbhor pushed a commit to pkalbhor/PyBaMM that referenced this pull request Nov 15, 2024
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2 participants