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Fix parameter set logic and allow FittingProblem to take init_ocv rather than init_soc #425

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merged 105 commits into from
Aug 7, 2024

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NicolaCourtier
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Description

Remove the init_soc option from BaseProblem, keep the init_soc option for DesignProblem and replace it with an init_ocv option for FittingProblem and Observers. This change is to ensure consistency in problems with parameters that affect the calculation of the initial concentrations from SOC.

Issue reference

Fixes #424

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codecov bot commented Jul 25, 2024

Codecov Report

Attention: Patch coverage is 99.45355% with 1 line in your changes missing coverage. Please review.

Project coverage is 98.68%. Comparing base (d68a70d) to head (db09455).
Report is 2 commits behind head on develop.

Files Patch % Lines
pybop/problems/fitting_problem.py 96.00% 1 Missing ⚠️
Additional details and impacted files
@@             Coverage Diff             @@
##           develop     #425      +/-   ##
===========================================
+ Coverage    98.51%   98.68%   +0.16%     
===========================================
  Files           46       46              
  Lines         2960     2961       +1     
===========================================
+ Hits          2916     2922       +6     
+ Misses          44       39       -5     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

@NicolaCourtier
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TODO: Re-run all notebooks after #428 and check output.

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@MarkBlyth MarkBlyth left a comment

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I'm happy with all this. Since initial_state can be an OCV or SOC, it won't break any of the functionality needed for typical cell-cycling tests.

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@BradyPlanden BradyPlanden left a comment

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Looks good, thanks for the additions @NicolaCourtier!

tests/unit/test_models.py Show resolved Hide resolved
pybop/problems/fitting_problem.py Show resolved Hide resolved
@NicolaCourtier NicolaCourtier merged commit 15d21b1 into develop Aug 7, 2024
30 checks passed
@NicolaCourtier NicolaCourtier deleted the 424-fitting-ocv branch August 7, 2024 16:23
BradyPlanden added a commit that referenced this pull request Aug 8, 2024
…her than init_soc (#425)

* Update default init_soc

* Update CHANGELOG.md

* Update check_params

* Add pybamm_model as default attribute

* Ensure predict uses unprocessed_model

* Move rebuild check to model.simulate

* Align simulate output with predict

* Replace init_soc with init_ocv for FittingProblem

* Update notebooks

* Update test_observers.py

* Update descriptions and simplify

* Add test_set_initial_state

* Update test_problem.py

* Break connection between parameter_sets

* Allow predict to update initial state

* Add nbstripout pre-commit hook

* Add -q and re-run all notebooks

* Copy parameter sets and remove model.initial_state

* Reset spm_NelderMead.py

* Update CHANGELOG.md

* Allow parameter_set is None

* Re-run notebooks

* Update bounds

* Update notebooks

* Set numpy random seed in notebooks

* Re-run with fixed seed

* Update bounds

* Update notebooks to initial_state

* Add set_initial_state for ECMs

* Add init_ocv setter

* Add init_ocv values

* Re-run notebooks

* Add tests for ECM get_initial_state

* Add ECM initial state error tests

* Remove unused store_optimised_parameters

* Update parameters.initial_value

* Use any Initial SoC from parameter_set

* Update bounds again

* Update init_soc in notebooks

* Move dataset check within unscented_kalman

* Remove unnecessary lines from spm_UKF

* Update all parameters for rebuild

* Ensure value updates alongside initial_value

* Update multi_model_identification

* Update spm_electrode_design.ipynb

* Fix test_plots design problem

* Move Changelog entry to breaking changes

* Add tests

* Update integration tests

* Update spm_weighted_cost.py

* Fix tests

* Fix model type check

* Update _parameter_set to parameter_set

* Update tests with parameter set

* Add model build description

* Revert to _parameter_set

* Apply suggestions from code review

Co-authored-by: Brady Planden <[email protected]>

* Apply suggestions from code review

Co-authored-by: Brady Planden <[email protected]>

* Fix syntax

* Fix variable name

* Update model type check

* Update parameter_set setter

* Add parameters.reset_initial_value

* Add n_outputs property

* Remove public parameter_set setter

* Correct integer to float

* Convert initial_state to dict

* Add guidance

* Remove empty dictionary defaults

* Add warning stacklevels

* Catch simulation errors in problem evaluation

* Add pybamm version comment

* Add set initial ocv check

* Add model.clear and remove setters

* Update unscented_kalman.py

* Update test_models.py

* Update test_set_initial_state

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Brady Planden <[email protected]>
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Compute initial concentrations from initial OCV
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