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Refactor analysis module functions #161

Merged
merged 62 commits into from
Nov 18, 2024
Merged

Refactor analysis module functions #161

merged 62 commits into from
Nov 18, 2024

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tomjholland
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@tomjholland tomjholland commented Nov 18, 2024 •
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This PR includes a refactoring of analysis module functions, deprecating the class-based structure and making functions stand-alone with pydantic validate_call input validation. This is alongside significant refactoring of the degradation_mode_analysis module to prepare it for composite electrode DMA, which is currently a work-in-progress. New features include functions for performing degradation mode analysis in batch, sequentially and in parallel.

Closes #155, #98

tomjholland and others added 30 commits November 1, 2024 12:12
@tomjholland
Add generic interpolator classes to analysis utils
c281ab1
@tomjholland
Add method to provide OCP data to DMA class
20c56df
@mohammedasher
Full cell OCV estimation w composite electrode
c8fa9ba
@tomjholland
Replace pydantic validation for interpolator with utility func, adapt…
b4c8e44 
… linear interpolator as PPoly
@tomjholland
Add interpolation-free methods for calculating OCV and its gradient
419d9cd
@tomjholland
Add support for sympy OCP expressions and add methods for differentia…
3b33624 
…tion
@tomjholland
Rearrange order in DMA class
405185e
@tomjholland
Add method for running ocv fitting with new refactored methods
0dae32d
@tomjholland
Replace interpolators dict with separately defined functions
2d9a020
@tomjholland
Move interpolation functions into smoothing module
0d37c10
@tomjholland
Add new logic for downsampling data
3121e06
@tomjholland
Add downsampling tests for non-monotonic data
52e2bad
@tomjholland
Add downsampling utility function to DMA class
cab0222
@tomjholland
Add benchmarks to downsampling test
4155b8d
@tomjholland
Add methods for extending the data stored in result objects and joini…
5baf077 
…ng new columns
@tomjholland
Add class and methods for batch dma fitting
326169e
@tomjholland
Merge branch 'refactor-dma-analysis-code' into main
ab8af8d
@github-actions
docs(contributor): contrib-readme-action has updated readme
70da06d
@tomjholland
Merge pull request #160 from mohammedasher/main
2c95b41 
Calculation of Full Cell Open Circuit Voltage (OCV) for cells with Composite Negative Electrode
@tomjholland
provide ocp functions to method for calculating full cell OCV
d6eb7a8
@tomjholland
Switch setting ocp data into adding ocp data to list
2cba16f
@tomjholland
Add numerical calculation of derivative on pure python functions
89b4dcf
@tomjholland
Create factory method for objective function to allow for flexibility…
0cec7c1 
… to composite electrode
@tomjholland
Add an OCP class for dealing with half cell data
a33a3ba
@tomjholland
Integrate new OCP classes into DMA methods
23a9942
@tomjholland
Add a CompositeOCP class
ed8dd47
@tomjholland
Reinstate logic for composite ocp fitting
f7225b7
@tomjholland
Fix tests for calculate_dma_parameters and downsample_ocv methods
68ecc9e
@tomjholland
BREAKING: remove fit_ocv method
f94d79c
@tomjholland
Fix tests for batch DMA
d11b7e6
@tomjholland
Add method for extracting only ocv points from pulsing
e1619ed
@tomjholland
Switch to ray for parallel processing
04063e5
@tomjholland
Update ocv-fitting example notebook for refactored dma module
b015f83
@tomjholland
Report ray parallel performance and ensure shutdown
36e7a24
@tomjholland
Include stoichiometry limits in result of quantify degradation modes
f76e6af
@tomjholland
Allow kwargs to pass to interpolators
9a2ab5c
@tomjholland
Add tests for clean copy
bee0f9e
@tomjholland
Add kwargs to linear interpolator
d0179c7
@tomjholland
Rename test_dma to test_degradation_mode_analysis
8871b96
@tomjholland
Add dma method for sequentially performing the ocv fitting
4e71545
@tomjholland
Add deprecated type stubs
e280234
@tomjholland
Add standalone method for getting resistances from each pulse
89b06ae
@tomjholland
Move smoothing methods into separate functions and fix downsample logic
7c8a646
@tomjholland
Remove time column argument from downsampling
cc76d69
@tomjholland
Move cycling methods out of class
9471496
@tomjholland
Move differentiation methods out of class
db76030
@tomjholland
Update example notebooks for changes to analysis module
25c66a1
@tomjholland
Add method for non-monotonic smoothing to downsample
1287c50
@tomjholland
Add method validation to smoothing module and deprecate old methods
b4453d1
@tomjholland tomjholland added refactor Refactoring existing code without significantly changing functionality breaking A breaking change feature Adding a new functionality, small or large labels Nov 18, 2024
@tomjholland tomjholland linked an issue Nov 18, 2024 that may be closed by this pull request
Review interpolation methods in DMA #98
Closed
@tomjholland tomjholland merged commit 82da37c into main Nov 18, 2024
2 checks passed
@tomjholland tomjholland deleted the refactor-dma-analysis-code branch November 18, 2024 11:49
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Successfully merging this pull request may close these issues.

Check validation of arguments provided to analysis methods Review interpolation methods in DMA
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@tomjholland @mohammedasher