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Add fit flag to Parameter - #5

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JR-1991 merged 3 commits into
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add-fit-flag
Sep 22, 2025
Merged

JR-1991 merged 3 commits into
masterfrom
add-fit-flag

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@JR-1991 JR-1991 commented Sep 22, 2025

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This pull request introduces a new field to the parameter schema, updates an integration test expectation, and updates a submodule reference. The most significant change is the addition of the fit field to the parameter schema, which enhances the model's ability to specify optimization behavior.

Schema Enhancement:

  • Added a nullable boolean field fit to the ParameterSchema in src/v2.ts, allowing parameters to indicate whether they should be varied during optimization.

Testing Adjustment:

  • Lowered the minimum expected duration in the fromName Integration Tests from 100ms to 80ms to better reflect actual performance. (__tests__/pubchem.integration.test.ts)

Submodule Update:

  • Updated the submodule commit reference in specs to point to a newer commit, ensuring dependencies are up-to-date.

Advanced the specs submodule pointer to commit bf9321f720eaff48d315bad52aebc1765cf42188 to incorporate recent changes from the submodule.
Adjusted the expected minimum duration from 100ms to 80ms in the fromName integration test to better reflect current performance.
Introduces a nullable boolean 'fit' property to ParameterSchema to indicate if a parameter should be varied during optimization.
@JR-1991 JR-1991 self-assigned this Sep 22, 2025
@JR-1991 JR-1991 added the enhancement New feature or request label Sep 22, 2025
@JR-1991 JR-1991 added this to EnzymeML Sep 22, 2025
@JR-1991
JR-1991 merged commit 211be33 into master Sep 22, 2025
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@github-project-automation github-project-automation Bot moved this to Done in EnzymeML Sep 22, 2025
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