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WIP: Specification of Timecourses #581

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WIP: Specification of Timecourses #581

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fbergmann
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@fbergmann fbergmann commented May 22, 2024

This draft PR adds the descriptions from the Time course specification to the release/2.0.0 branch.

preview site is: https://petab--581.org.readthedocs.build/en/581/documentation_data_format.html#timecourses-table

FFroehlich and others added 17 commits March 10, 2023 07:32
* extract all changes from previous

* fixup

* allow hyphens in extension names

* fixup hyphens

* only require one toolbox that implements extension

* specify how to work with multiple PEtab problems

* specify we do not require a quorum number of votes

* allow test cases to be provided by the extension library

* Apply suggestions from code review

Co-authored-by: Daniel Weindl <[email protected]>

Co-authored-by: Daniel Weindl <[email protected]>
PEtab extensions were introduced in #537. We should be able to distinguish there between optional extensions and required extensions, i.e. those that modify the parameter estimation problem as such, and those that just add additional/optional information (e.g. annotations, info for visualization, ...). If some tool does not know about a certain optional extension, it can safely be ignored during import, if it does not know about a required extension, it should fail.

This PR adds a `required` attribute to extensions in the yaml file to indicate whether they are required for the mathematical interpretation of the PEtab problem.

Resolves #544
- remove preequilibrationConditionId
- remove simulationConditionId
- add timecourseID
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dweindl commented May 23, 2024

Thx Frank.

Maybe #541 and #542 can also be addressed here.

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@dweindl dweindl linked an issue May 30, 2024 that may be closed by this pull request
dweindl and others added 2 commits June 26, 2024 16:00
Previously, the math expression syntax wasn't specified. This was very problematic, because different libraries and programming languages have different names for the same functions, and more importantly, differ in operator precedence.


Co-authored-by: Dilan Pathirana <[email protected]>
Co-authored-by: dilpath <[email protected]>
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dweindl commented Dec 5, 2024

Resolved merge conflicts.

This needs to be updated to match the new mostly-agreed-upon format in #586

  • changed conditions table
  • changed experiments table
  • add examples from google doc - to be updated to the new format
  • update v2/gfx/petab_scope_and_files.svg: changed names, changed columns, match color of conditions+experiments table
  • v2/gfx/petab_scope_and_files.svg / v2/gfx/petab_files.svg : smaller SBML logo / indicate alternatives

@dweindl dweindl force-pushed the v2_timecourses branch 2 times, most recently from b79293f to 56be96d Compare December 10, 2024 20:14
dweindl added a commit to PEtab-dev/libpetab-python that referenced this pull request Dec 18, 2024
Add basic support for PEtab version 2 experiments (see also PEtab-dev/PEtab#586, and  PEtab-dev/PEtab#581). Follow-up to #334.

Partially supersedes #263, which was started before petab.v1/petab.v2 were introduced and before PEtab-dev/PEtab#586.

* updates the required fields in the measurement table
* updates some validation functions to not expect the old `simulationConditionId`s (but does not do full validation yet)
* extends PEtab v1 up-conversion to create a new experiment table.

---------

Co-authored-by: Dilan Pathirana <[email protected]>
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