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AmiciObjective/PEtab import: Fix plist #1493

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merged 1 commit into from
Nov 8, 2024

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@dweindl dweindl commented Oct 18, 2024

For further background, see #1448.

We don't have to compute the full gradient in every model simulation. Some entries might not be required because of fixed parameter or some condition-specific objective parameter mapping. The former was supported (however, not tested), the latter was not supported. Now both are tested an supported.

There was no good way to communicate the fixed parameters to AmiciCalculator where ExpData.plist gets set. Passing this information is currently only possible through the parameter mapping, based on which the required sensitivities are determined. Therefore, in addition to the general parameter mapping, there is now a parameter mapping that accounts for the fixed parameters. Not sure what could be a more elegant way to handle that.

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All modified and coverable lines are covered by tests ✅

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@@             Coverage Diff             @@
##           develop    #1493      +/-   ##
===========================================
+ Coverage    82.69%   82.70%   +0.01%     
===========================================
  Files          163      163              
  Lines        13896    13907      +11     
===========================================
+ Hits         11491    11502      +11     
  Misses        2405     2405              

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@dweindl dweindl marked this pull request as ready for review October 19, 2024 08:26
@dweindl dweindl requested a review from FFroehlich as a code owner October 19, 2024 08:26
@dweindl dweindl self-assigned this Oct 19, 2024
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@PaulJonasJost PaulJonasJost left a comment

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Looks good to me. Also would not be aware of a better suitable/more elegant approach

test/petab/test_petab_import.py Show resolved Hide resolved
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dweindl commented Nov 4, 2024

ping @FFroehlich

For further background, see ICB-DCM#1448.

We don't have to compute the full gradient in every model simulation. Some entries might not be required because of fixed parameter or some condition-specific objective parameter mapping. The former was supported (however, not tested), the latter was not supported. Now both are tested an supported.

There was no good way to communicate the fixed parameters to AmiciCalculator where ExpData.plist gets set. Passing this information is currently only possible through the parameter mapping, based on which the required sensitivities are determined. Therefore, in addition to the general parameter mapping, there is now a parameter mapping that accounts for the fixed parameters. Not sure what could be a more elegant way to handle that.
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thanks 🙏

@dweindl dweindl added this pull request to the merge queue Nov 8, 2024
Merged via the queue into ICB-DCM:develop with commit d5eedc2 Nov 8, 2024
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@dweindl dweindl deleted the fix_1448_plist branch November 8, 2024 17:09
dweindl added a commit that referenced this pull request Nov 19, 2024
…1509)

Fixes a warning `RuntimeWarning: The following problem parameters were not used: {[...]}
  amici.petab.conditions.fill_in_parameters(` in case of fixed parameters.
The warning was issued since #1493. 

This also fills in the fixed parameter values in the parameter mapping for the fixed parameters that was missing in #1493.
dweindl added a commit to dweindl/pyPESTO that referenced this pull request Nov 19, 2024
Follow-up to ICB-DCM#1493 and ICB-DCM#1509, which only filled in PEtab-fixed parameters for simulation but not preequilibration in the parameter mapping.

Adding Weber_BMC2015 to the PEtab tests, where this issue popped up.
dweindl added a commit that referenced this pull request Nov 20, 2024
Follow-up to #1493 and #1509, which only filled in PEtab-fixed parameters for simulation but not preequilibration in the parameter mapping.

Adding Weber_BMC2015 to the PEtab tests, where this issue popped up.
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4 participants