virtualcell / vcell

Virtual Cell Framework
http://vcell.org/
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SBML export for parameter overrides #793

Closed vcellmike closed 1 year ago

vcellmike commented 1 year ago

Any published model that has parameters override will give NullPointer Exception Dreyer 2022, Martin 2021, Rosenbloom 2021 RuntimeException-Could not apply overrides from simulation to application parameters : null NullPointerException-

King2021 - this model actually has an error in the database RuntimeException-Unable to perform operation. Errors found: The Simulation 'Uptake_Larger Jumps' has unused Math Overrides. See the Problems panel for a full list of errors and detailed error information.

danv61 commented 1 year ago

"Dreyer 2022" biomodel_225440511 This is the correct message when we export to omex - model has electric

RuntimeException-Error adding model to SEDML document : SimContext 'Application0' could not be exported to SBML :Membrane 'PM has membrane potential enabled, SBML Export is not supported
Exception-SimContext 'Application0' could not be exported to SBML :Membrane 'PM has membrane potential enabled, SBML Export is not supported
UnsupportedSbmlExportException-Membrane 'PM has membrane potential enabled, SBML Export is not supported
danv61 commented 1 year ago

When exporting to SBML:

RuntimeException-Could not apply overrides from simulation to application parameters : null
NullPointerException-
jcschaff commented 1 year ago

@vcellmike @moraru @danv61 what do we do about applying math overrides during SBML export when the selected Simulation has scanned parameters. Options are:

Any ideas?

jcschaff commented 1 year ago

and if there are function dependencies in the parameter, e.g. default = 2.0, actual = (0.06667 * kon), then thinking it would make sense to only apply the numerical values rather than trying to introduce the functional dependency (complex and error prone).

jcschaff commented 1 year ago

regarding scanned parameters, will reproduce existing behavior of specifying the job index for each transform and exporting one SBML document per job.