Open-Systems-Pharmacology / OSPSuite.Core

Core functionalities of the Open Systems Pharmacology Suite
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Do not create container observer in "ForAll" scenario for non floating molecules #916

Open msevestre opened 3 years ago

msevestre commented 3 years ago

@Yuri05 commented on Fri Oct 23 2020

If I export a simulation which contains proteins from PK-Sim to MoBi and recreate in MoBi, unnecessary empty molecule properties containers are created on organ level. E.g. originally exported simulation looks like this (molecule properties for CYP3A4 only on compartment level, which is correct): grafik Creating new simulation from existing building blocks in MoBi produces empty CYP3A4-container on organ level: grafik

If such a simulation is then exported back to PK-Sim: editing of relative expressions crashes grafik (I guess due to normalization, which tries to find relExp_Norm parameter in ALL CYP3A4-containers, which crashes then for those wrongly inserted empty containers.


@msevestre commented on Fri Mar 12 2021

Well well...it took me some times but it seems to be by design In PKSim, observers are never ForAll. However, when we export to Mobi, some observers are set explicitly to ForAll=True

  public static IReadOnlyCollection<string> MoBiForAll => new[]
            {CONCENTRATION_IN_CONTAINER, FRACTION_EXCRETED_TO_URINE, TISSUE, PLASMA_PERIPHERAL_VENOUS_BLOOD, PLASMA_UNBOUND_PERIPHERAL_VENOUS_BLOOD};

One of them is Tissue image

and that's why it is showing up here

I feel that ForAll should not apply to non floating molecule

@Yuri05 @PavelBal @StephanSchaller Thoughts?

msevestre commented 3 years ago

This needs discussion here. I just wanted to try

Yuri05 commented 3 years ago

I feel that ForAll should not apply to non floating molecule

Hard to say... no real opinion on this from my side...