Fixes #2260 - including "Global" PK-Parameters into the box-plot/scatter plot

src/PKSim.Core/Model/PopulationSimulation.cs

@@ -8,7 +8,6 @@
 using OSPSuite.Core.Extensions;
 using OSPSuite.Core.Maths.Random;
 using OSPSuite.Utility.Extensions;
-using PKSim.Core.Extensions;
 using PKSim.Core.Repositories;
 
 namespace PKSim.Core.Model
@@ -280,27 +279,37 @@ private DataColumn medianAggregateDataColumns(IReadOnlyList<DataColumn> columns)
          return  new DataColumn(column.Id, column.Dimension, column.BaseGrid)
          {
             Values = Enumerable.Range(0, column.Values.Count).Select(i => 
-                  IndexedValuesFromColumns(columns, i).Median()
+                  indexedValuesFromColumns(columns, i).Median()
                ).ToList()
          };
       }
 
-      private static IReadOnlyList<float> IndexedValuesFromColumns(IReadOnlyList<DataColumn> columns, int i)
+      private static IReadOnlyList<float> indexedValuesFromColumns(IReadOnlyList<DataColumn> columns, int i)
       {
          return columns.Select(x => x.Values[i]).ToList();
       }
 
       public override DataColumn PeripheralVenousBloodColumn(string compoundName)
       {
-         return medianAggregateDataColumns(drugColumnFor(CoreConstants.Organ.PERIPHERAL_VENOUS_BLOOD, CoreConstants.Observer.PLASMA_PERIPHERAL_VENOUS_BLOOD, CoreConstants.Observer.PLASMA_PERIPHERAL_VENOUS_BLOOD, compoundName));
+         return medianAggregateDataColumns(PeripheralVenousBloodColumns(compoundName));
+      }
+
+      public IReadOnlyList<DataColumn> PeripheralVenousBloodColumns(string compoundName)
+      {
+         return drugColumnFor(CoreConstants.Organ.PERIPHERAL_VENOUS_BLOOD, CoreConstants.Observer.PLASMA_PERIPHERAL_VENOUS_BLOOD, CoreConstants.Observer.PLASMA_PERIPHERAL_VENOUS_BLOOD, compoundName);
       }
 
       /// <summary>
       ///    tries to find venous blood plasma if defined in the repository. returns null otherwise
       /// </summary>
       public override DataColumn VenousBloodColumn(string compoundName)
       {
-         return medianAggregateDataColumns(drugColumnFor(CoreConstants.Organ.VENOUS_BLOOD, CoreConstants.Compartment.PLASMA, CoreConstants.Observer.CONCENTRATION_IN_CONTAINER, compoundName));
+         return medianAggregateDataColumns(VenousBloodColumns(compoundName));
+      }
+
+      public IReadOnlyList<DataColumn> VenousBloodColumns(string compoundName)
+      {
+         return drugColumnFor(CoreConstants.Organ.VENOUS_BLOOD, CoreConstants.Compartment.PLASMA, CoreConstants.Observer.CONCENTRATION_IN_CONTAINER, compoundName);
       }
 
       public override DataColumn FabsOral(string compoundName)

src/PKSim.Core/Services/PKAnalysesTask.cs

@@ -1,7 +1,6 @@
 using System;
 using System.Collections.Generic;
 using System.Linq;
-using System.Text.RegularExpressions;
 using OSPSuite.Core.Domain;
 using OSPSuite.Core.Domain.Data;
 using OSPSuite.Core.Domain.PKAnalyses;
@@ -58,35 +57,34 @@ public interface IPKAnalysesTask : OSPSuite.Core.Domain.Services.IPKAnalysesTask
    public class PKAnalysesTask : OSPSuite.Core.Domain.Services.PKAnalysesTask, IPKAnalysesTask
    {
       private readonly ILazyLoadTask _lazyLoadTask;
-      private readonly IEntityPathResolver _entityPathResolver;
       private readonly IPKValuesCalculator _pkValuesCalculator;
       private readonly IPKValuesToPKAnalysisMapper _pkMapper;
       private readonly IDimensionRepository _dimensionRepository;
-      private readonly IPKCalculationOptionsFactory _pkCalculationOptionsFactory;
+      protected readonly IPKCalculationOptionsFactory _pkCalculationOptionsFactory;
       private readonly IPKParameterRepository _pkParameterRepository;
-      private readonly Regex _rangeRegex = new Regex(@"^(.*)Range (\d*)% to (\d*)%");
       private readonly IStatisticalDataCalculator _statisticalDataCalculator;
       private readonly IRepresentationInfoRepository _representationInfoRepository;
+      private readonly IPopulationSimulationBodyWeightUpdater _populationSimulationBodyWeightUpdater;
 
       public PKAnalysesTask(ILazyLoadTask lazyLoadTask,
          IPKValuesCalculator pkValuesCalculator,
          IPKParameterRepository pkParameterRepository,
          IPKCalculationOptionsFactory pkCalculationOptionsFactory,
-         IEntityPathResolver entityPathResolver,
          IPKValuesToPKAnalysisMapper pkMapper,
          IDimensionRepository dimensionRepository,
          IStatisticalDataCalculator statisticalDataCalculator,
-         IRepresentationInfoRepository representationInfoRepository) : base(lazyLoadTask, pkValuesCalculator, pkParameterRepository, pkCalculationOptionsFactory)
+         IRepresentationInfoRepository representationInfoRepository,
+         IPopulationSimulationBodyWeightUpdater populationSimulationBodyWeightUpdater) : base(lazyLoadTask, pkValuesCalculator, pkParameterRepository, pkCalculationOptionsFactory)
       {
          _lazyLoadTask = lazyLoadTask;
-         _entityPathResolver = entityPathResolver;
          _pkMapper = pkMapper;
          _dimensionRepository = dimensionRepository;
          _pkValuesCalculator = pkValuesCalculator;
          _pkCalculationOptionsFactory = pkCalculationOptionsFactory;
          _pkParameterRepository = pkParameterRepository;
          _statisticalDataCalculator = statisticalDataCalculator;
          _representationInfoRepository = representationInfoRepository;
+         _populationSimulationBodyWeightUpdater = populationSimulationBodyWeightUpdater;
       }
 
       public PopulationSimulationPKAnalyses CalculateFor(PopulationSimulation populationSimulation)
@@ -95,17 +93,15 @@ public PopulationSimulationPKAnalyses CalculateFor(PopulationSimulation populati
          if (!populationSimulation.HasResults)
             return new NullPopulationSimulationPKAnalyses();
 
-         var bodyWeightParameter = populationSimulation.BodyWeight;
-         var bodyWeightParameterPath = bodyWeightParameterPathFrom(bodyWeightParameter);
-         var allBodyWeights = populationSimulation.AllValuesFor(bodyWeightParameterPath);
+
 
          try
          {
-            return base.CalculateFor(populationSimulation, populationSimulation.Results, (individualId) => { updateBodyWeightFromCurrentIndividual(bodyWeightParameter, allBodyWeights, individualId); });
+            return base.CalculateFor(populationSimulation, populationSimulation.Results, (individualId) => { _populationSimulationBodyWeightUpdater.UpdateBodyWeightForIndividual(populationSimulation, individualId); });
          }
          finally
          {
-            bodyWeightParameter?.ResetToDefault();
+            _populationSimulationBodyWeightUpdater.ResetBodyWeightParameter(populationSimulation);
          }
       }
 
@@ -117,7 +113,7 @@ public IEnumerable<PopulationPKAnalysis> CalculateFor(IPopulationDataCollector p
             return pkAnalyses; // there are no analyses to calculate
 
          var allColumns = timeProfileChartData.Panes.SelectMany(x => x.Curves).SelectMany(x =>
-               columnsFor(x, populationDataCollector).Select(column => new { curveData = x, column = column }))
+               columnsFor(x, populationDataCollector).Select(column => new { curveData = x, column }))
             .Where(c => c.column.IsConcentration());
 
          var columnsByMolecules = allColumns.GroupBy(x => x.column.MoleculeName());
@@ -259,19 +255,6 @@ private IBusinessRule warningRule(string warning) =>
             .WithRule((param, value) => false)
             .WithError((param, value) => warning);
 
-      private string bodyWeightParameterPathFrom(IParameter bodyWeightParameter)
-      {
-         return bodyWeightParameter != null ? _entityPathResolver.PathFor(bodyWeightParameter) : string.Empty;
-      }
-
-      private void updateBodyWeightFromCurrentIndividual(IParameter bodyWeightParameter, IReadOnlyList<double> allBodyWeights, int individualId)
-      {
-         if (bodyWeightParameter == null)
-            return;
-
-         bodyWeightParameter.Value = allBodyWeights.Count > individualId ? allBodyWeights[individualId] : double.NaN;
-      }
-
       public PKAnalysis CreatePKAnalysisFromValues(PKValues pkValues, Simulation simulation, Compound compound)
       {
          var options = _pkCalculationOptionsFactory.CreateFor(simulation, compound.Name);

src/PKSim.Core/Services/PopulationSimulationBodyWeightUpdater.cs

@@ -0,0 +1,44 @@
+using OSPSuite.Core.Domain;
+using OSPSuite.Core.Domain.Services;
+using PKSim.Core.Model;
+
+namespace PKSim.Core.Services
+{
+   public interface IPopulationSimulationBodyWeightUpdater
+   {
+      void UpdateBodyWeightForIndividual(PopulationSimulation populationSimulation, int individualId);
+      void ResetBodyWeightParameter(PopulationSimulation populationSimulation);
+   }
+
+   public class PopulationSimulationBodyWeightUpdater : IPopulationSimulationBodyWeightUpdater
+   {
+      private readonly IEntityPathResolver _entityPathResolver;
+
+      public PopulationSimulationBodyWeightUpdater(IEntityPathResolver entityPathResolver)
+      {
+         _entityPathResolver = entityPathResolver;
+      }
+
+      public void UpdateBodyWeightForIndividual(PopulationSimulation populationSimulation, int individualId)
+      {
+         var bodyWeightParameter = populationSimulation.BodyWeight;
+         var bodyWeightParameterPath = bodyWeightParameterPathFrom(bodyWeightParameter);
+         var allBodyWeights = populationSimulation.AllValuesFor(bodyWeightParameterPath);
+
+         if (bodyWeightParameter == null)
+            return;
+
+         bodyWeightParameter.Value = allBodyWeights.Count > individualId ? allBodyWeights[individualId] : double.NaN;
+      }
+
+      public void ResetBodyWeightParameter(PopulationSimulation populationSimulation)
+      {
+         populationSimulation.BodyWeight?.ResetToDefault();
+      }
+
+      private string bodyWeightParameterPathFrom(IParameter bodyWeightParameter)
+      {
+         return bodyWeightParameter != null ? _entityPathResolver.PathFor(bodyWeightParameter) : string.Empty;
+      }
+   }
+}

src/PKSim.Core/Services/SimulationResultsSynchronizer.cs

@@ -1,7 +1,5 @@
 using System.Linq;
-using OSPSuite.Core.Domain;
 using OSPSuite.Core.Domain.Data;
-using OSPSuite.Core.Extensions;
 using OSPSuite.Core.Services;
 using OSPSuite.Utility.Collections;
 using OSPSuite.Utility.Extensions;
@@ -37,17 +35,20 @@ public class SimulationResultsSynchronizer : ISimulationResultsSynchronizer
       private readonly ISimulationResultsCreator _simulationResultsCreator;
       private readonly IDisplayUnitUpdater _displayUnitUpdater;
       private readonly IDataRepositoryFromResultsCreator _dataRepositoryFromResultsCreator;
+      private readonly IGlobalPKAnalysisTask _globalPKAnalysisTask;
 
       public SimulationResultsSynchronizer(
          IPKAnalysesTask populationPKAnalysesTask,
          ISimulationResultsCreator simulationResultsCreator,
-         IDisplayUnitUpdater displayUnitUpdater, 
-         IDataRepositoryFromResultsCreator dataRepositoryFromResultsCreator)
+         IDisplayUnitUpdater displayUnitUpdater,
+         IDataRepositoryFromResultsCreator dataRepositoryFromResultsCreator,
+         IGlobalPKAnalysisTask globalPKAnalysisTask)
       {
          _populationPKAnalysesTask = populationPKAnalysesTask;
          _simulationResultsCreator = simulationResultsCreator;
          _displayUnitUpdater = displayUnitUpdater;
          _dataRepositoryFromResultsCreator = dataRepositoryFromResultsCreator;
+         _globalPKAnalysisTask = globalPKAnalysisTask;
       }
 
       public void Synchronize(IndividualSimulation simulation, DataRepository newResults)
@@ -71,6 +72,8 @@ public void Synchronize(PopulationSimulation populationSimulation, SimulationRes
       {
          populationSimulation.Results = newResults;
          populationSimulation.PKAnalyses = _populationPKAnalysesTask.CalculateFor(populationSimulation);
+
+         _globalPKAnalysisTask.CalculateQuantityPKForPopulationSimulation(populationSimulation).Each(populationSimulation.PKAnalyses.AddPKAnalysis);
       }
 
       private void updateSequence(DataRepository results)

src/PKSim.Presentation/Presenters/PopulationAnalyses/PopulationAnalysisAvailablePKParametersPresenter.cs

@@ -3,7 +3,6 @@
 using System.Linq;
 using PKSim.Core.Model;
 using PKSim.Core.Services;
-using PKSim.Presentation.DTO.Mappers;
 using PKSim.Presentation.DTO.PopulationAnalyses;
 
 using PKSim.Presentation.Presenters.Populations;
@@ -13,6 +12,7 @@
 using OSPSuite.Core.Domain.PKAnalyses;
 using OSPSuite.Presentation.Mappers;
 using OSPSuite.Presentation.Presenters;
+using OSPSuite.Utility.Extensions;
 
 namespace PKSim.Presentation.Presenters.PopulationAnalyses
 {
@@ -69,6 +69,16 @@ private void createAvailableQuantitiesListBasedOn(IPopulationDataCollector popul
       {
          _allPKParameters.Clear();
          _allPKParameters.AddRange(_entitiesInContainerRetriever.OutputsFrom(populationDataCollector).SelectMany(availablePKParametersFor));
+
+         populationDataCollector.Compounds.Select(x => x.Name).Each(compoundName =>
+         {
+            _allPKParameters.AddRange(populationDataCollector.AllPKParametersFor(compoundName).Select(globalPKParameters));
+         });
+      }
+
+      private QuantityPKParameterDTO globalPKParameters(QuantityPKParameter globalPKParameter)
+      {
+         return mapFrom(globalPKParameter, globalPKParameter.QuantityPath);
       }
 
       public IEnumerable<QuantityPKParameter> SelectedPKParameters

src/PKSim.Presentation/Presenters/PopulationAnalyses/PopulationAnalysisPKParameterFieldsPresenter.cs

@@ -59,7 +59,7 @@ private PopulationAnalysisPKParameterField createFieldFrom(QuantityPKParameter p
       {
          var quantity = _allQuantities[pkParameter.QuantityPath];
          if (quantity == null)
-            return null;
+            return _populationAnalysisFieldFactory.CreateFor(pkParameter, QuantityType.Drug | QuantityType.Observer, quantityDisplayPath);
 
          return _populationAnalysisFieldFactory.CreateFor(pkParameter, quantity.QuantityType, quantityDisplayPath);
       }