Version 9.1

Hotfix/v9.1
Open-Systems-Pharmacology · Jul 22, 2020 · b305b16 · b305b16
2 parents eceaa47 + 8ef2681
commit b305b16
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Showing 18 changed files with 99 additions and 127 deletions.
diff --git a/appveyor-nightly.yml b/appveyor-nightly.yml
@@ -6,7 +6,7 @@ init:
   - cmd: if DEFINED APPVEYOR_PULL_REQUEST_NUMBER (Set build_number=1) ELSE (Set build_number=%APPVEYOR_BUILD_NUMBER%)
 
 environment:
-  app_version: "9.0"
+  app_version: "9.1"
   APPVEYOR_BLOCK_DOTNETCORE_TESTS_AUTORUN: true
 
 version: "$(app_version).{build}"

diff --git a/appveyor.yml b/appveyor.yml
@@ -6,7 +6,7 @@ init:
   - cmd: if DEFINED APPVEYOR_PULL_REQUEST_NUMBER (Set build_number=1) ELSE (Set build_number=%APPVEYOR_BUILD_NUMBER%)
 
 environment:
-  app_version: "9.0"
+  app_version: "9.1"
   APPVEYOR_BLOCK_DOTNETCORE_TESTS_AUTORUN: true
 
 version: "$(app_version).{build}"
@@ -25,6 +25,7 @@ skip_branch_with_pr: true
 branches:
   only:
     - develop
+    - hotfix/v9.1
 
 pull_requests:
   do_not_increment_build_number: true

diff --git a/src/PKSim.Core/CoreConstants.cs b/src/PKSim.Core/CoreConstants.cs
@@ -190,18 +190,22 @@ public static class Alias
          public static readonly string TABLE = "Table";
          public static readonly string XARG = "XArg";
          public static readonly string OFFSET = "Offset";
-         public static readonly string COMPETIVE_INHIBITION_KI = "KcI";
-         public static readonly string UNCOMPETIVE_INHIBITION_KI = "KuI";
-         public static readonly string NON_COMPETIVE_INHIBITION_KI = "KnI";
+         public static readonly string COMPETITIVE_INHIBITION_KI = "KcI";
+         public static readonly string UNCOMPETITIVE_INHIBITION_KI = "KuI";
+         public static readonly string NON_COMPETITIVE_INHIBITION_KI = "KnI";
          public static readonly string MIXED_COMPETITIVE_INHIBITION_KI = "KmcI";
          public static readonly string MIXED_UNCOMPETITIVE_INHIBITION_KI = "KmuI";
          public static readonly string IRREVERSIBLE_INHIBITION_KI = "KcTDI";
-         public static readonly string COMPETIVE_INHIBITION_I = "Ic";
-         public static readonly string UNCOMPETIVE_INHIBITION_I = "Iu";
-         public static readonly string NON_COMPETIVE_INHIBITION_I = "In";
-         public static readonly string MIXED_COMPETIVE_INHIBITION_I = "Im";
+         public static readonly string COMPETITIVE_INHIBITION_I = "Ic";
+         public static readonly string UNCOMPETITIVE_INHIBITION_I = "Iu";
+         public static readonly string NON_COMPETITIVE_INHIBITION_I = "In";
+         public static readonly string MIXED_INHIBITION_I = "Im";
          public static readonly string IRREVERSIBLE_INHIBITION_I = "IcTD";
-         public static readonly string K_WATER = "K_water";
+         public static readonly string COMPETITIVE_INHIBITION_K_WATER = "K_water_c";
+         public static readonly string UNCOMPETITIVE_INHIBITION_K_WATER = "K_water_u";
+         public static readonly string NON_COMPETITIVE_INHIBITION_K_WATER = "K_water_n";
+         public static readonly string MIXED_INHIBITION_K_WATER = "K_water_m";
+         public static readonly string IRREVERSIBLE_INHIBITION_K_WATER = "K_water_cTD";
       }
 
       public static class ActiveTransport

diff --git a/src/PKSim.Core/Services/CompetitiveInhibitionsKineticUpdaterSpecification.cs b/src/PKSim.Core/Services/CompetitiveInhibitionsKineticUpdaterSpecification.cs
@@ -5,17 +5,18 @@
 namespace PKSim.Core.Services
 {
    /// <summary>
-   ///    Represents the updater for competive inhibition processes only (not mixed inhibition)
+   ///    Represents the updater for competitive inhibition processes only (not mixed inhibition)
    /// </summary>
    public class CompetitiveInhibitionsKineticUpdaterSpecification : InteractionKineticUpdaterSpecificationBase
    {
       public CompetitiveInhibitionsKineticUpdaterSpecification(IObjectPathFactory objectPathFactory, IDimensionRepository dimensionRepository, IInteractionTask interactionTask) :
          base(objectPathFactory, dimensionRepository, interactionTask,InteractionType.CompetitiveInhibition,
-            kiNumeratorAlias: CoreConstants.Alias.COMPETIVE_INHIBITION_KI,
+            kiNumeratorAlias: CoreConstants.Alias.COMPETITIVE_INHIBITION_KI,
             kiNumeratorParameter: CoreConstants.Parameters.KI,
-            kiDenominatorAlias: CoreConstants.Alias.COMPETIVE_INHIBITION_KI,
+            kiDenominatorAlias: CoreConstants.Alias.COMPETITIVE_INHIBITION_KI,
             kiDenominatorParameter: CoreConstants.Parameters.KI,
-            inhibitorAlias: CoreConstants.Alias.COMPETIVE_INHIBITION_I)
+            inhibitorAlias: CoreConstants.Alias.COMPETITIVE_INHIBITION_I,
+            kWaterAlias: CoreConstants.Alias.COMPETITIVE_INHIBITION_K_WATER)
       {
       }
    }

diff --git a/src/PKSim.Core/Services/InteractionKineticUpdaterSpecificationBase.cs b/src/PKSim.Core/Services/InteractionKineticUpdaterSpecificationBase.cs
@@ -23,10 +23,11 @@ public abstract class InteractionKineticUpdaterSpecificationBase : IInteractionK
       private readonly string _kiDenominatorParameter;
       private readonly string _kiNumeratorAlias;
       private readonly string _kiDenominatorAlias;
+      private readonly string _kWaterAlias;
       private readonly string _inhibitorAlias;
 
       protected InteractionKineticUpdaterSpecificationBase(IObjectPathFactory objectPathFactory, IDimensionRepository dimensionRepository, IInteractionTask interactionTask, InteractionType interactionType,
-         string kiNumeratorParameter, string kiDenominatorParameter, string kiNumeratorAlias, string kiDenominatorAlias, string inhibitorAlias)
+         string kiNumeratorParameter, string kiDenominatorParameter, string kiNumeratorAlias, string kiDenominatorAlias, string inhibitorAlias, string kWaterAlias)
       {
          _objectPathFactory = objectPathFactory;
          _dimensionRepository = dimensionRepository;
@@ -38,6 +39,7 @@ protected InteractionKineticUpdaterSpecificationBase(IObjectPathFactory objectPa
          _kiNumeratorAlias = kiNumeratorAlias;
          _kiDenominatorAlias = kiDenominatorAlias;
          _inhibitorAlias = inhibitorAlias;
+         _kWaterAlias = kWaterAlias;
       }
 
       public bool UpdateRequiredFor(string moleculeName, string compoundName, Simulation simulation)
@@ -97,12 +99,12 @@ private string inhibitionTermsFor(string moleculeName, string compoundName, Simu
             return string.Empty;
 
          var kiAliasBase = kiAliasFrom(kineticModification);
-         var inibitionTerms = new List<string>();
+         var inhibitionTerms = new List<string>();
 
          doOverAllInteractions(moleculeName, compoundName, simulation, kiAliasBase,
-            (interactionProcess, inhibitorAlias, kiAlias, kwaterAlias) => inibitionTerms.Add($"{kwaterAlias}*{inhibitorAlias}/{kiAlias}"));
+            (interactionProcess, inhibitorAlias, kiAlias, kwaterAlias) => inhibitionTerms.Add($"{kwaterAlias}*{inhibitorAlias}/{kiAlias}"));
 
-         return inibitionTerms.ToString(" + ");
+         return inhibitionTerms.ToString(" + ");
       }
 
       private void updateReferences(IUsingFormula usingFormula, string moleculeName, string compoundName, Simulation simulation,
@@ -120,7 +122,7 @@ private void updateReferences(IUsingFormula usingFormula, string moleculeName, s
             var inhibitor = interactionProcess.ParentCompound;
 
             if (formula.FormulaUsablePathBy(inhibitorAlias) == null)
-               formula.AddObjectPath(inhiborConcentrationPath(inhibitor, inhibitorAlias, processParameterContainer));
+               formula.AddObjectPath(inhibitorConcentrationPath(inhibitor, inhibitorAlias, processParameterContainer));
 
             if (formula.FormulaUsablePathBy(kwaterAlias) == null)
                formula.AddObjectPath(kwaterPath(inhibitor, kwaterAlias, processParameterContainer));
@@ -136,9 +138,9 @@ private void doOverAllInteractions(string moleculeName, string compoundName, Sim
          AllInteractionProcessesFor(moleculeName, compoundName, simulation).Each((interactionProcess, i) =>
          {
             var inhibitorIndex = i + 1;
-            var inhibitorAlias = string.Format("{0}{1}", _inhibitorAlias, inhibitorIndex);
-            var kiAlias = string.Format("{0}{1}", kiAliasBase, inhibitorIndex);
-            var kwaterAlias = string.Format("{0}{1}", CoreConstants.Alias.K_WATER, inhibitorIndex);
+            var inhibitorAlias = $"{_inhibitorAlias}{inhibitorIndex}";
+            var kiAlias = $"{kiAliasBase}{inhibitorIndex}";
+            var kwaterAlias = $"{_kWaterAlias}{inhibitorIndex}";
             action(interactionProcess, inhibitorAlias, kiAlias, kwaterAlias);
          });
       }
@@ -155,20 +157,20 @@ private IFormulaUsablePath kiPath(string kiParameter, Compound inhibitor, Intera
             .WithDimension(_dimensionRepository.MolarConcentration);
       }
 
-      private IFormulaUsablePath inhiborConcentrationPath(Compound inhibitor, string inhibitorAlias, IContainer processParameterContainer)
+      private IFormulaUsablePath inhibitorConcentrationPath(Compound inhibitor, string inhibitorAlias, IContainer processParameterContainer)
       {
-         return localInibitorParameterPath(inhibitor, Constants.Parameters.CONCENTRATION, inhibitorAlias, processParameterContainer, _dimensionRepository.MolarConcentration);
+         return localInhibitorParameterPath(inhibitor, Constants.Parameters.CONCENTRATION, inhibitorAlias, processParameterContainer, _dimensionRepository.MolarConcentration);
       }
 
       private IFormulaUsablePath kwaterPath(Compound inhibitor, string kwaterAlias, IContainer processParameterContainer)
       {
-         return localInibitorParameterPath(inhibitor, CoreConstants.Parameters.K_WATER, kwaterAlias, processParameterContainer, _dimensionRepository.NoDimension);
+         return localInhibitorParameterPath(inhibitor, CoreConstants.Parameters.K_WATER, kwaterAlias, processParameterContainer, _dimensionRepository.NoDimension);
       }
 
-      private IFormulaUsablePath localInibitorParameterPath(Compound inhibitor, string parameterName, string parametrAlias, IContainer processParameterContainer, IDimension dimension)
+      private IFormulaUsablePath localInhibitorParameterPath(Compound inhibitor, string parameterName, string parameterAlias, IContainer processParameterContainer, IDimension dimension)
       {
          var objectPath = _objectPathFactory.CreateFormulaUsablePathFrom(inhibitor.Name, parameterName)
-            .WithAlias(parametrAlias)
+            .WithAlias(parameterAlias)
             .WithDimension(dimension);
 
          return processParameterContainer.IsAnImplementationOf<IReactionBuilder>()
@@ -183,26 +185,26 @@ private static InteractionKineticModifications modificationsFrom(InteractionType
 
       private string kiAliasFrom(InteractionKineticModifications kineticModification)
       {
-         return kiInfoFrom(kineticModification).Item1;
+         return kiInfoFrom(kineticModification).kiAlias;
       }
 
       private string kiParameterFrom(InteractionKineticModifications kineticModification)
       {
-         return kiInfoFrom(kineticModification).Item2;
+         return kiInfoFrom(kineticModification).kiParameter;
       }
 
-      private Tuple<string, string> kiInfoFrom(InteractionKineticModifications kineticModification)
+      private (string kiAlias, string kiParameter) kiInfoFrom(InteractionKineticModifications kineticModification)
       {
          switch (kineticModification)
          {
             case InteractionKineticModifications.KmDenominator:
             case InteractionKineticModifications.KcatDenominator:
-               return new Tuple<string, string>(_kiDenominatorAlias, _kiDenominatorParameter);
+               return (_kiDenominatorAlias, _kiDenominatorParameter);
             case InteractionKineticModifications.KmNumerator:
             case InteractionKineticModifications.CLSpecDenominator:
-               return new Tuple<string, string>(_kiNumeratorAlias, _kiNumeratorParameter);
+               return (_kiNumeratorAlias, _kiNumeratorParameter);
             default:
-               throw new ArgumentOutOfRangeException("kineticModification");
+               throw new ArgumentOutOfRangeException(nameof(kineticModification));
          }
       }
    }

diff --git a/src/PKSim.Core/Services/InteractionTask.cs b/src/PKSim.Core/Services/InteractionTask.cs
@@ -38,7 +38,7 @@ public interface IInteractionTask
       ///    named  <paramref name="moleculeName" />
       ///    having the type <paramref name="interactionType" />. If <paramref name="compoundName" /> is specified, all
       ///    <see cref="InteractionProcess" /> induced by a compound
-      ///    named <paramref name="compoundName" /> will be filtered out (defacto removing autoihibiting processes)
+      ///    named <paramref name="compoundName" /> will be filtered out (defacto removing auto-inhibiting processes)
       /// </summary>
       IReadOnlyList<InteractionProcess> AllInteractionProcessesFor(string moleculeName, InteractionType interactionType, Simulation simulation, string compoundName = null);
    }
@@ -70,7 +70,7 @@ public virtual bool IsMetabolite(Compound compound, Simulation simulation)
       public virtual IEnumerable<IContainer> AllInteractionContainers(Simulation simulation)
       {
          var model = simulation.Model;
-         if (model == null || model.Root == null)
+         if (model?.Root == null)
             yield break;
 
          foreach (var interactionSelection in simulation.InteractionProperties.AllEnabledInteractions())

diff --git a/src/PKSim.Core/Services/IrreversibleInhibitionKineticUpdaterSpecification.cs b/src/PKSim.Core/Services/IrreversibleInhibitionKineticUpdaterSpecification.cs
@@ -5,7 +5,7 @@
 namespace PKSim.Core.Services
 {
    /// <summary>
-   ///    Represents the updater for irreversibleinhibition processes only
+   ///    Represents the updater for irreversible inhibition processes only
    /// </summary>
    public class IrreversibleInhibitionKineticUpdaterSpecification : InteractionKineticUpdaterSpecificationBase
    {
@@ -15,7 +15,8 @@ public IrreversibleInhibitionKineticUpdaterSpecification(IObjectPathFactory obje
             kiNumeratorParameter: CoreConstants.Parameters.KI,
             kiDenominatorAlias: CoreConstants.Alias.IRREVERSIBLE_INHIBITION_KI,
             kiDenominatorParameter: CoreConstants.Parameters.KI,
-            inhibitorAlias: CoreConstants.Alias.IRREVERSIBLE_INHIBITION_I)
+            inhibitorAlias: CoreConstants.Alias.IRREVERSIBLE_INHIBITION_I,
+            kWaterAlias:CoreConstants.Alias.IRREVERSIBLE_INHIBITION_K_WATER)
       {
       }
    }

diff --git a/src/PKSim.Core/Services/MixedInhibitionKineticUpdaterSpecification.cs b/src/PKSim.Core/Services/MixedInhibitionKineticUpdaterSpecification.cs
@@ -15,7 +15,8 @@ public MixedInhibitionKineticUpdaterSpecification(IObjectPathFactory objectPathF
             kiNumeratorParameter: CoreConstants.Parameters.KI_C,
             kiDenominatorAlias: CoreConstants.Alias.MIXED_UNCOMPETITIVE_INHIBITION_KI,
             kiDenominatorParameter: CoreConstants.Parameters.KI_U,
-            inhibitorAlias: CoreConstants.Alias.MIXED_COMPETIVE_INHIBITION_I)
+            inhibitorAlias: CoreConstants.Alias.MIXED_INHIBITION_I,
+            kWaterAlias: CoreConstants.Alias.MIXED_INHIBITION_K_WATER)
       {
       }  
    }

diff --git a/src/PKSim.Core/Services/NonCompetitiveInhibitionKineticUpdaterSpecification.cs b/src/PKSim.Core/Services/NonCompetitiveInhibitionKineticUpdaterSpecification.cs
@@ -11,11 +11,12 @@ public class NonCompetitiveInhibitionKineticUpdaterSpecification : InteractionKi
    {
       public NonCompetitiveInhibitionKineticUpdaterSpecification(IObjectPathFactory objectPathFactory, IDimensionRepository dimensionRepository, IInteractionTask interactionTask) :
          base(objectPathFactory, dimensionRepository, interactionTask, InteractionType.NonCompetitiveInhibition,
-            kiNumeratorAlias: CoreConstants.Alias.NON_COMPETIVE_INHIBITION_KI,
+            kiNumeratorAlias: CoreConstants.Alias.NON_COMPETITIVE_INHIBITION_KI,
             kiNumeratorParameter: CoreConstants.Parameters.KI,
-            kiDenominatorAlias: CoreConstants.Alias.NON_COMPETIVE_INHIBITION_KI,
+            kiDenominatorAlias: CoreConstants.Alias.NON_COMPETITIVE_INHIBITION_KI,
             kiDenominatorParameter: CoreConstants.Parameters.KI,
-            inhibitorAlias: CoreConstants.Alias.NON_COMPETIVE_INHIBITION_I)
+            inhibitorAlias: CoreConstants.Alias.NON_COMPETITIVE_INHIBITION_I,
+            kWaterAlias:CoreConstants.Alias.NON_COMPETITIVE_INHIBITION_K_WATER)
       {
       }  
    }

diff --git a/src/PKSim.Core/Services/UncompetitiveInhibitionKineticUpdaterSpecification.cs b/src/PKSim.Core/Services/UncompetitiveInhibitionKineticUpdaterSpecification.cs
@@ -11,11 +11,12 @@ public class UncompetitiveInhibitionKineticUpdaterSpecification : InteractionKin
    {
       public UncompetitiveInhibitionKineticUpdaterSpecification(IObjectPathFactory objectPathFactory, IDimensionRepository dimensionRepository, IInteractionTask interactionTask) :
          base(objectPathFactory, dimensionRepository, interactionTask, InteractionType.UncompetitiveInhibition,
-            kiNumeratorAlias: CoreConstants.Alias.UNCOMPETIVE_INHIBITION_KI,
+            kiNumeratorAlias: CoreConstants.Alias.UNCOMPETITIVE_INHIBITION_KI,
             kiNumeratorParameter: CoreConstants.Parameters.KI,
-            kiDenominatorAlias: CoreConstants.Alias.UNCOMPETIVE_INHIBITION_KI,
+            kiDenominatorAlias: CoreConstants.Alias.UNCOMPETITIVE_INHIBITION_KI,
             kiDenominatorParameter: CoreConstants.Parameters.KI,
-            inhibitorAlias: CoreConstants.Alias.UNCOMPETIVE_INHIBITION_I)
+            inhibitorAlias: CoreConstants.Alias.UNCOMPETITIVE_INHIBITION_I,
+            kWaterAlias:CoreConstants.Alias.UNCOMPETITIVE_INHIBITION_K_WATER)
       {
       }
    }

diff --git a/src/PKSim.Presentation/DTO/Simulations/SimulationIntervalDTO.cs b/src/PKSim.Presentation/DTO/Simulations/SimulationIntervalDTO.cs
diff --git a/src/PKSim.UI/Views/Compounds/CompoundParameterWithDefaultAlternativeBaseView.cs b/src/PKSim.UI/Views/Compounds/CompoundParameterWithDefaultAlternativeBaseView.cs
@@ -111,7 +111,13 @@ protected override bool ColumnIsButton(GridColumn column)
       {
          return Equals(_colButtons?.XtraColumn, column);
       }
-
+
+
+      protected override bool ColumnIsCheckBox(GridColumn column)
+      {
+         return Equals(_colDefault?.XtraColumn, column);
+      }
+
       public override void InitializeResources()
       {
          base.InitializeResources();