Reacting solvers: Added check for the existence of the inert specie

applications/solvers/combustion/fireFoam/YEEqn.H

@@ -12,12 +12,11 @@ tmp<fv::convectionScheme<scalar>> mvConvection
     radiation->correct();
     combustion->correct();
     dQ = combustion->dQ();
-    label inertIndex = -1;
     volScalarField Yt(0.0*Y[0]);
 
     forAll(Y, i)
     {
-        if (Y[i].name() != inertSpecie)
+        if (i != inertIndex)
         {
             volScalarField& Yi = Y[i];
 
@@ -44,10 +43,6 @@ tmp<fv::convectionScheme<scalar>> mvConvection
             Yi.max(0.0);
             Yt += Yi;
         }
-        else
-        {
-            inertIndex = i;
-        }
     }
 
     Y[inertIndex] = scalar(1) - Yt;

applications/solvers/combustion/fireFoam/createFieldRefs.H

@@ -1,3 +1,4 @@
 const volScalarField& psi = thermo.psi();
 const volScalarField& T = thermo.T();
 filmModelType& surfaceFilm = tsurfaceFilm();
+const label inertIndex(composition.species()[inertSpecie]);

applications/solvers/combustion/fireFoam/createFields.H

@@ -19,6 +19,13 @@ basicMultiComponentMixture& composition = thermo.composition();
 PtrList<volScalarField>& Y = composition.Y();
 
 const word inertSpecie(thermo.lookup("inertSpecie"));
+if (!composition.species().found(inertSpecie))
+{
+    FatalIOErrorIn(args.executable().c_str(), thermo)
+        << "Inert specie " << inertSpecie << " not found in available species "
+        << composition.species()
+        << exit(FatalIOError);
+}
 
 Info<< "Creating field rho\n" << endl;
 volScalarField rho

applications/solvers/combustion/reactingFoam/YEqn.H

@@ -12,12 +12,11 @@ tmp<fv::convectionScheme<scalar>> mvConvection
 {
     reaction->correct();
     dQ = reaction->dQ();
-    label inertIndex = -1;
     volScalarField Yt(0.0*Y[0]);
 
     forAll(Y, i)
     {
-        if (Y[i].name() != inertSpecie)
+        if (i != inertIndex)
         {
             volScalarField& Yi = Y[i];
 
@@ -42,10 +41,6 @@ tmp<fv::convectionScheme<scalar>> mvConvection
             Yi.max(0.0);
             Yt += Yi;
         }
-        else
-        {
-            inertIndex = i;
-        }
     }
 
     Y[inertIndex] = scalar(1) - Yt;

applications/solvers/combustion/reactingFoam/createFieldRefs.H

@@ -1,2 +1,3 @@
 const volScalarField& psi = thermo.psi();
 const volScalarField& T = thermo.T();
+const label inertIndex(composition.species()[inertSpecie]);

applications/solvers/combustion/reactingFoam/createFields.H

@@ -11,7 +11,14 @@ thermo.validate(args.executable(), "h", "e");
 basicMultiComponentMixture& composition = thermo.composition();
 PtrList<volScalarField>& Y = composition.Y();
 
-word inertSpecie(thermo.lookup("inertSpecie"));
+const word inertSpecie(thermo.lookup("inertSpecie"));
+if (!composition.species().found(inertSpecie))
+{
+    FatalIOErrorIn(args.executable().c_str(), thermo)
+        << "Inert specie " << inertSpecie << " not found in available species "
+        << composition.species()
+        << exit(FatalIOError);
+}
 
 volScalarField rho
 (

applications/solvers/combustion/reactingFoam/rhoReactingBuoyantFoam/createFieldRefs.H

@@ -1,2 +1,3 @@
 const volScalarField& psi = thermo.psi();
 const volScalarField& T = thermo.T();
+const label inertIndex(composition.species()[inertSpecie]);

applications/solvers/combustion/reactingFoam/rhoReactingBuoyantFoam/createFields.H

@@ -11,7 +11,14 @@ thermo.validate(args.executable(), "h", "e");
 basicMultiComponentMixture& composition = thermo.composition();
 PtrList<volScalarField>& Y = composition.Y();
 
-word inertSpecie(thermo.lookup("inertSpecie"));
+const word inertSpecie(thermo.lookup("inertSpecie"));
+if (!composition.species().found(inertSpecie))
+{
+    FatalIOErrorIn(args.executable().c_str(), thermo)
+        << "Inert specie " << inertSpecie << " not found in available species "
+        << composition.species()
+        << exit(FatalIOError);
+}
 
 volScalarField rho
 (

applications/solvers/combustion/reactingFoam/rhoReactingFoam/createFieldRefs.H

@@ -1,2 +1,3 @@
 const volScalarField& psi = thermo.psi();
 const volScalarField& T = thermo.T();
+const label inertIndex(composition.species()[inertSpecie]);

applications/solvers/combustion/reactingFoam/rhoReactingFoam/createFields.H

@@ -11,7 +11,14 @@ thermo.validate(args.executable(), "h", "e");
 basicMultiComponentMixture& composition = thermo.composition();
 PtrList<volScalarField>& Y = composition.Y();
 
-word inertSpecie(thermo.lookup("inertSpecie"));
+const word inertSpecie(thermo.lookup("inertSpecie"));
+if (!composition.species().found(inertSpecie))
+{
+    FatalIOErrorIn(args.executable().c_str(), thermo)
+        << "Inert specie " << inertSpecie << " not found in available species "
+        << composition.species()
+        << exit(FatalIOError);
+}
 
 volScalarField rho
 (

applications/solvers/lagrangian/coalChemistryFoam/YEqn.H

@@ -13,12 +13,11 @@ tmp<fv::convectionScheme<scalar>> mvConvection
 {
     combustion->correct();
     dQ = combustion->dQ();
-    label inertIndex = -1;
     volScalarField Yt(0.0*Y[0]);
 
     forAll(Y, i)
     {
-        if (Y[i].name() != inertSpecie)
+        if (i != inertIndex)
         {
             volScalarField& Yi = Y[i];
 
@@ -44,10 +43,6 @@ tmp<fv::convectionScheme<scalar>> mvConvection
             Yi.max(0.0);
             Yt += Yi;
         }
-        else
-        {
-            inertIndex = i;
-        }
     }
 
     Y[inertIndex] = scalar(1) - Yt;

applications/solvers/lagrangian/coalChemistryFoam/coalChemistryFoam.C

@@ -55,6 +55,7 @@ int main(int argc, char *argv[])
     #include "createTimeControls.H"
     #include "createRDeltaT.H"
     #include "createFields.H"
+    #include "createFieldRefs.H"
     #include "createFvOptions.H"
     #include "initContinuityErrs.H"
 

applications/solvers/lagrangian/coalChemistryFoam/createFieldRefs.H

@@ -0,0 +1 @@
+const label inertIndex(composition.species()[inertSpecie]);

applications/solvers/lagrangian/coalChemistryFoam/createFields.H

@@ -16,13 +16,12 @@ basicSpecieMixture& composition = thermo.composition();
 PtrList<volScalarField>& Y = composition.Y();
 
 const word inertSpecie(thermo.lookup("inertSpecie"));
-
+if (!composition.species().found(inertSpecie))
-if (!composition.contains(inertSpecie))
 {
-    FatalErrorInFunction
+    FatalIOErrorIn(args.executable().c_str(), thermo)
-        << "Specified inert specie '" << inertSpecie << "' not found in "
+        << "Inert specie " << inertSpecie << " not found in available species "
-        << "species list. Available species:" << composition.species()
+        << composition.species()
-        << exit(FatalError);
+        << exit(FatalIOError);
 }
 
 volScalarField& p = thermo.p();

applications/solvers/lagrangian/reactingParcelFilmFoam/YEqn.H

@@ -13,12 +13,11 @@ tmp<fv::convectionScheme<scalar>> mvConvection
 {
     combustion->correct();
     dQ = combustion->dQ();
-    label inertIndex = -1;
     volScalarField Yt(0.0*Y[0]);
 
     forAll(Y, i)
     {
-        if (Y[i].name() != inertSpecie)
+        if (i != inertIndex)
         {
             volScalarField& Yi = Y[i];
 
@@ -45,10 +44,6 @@ tmp<fv::convectionScheme<scalar>> mvConvection
             Yi.max(0.0);
             Yt += Yi;
         }
-        else
-        {
-            inertIndex = i;
-        }
     }
 
     Y[inertIndex] = scalar(1) - Yt;

applications/solvers/lagrangian/reactingParcelFilmFoam/createFieldRefs.H

@@ -0,0 +1 @@
+const label inertIndex(composition.species()[inertSpecie]);

applications/solvers/lagrangian/reactingParcelFilmFoam/createFields.H

@@ -14,6 +14,13 @@ basicSpecieMixture& composition = thermo.composition();
 PtrList<volScalarField>& Y = composition.Y();
 
 const word inertSpecie(thermo.lookup("inertSpecie"));
+if (!composition.species().found(inertSpecie))
+{
+    FatalIOErrorIn(args.executable().c_str(), thermo)
+        << "Inert specie " << inertSpecie << " not found in available species "
+        << composition.species()
+        << exit(FatalIOError);
+}
 
 Info<< "Creating field rho\n" << endl;
 volScalarField rho

applications/solvers/lagrangian/reactingParcelFilmFoam/reactingParcelFilmFoam.C

@@ -52,6 +52,7 @@ int main(int argc, char *argv[])
     #include "createControl.H"
     #include "createTimeControls.H"
     #include "createFields.H"
+    #include "createFieldRefs.H"
     #include "createFvOptions.H"
     #include "compressibleCourantNo.H"
     #include "setInitialDeltaT.H"

applications/solvers/lagrangian/reactingParcelFoam/YEqn.H

@@ -12,12 +12,11 @@ tmp<fv::convectionScheme<scalar>> mvConvection
 {
     combustion->correct();
     dQ = combustion->dQ();
-    label inertIndex = -1;
     volScalarField Yt(0.0*Y[0]);
 
     forAll(Y, i)
     {
-        if (Y[i].name() != inertSpecie)
+        if (i != inertIndex)
         {
             volScalarField& Yi = Y[i];
 
@@ -43,10 +42,6 @@ tmp<fv::convectionScheme<scalar>> mvConvection
             Yi.max(0.0);
             Yt += Yi;
         }
-        else
-        {
-            inertIndex = i;
-        }
     }
 
     Y[inertIndex] = scalar(1) - Yt;

applications/solvers/lagrangian/reactingParcelFoam/createFieldRefs.H

@@ -1,2 +1,3 @@
 const volScalarField& T = thermo.T();
 const volScalarField& psi = thermo.psi();
+const label inertIndex(composition.species()[inertSpecie]);

applications/solvers/lagrangian/reactingParcelFoam/createFields.H

@@ -16,13 +16,12 @@ basicSpecieMixture& composition = thermo.composition();
 PtrList<volScalarField>& Y = composition.Y();
 
 const word inertSpecie(thermo.lookup("inertSpecie"));
-
+if (!composition.species().found(inertSpecie))
-if (!composition.contains(inertSpecie))
 {
-    FatalErrorInFunction
+    FatalIOErrorIn(args.executable().c_str(), thermo)
-        << "Specified inert specie '" << inertSpecie << "' not found in "
+        << "Inert specie " << inertSpecie << " not found in available species "
-        << "species list. Available species:" << composition.species()
+        << composition.species()
-        << exit(FatalError);
+        << exit(FatalIOError);
 }
 
 volScalarField& p = thermo.p();

applications/solvers/lagrangian/reactingParcelFoam/simpleReactingParcelFoam/YEqn.H

@@ -12,12 +12,11 @@ tmp<fv::convectionScheme<scalar>> mvConvection
 {
     combustion->correct();
     dQ = combustion->dQ();
-    label inertIndex = -1;
     volScalarField Yt(0.0*Y[0]);
 
     forAll(Y, i)
     {
-        if (Y[i].name() != inertSpecie)
+        if (i != inertIndex)
         {
             volScalarField& Yi = Y[i];
 
@@ -42,10 +41,6 @@ tmp<fv::convectionScheme<scalar>> mvConvection
             Yi.max(0.0);
             Yt += Yi;
         }
-        else
-        {
-            inertIndex = i;
-        }
     }
 
     Y[inertIndex] = scalar(1) - Yt;

applications/solvers/lagrangian/reactingParcelFoam/simpleReactingParcelFoam/createFields.H

@@ -16,13 +16,12 @@ basicSpecieMixture& composition = thermo.composition();
 PtrList<volScalarField>& Y = composition.Y();
 
 const word inertSpecie(thermo.lookup("inertSpecie"));
-
+if (!composition.species().found(inertSpecie))
-if (!composition.contains(inertSpecie))
 {
-    FatalErrorInFunction
+    FatalIOErrorIn(args.executable().c_str(), thermo)
-        << "Specified inert specie '" << inertSpecie << "' not found in "
+        << "Inert specie " << inertSpecie << " not found in available species "
-        << "species list. Available species:" << composition.species()
+        << composition.species()
-        << exit(FatalError);
+        << exit(FatalIOError);
 }
 
 volScalarField& p = thermo.p();

applications/solvers/lagrangian/sprayFoam/createFields.H

@@ -16,13 +16,12 @@ basicSpecieMixture& composition = thermo.composition();
 PtrList<volScalarField>& Y = composition.Y();
 
 const word inertSpecie(thermo.lookup("inertSpecie"));
-
+if (!composition.species().found(inertSpecie))
-if (!composition.contains(inertSpecie))
 {
-    FatalErrorInFunction
+    FatalIOErrorIn(args.executable().c_str(), thermo)
-        << "Specified inert specie '" << inertSpecie << "' not found in "
+        << "Inert specie " << inertSpecie << " not found in available species "
-        << "species list. Available species:" << composition.species()
+        << composition.species()
-        << exit(FatalError);
+        << exit(FatalIOError);
 }
 
 volScalarField& p = thermo.p();

src/OpenFOAM/primitives/strings/lists/hashedWordList.H

@@ -103,6 +103,9 @@ public:
         //- Append an element at the end of the list
         void append(const word&);
 
+        //- Does the list contain the specified name
+        inline bool found(const word&) const;
+
         //- Does the list contain the specified name
         inline bool contains(const word&) const;
 

src/OpenFOAM/primitives/strings/lists/hashedWordListI.H

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2011-2016 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -25,6 +25,12 @@ License
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
+inline bool Foam::hashedWordList::found(const word& name) const
+{
+    return indices_.found(name);
+}
+
+
 inline bool Foam::hashedWordList::contains(const word& name) const
 {
     return indices_.found(name);