reactingMixture: use the foamChemistryReader directly rather than chemistryReader::New

This formalises the flexible and extensible OpenFOAM thermodynamics and reaction
format as the direct input to OpenFOAM solvers.  The CHEMKIN format is still
supported by first converting to the OpenFOAM format using the chemkinToFoam
utility.

applications/utilities/thermophysical/chemkinToFoam/Make/files

@@ -1,4 +1,5 @@
-
+chemkinReader/chemkinReader.C
+chemkinReader/chemkinLexer.L
 chemkinToFoam.C
 
 EXE = $(FOAM_APPBIN)/chemkinToFoam

applications/utilities/thermophysical/chemkinToFoam/Make/options

@@ -1,4 +1,5 @@
 EXE_INC = \
+    -IchemkinReader \
     -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude
 

applications/utilities/thermophysical/chemkinToFoam/chemkinReader/chemkinReader.C

@@ -43,14 +43,6 @@ License
 #include "addToRunTimeSelectionTable.H"
 
 
-/* * * * * * * * * * * * * * * * * Static data * * * * * * * * * * * * * * * */
-
-namespace Foam
-{
-    addChemistryReaderType(chemkinReader, gasHThermoPhysics);
-}
-
-
 /* * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * */
 
 const char* Foam::chemkinReader::reactionTypeNames[4] =

applications/utilities/thermophysical/chemkinToFoam/chemkinReader/chemkinReader.H

@@ -36,7 +36,6 @@ SourceFiles
 #ifndef chemkinReader_H
 #define chemkinReader_H
 
-#include "chemistryReader.H"
 #include "fileName.H"
 #include "typeInfo.H"
 #include "Switch.H"
@@ -45,6 +44,7 @@ SourceFiles
 #include "DynamicList.H"
 #include "labelList.H"
 #include "speciesTable.H"
+#include "specieElement.H"
 #include "atomicWeights.H"
 #include "reactionTypes.H"
 
@@ -55,13 +55,14 @@ SourceFiles
 namespace Foam
 {
 
+typedef HashTable<List<specieElement>> speciesCompositionTable;
+
 /*---------------------------------------------------------------------------*\
                        Class chemkinReader Declaration
 \*---------------------------------------------------------------------------*/
 
 class chemkinReader
 :
-    public chemistryReader<gasHThermoPhysics>,
     public yyFlexLexer
 {
 
@@ -290,10 +291,6 @@ private:
 
 public:
 
-    //- Runtime type information
-    TypeName("chemkinReader");
-
-
     // Constructors
 
         //- Construct from CHEMKIN III file name

src/thermophysicalModels/reactionThermo/Make/files

@@ -1,7 +1,3 @@
-chemistryReaders/chemkinReader/chemkinReader.C
-chemistryReaders/chemkinReader/chemkinLexer.L
-chemistryReaders/chemistryReader/makeChemistryReaders.C
-
 mixtures/basicMultiComponentMixture/basicMultiComponentMixture.C
 mixtures/basicSpecieMixture/basicSpecieMixture.C
 mixtures/basicCombustionMixture/basicCombustionMixture.C

src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/chemistryReader.C

@@ -1,67 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2011-2018 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "chemistryReader.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-template<class ThermoType>
-Foam::autoPtr<Foam::chemistryReader<ThermoType>>
-Foam::chemistryReader<ThermoType>::New
-(
-    const dictionary& thermoDict,
-    speciesTable& species
-)
-{
-    // Let the chemistry reader type default to CHEMKIN
-    // for backward compatibility
-    word chemistryReaderTypeName("chemkinReader");
-
-    // otherwise use the specified reader
-    thermoDict.readIfPresent("chemistryReader", chemistryReaderTypeName);
-
-    Info<< "Selecting chemistryReader " << chemistryReaderTypeName << endl;
-
-    typename dictionaryConstructorTable::iterator cstrIter =
-        dictionaryConstructorTablePtr_->find(chemistryReaderTypeName);
-
-    if (cstrIter == dictionaryConstructorTablePtr_->end())
-    {
-        FatalErrorInFunction
-            << "Unknown chemistryReader type "
-            << chemistryReaderTypeName << nl << nl
-            << "Valid chemistryReader types are:" << nl
-            << dictionaryConstructorTablePtr_->sortedToc()
-            << exit(FatalError);
-    }
-
-    return autoPtr<chemistryReader<ThermoType>>
-    (
-        cstrIter()(thermoDict, species)
-    );
-}
-
-
-// ************************************************************************* //

src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/chemistryReader.H

@@ -1,173 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2011-2019 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-Class
-    Foam::chemistryReader
-
-Description
-    Abstract class for reading chemistry
-
-SourceFiles
-    chemistryReader.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef chemistryReader_H
-#define chemistryReader_H
-
-#include "typeInfo.H"
-#include "specieElement.H"
-#include "Reaction.H"
-#include "ReactionList.H"
-#include "runTimeSelectionTables.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-typedef HashTable<List<specieElement>> speciesCompositionTable;
-
-
-/*---------------------------------------------------------------------------*\
-                      Class chemistryReader Declaration
-\*---------------------------------------------------------------------------*/
-
-template<class ThermoType>
-class chemistryReader
-{
-public:
-
-    //- Runtime type information
-    TypeName("chemistryReader");
-
-    //- The type of thermo package the reader was instantiated for
-    typedef ThermoType thermoType;
-
-
-    // Constructors
-
-        //- Construct null
-        chemistryReader()
-        {}
-
-        //- Disallow default bitwise copy construction
-        chemistryReader(const chemistryReader&) = delete;
-
-
-    // Declare run-time constructor selection table
-
-        declareRunTimeSelectionTable
-        (
-            autoPtr,
-            chemistryReader,
-            dictionary,
-            (
-                const dictionary& thermoDict,
-                speciesTable& species
-            ),
-            (thermoDict, species)
-        );
-
-
-    // Selectors
-
-        //- Select constructed from dictionary
-        static autoPtr<chemistryReader> New
-        (
-            const dictionary& thermoDict,
-            speciesTable& species
-        );
-
-
-    //- Destructor
-    virtual ~chemistryReader()
-    {}
-
-
-    // Member Functions
-
-        //- Return access to the list of species
-        virtual const speciesTable& species() const = 0;
-
-        //- Table of species composition
-        virtual const speciesCompositionTable& specieComposition() const = 0;
-
-        //- Return access to the thermo packages
-        virtual const HashPtrTable<ThermoType>& speciesThermo() const = 0;
-
-        //- Return access to the list of reactions
-        virtual const ReactionList<ThermoType>& reactions() const = 0;
-
-
-    // Member Operators
-
-        //- Disallow default bitwise assignment
-        void operator=(const chemistryReader&) = delete;
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#ifdef NoRepository
-    #include "chemistryReader.C"
-#endif
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-
-#define makeChemistryReader(Thermo)                                            \
-    defineTemplateTypeNameAndDebug(chemistryReader<Thermo>, 0);                \
-    defineTemplateRunTimeSelectionTable(chemistryReader<Thermo>, dictionary)
-
-
-#define makeChemistryReaderType(Reader, Thermo)                                \
-    defineNamedTemplateTypeNameAndDebug(Reader<Thermo>, 0);                    \
-    chemistryReader<Thermo>::adddictionaryConstructorToTable<Reader<Thermo>> \
-        add##Reader##Thermo##ConstructorToTable_
-
-
-// for non-templated chemistry readers
-#define addChemistryReaderType(Reader, Thermo)                                 \
-    defineTypeNameAndDebug(Reader, 0);                                         \
-    chemistryReader<Thermo>::adddictionaryConstructorToTable<Reader>           \
-        add##Reader##Thermo##ConstructorToTable_
-
-
-// for templated chemistry readers
-#define addTemplateChemistryReaderType(Reader, Thermo)                         \
-    defineNamedTemplateTypeNameAndDebug(Reader, 0);                            \
-    chemistryReader<Thermo>::adddictionaryConstructorToTable<Reader>           \
-        add##Reader##Thermo##ConstructorToTable_
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/makeChemistryReaders.C

@@ -1,104 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2011-2018 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "makeReactionThermo.H"
-#include "thermoPhysicsTypes.H"
-#include "solidThermoPhysicsTypes.H"
-
-#include "chemistryReader.H"
-#include "foamChemistryReader.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-// Solid chemistry readers based on sensibleEnthalpy
-
-makeChemistryReader(constGasHThermoPhysics);
-makeChemistryReader(gasHThermoPhysics);
-makeChemistryReader(constIncompressibleGasHThermoPhysics);
-makeChemistryReader(incompressibleGasHThermoPhysics);
-makeChemistryReader(icoPoly8HThermoPhysics);
-makeChemistryReader(constFluidHThermoPhysics);
-makeChemistryReader(constAdiabaticFluidHThermoPhysics);
-makeChemistryReader(constHThermoPhysics);
-
-makeChemistryReaderType(foamChemistryReader, constGasHThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, gasHThermoPhysics);
-makeChemistryReaderType
-(
-    foamChemistryReader,
-    constIncompressibleGasHThermoPhysics
-);
-makeChemistryReaderType(foamChemistryReader, incompressibleGasHThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, icoPoly8HThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, constFluidHThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, constAdiabaticFluidHThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, constHThermoPhysics);
-
-
-// Solid chemistry readers based on sensibleInternalEnergy
-
-makeChemistryReader(constGasEThermoPhysics);
-makeChemistryReader(gasEThermoPhysics);
-makeChemistryReader(constIncompressibleGasEThermoPhysics);
-makeChemistryReader(incompressibleGasEThermoPhysics);
-makeChemistryReader(icoPoly8EThermoPhysics);
-makeChemistryReader(constFluidEThermoPhysics);
-makeChemistryReader(constAdiabaticFluidEThermoPhysics);
-makeChemistryReader(constEThermoPhysics);
-
-makeChemistryReaderType(foamChemistryReader, constGasEThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, gasEThermoPhysics);
-makeChemistryReaderType
-(
-    foamChemistryReader,
-    constIncompressibleGasEThermoPhysics
-);
-makeChemistryReaderType(foamChemistryReader, incompressibleGasEThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, icoPoly8EThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, constFluidEThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, constAdiabaticFluidEThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, constEThermoPhysics);
-
-
-// Solid chemistry readers for solids based on sensibleInternalEnergy
-
-makeChemistryReader(hConstSolidThermoPhysics);
-makeChemistryReader(hPowerSolidThermoPhysics);
-makeChemistryReader(hExpKappaConstSolidThermoPhysics);
-
-makeChemistryReaderType(foamChemistryReader, hConstSolidThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, hPowerSolidThermoPhysics);
-makeChemistryReaderType(foamChemistryReader, hExpKappaConstSolidThermoPhysics);
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //

src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/foamChemistryReader/foamChemistryReader.C

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2011-2018 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2011-2019 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -131,7 +131,6 @@ Foam::foamChemistryReader<ThermoType>::foamChemistryReader
     const fileName& thermoFileName
 )
 :
-    chemistryReader<ThermoType>(),
     chemDict_
     (
         IFstream
@@ -161,7 +160,6 @@ Foam::foamChemistryReader<ThermoType>::foamChemistryReader
     speciesTable& species
 )
 :
-    chemistryReader<ThermoType>(),
     chemDict_
     (
         IFstream

src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/foamChemistryReader/foamChemistryReader.H

@@ -35,27 +35,22 @@ SourceFiles
 #ifndef foamChemistryReader_H
 #define foamChemistryReader_H
 
-#include "chemistryReader.H"
+#include "specieElement.H"
-#include "fileName.H"
+#include "ReactionList.H"
-#include "typeInfo.H"
-#include "HashPtrTable.H"
-#include "labelList.H"
-#include "speciesTable.H"
-#include "atomicWeights.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
 {
 
+typedef HashTable<List<specieElement>> speciesCompositionTable;
+
 /*---------------------------------------------------------------------------*\
                        Class foamChemistry Declaration
 \*---------------------------------------------------------------------------*/
 
 template<class ThermoType>
 class foamChemistryReader
-:
-    public chemistryReader<ThermoType>
 {
         //- Chemistry/reactions dictionary
         dictionary chemDict_;
@@ -93,10 +88,6 @@ class foamChemistryReader
 
 public:
 
-    //- Runtime type information
-    TypeName("foamChemistryReader");
-
-
     // Constructors
 
         //- Construct from foamChemistry and thermodynamics file names

src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.C

@@ -37,28 +37,29 @@ Foam::reactingMixture<ThermoType>::reactingMixture
 )
 :
     speciesTable(),
-    autoPtr<chemistryReader<ThermoType>>
+    autoPtr<foamChemistryReader<ThermoType>>
     (
-        chemistryReader<ThermoType>::New(thermoDict, *this)
+        new foamChemistryReader<ThermoType>(thermoDict, *this)
     ),
     multiComponentMixture<ThermoType>
     (
         thermoDict,
         *this,
-        autoPtr<chemistryReader<ThermoType>>::operator()().speciesThermo(),
+        autoPtr<foamChemistryReader<ThermoType>>::operator()().speciesThermo(),
         mesh,
         phaseName
     ),
     reactions_
     (
-        autoPtr<chemistryReader<ThermoType>>::operator()().reactions()
+        autoPtr<foamChemistryReader<ThermoType>>::operator()().reactions()
     ),
     speciesComposition_
     (
-        autoPtr<chemistryReader<ThermoType>>::operator()().specieComposition()
+        autoPtr<foamChemistryReader<ThermoType>>::
+        operator()().specieComposition()
     )
 {
-    autoPtr<chemistryReader<ThermoType>>::clear();
+    autoPtr<foamChemistryReader<ThermoType>>::clear();
 }
 
 

src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.H

@@ -36,7 +36,7 @@ SourceFiles
 #define reactingMixture_H
 
 #include "speciesTable.H"
-#include "chemistryReader.H"
+#include "foamChemistryReader.H"
 #include "multiComponentMixture.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -52,7 +52,7 @@ template<class ThermoType>
 class reactingMixture
 :
     public speciesTable,
-    public autoPtr<chemistryReader<ThermoType>>,
+    public autoPtr<foamChemistryReader<ThermoType>>,
     public multiComponentMixture<ThermoType>
 {
     // Private member data

tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 foamChemistryThermoFile "$FOAM_CASE/constant/thermo";
 

tutorials/combustion/chemFoam/h2/Allclean

@@ -6,7 +6,7 @@ cd ${0%/*} || exit 1    # Run from this directory
 
 cleanCase
 
-rm -rf 0 chemFoam.out validation/OF_vs_CHEMKINII.eps validation/chemkinII
+rm -rf 0 chemFoam.out constant/reactions constant/thermo \
+   validation/OF_vs_CHEMKINII.eps validation/chemkinII
 
 #------------------------------------------------------------------------------
-

tutorials/combustion/chemFoam/h2/Allrun

@@ -7,6 +7,10 @@ cd ${0%/*} || exit 1    # Run from this directory
 # Set application name
 application=$(getApplication)
 
+runApplication chemkinToFoam \
+               chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \
+               constant/reactions constant/thermo
+
 runApplication $application
 
 (cd validation && ./Allrun $*)

tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties

@@ -26,8 +26,7 @@ thermoType
     specie          specie;
 }
 
-CHEMKINFile     "$FOAM_CASE/chemkin/chem.inp";
+foamChemistryFile "$FOAM_CASE/constant/reactions";
-CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
+foamChemistryThermoFile "$FOAM_CASE/constant/thermo";
-CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
 
 // ************************************************************************* //

tutorials/combustion/chemFoam/ic8h18/Allclean

@@ -6,7 +6,7 @@ cd ${0%/*} || exit 1    # Run from this directory
 
 cleanCase
 
-rm -rf 0 chemFoam.out validation/OF_vs_CHEMKINII.eps validation/chemkinII
+rm -rf 0 chemFoam.out constant/reactions constant/thermo \
+   validation/OF_vs_CHEMKINII.eps validation/chemkinII
 
 #------------------------------------------------------------------------------
-

tutorials/combustion/chemFoam/ic8h18/Allrun

@@ -7,6 +7,10 @@ cd ${0%/*} || exit 1    # Run from this directory
 # Set application name
 application=$(getApplication)
 
+runApplication chemkinToFoam \
+               chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \
+               constant/reactions constant/thermo
+
 runApplication $application
 
 (cd validation && ./Allrun $*)

tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties

@@ -26,8 +26,7 @@ thermoType
     specie          specie;
 }
 
-CHEMKINFile     "$FOAM_CASE/chemkin/chem.inp";
+foamChemistryFile "$FOAM_CASE/constant/reactions";
-CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
+foamChemistryThermoFile "$FOAM_CASE/constant/thermo";
-CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
 
 // ************************************************************************* //

tutorials/combustion/chemFoam/ic8h18_TDAC/Allclean

@@ -6,6 +6,7 @@ cd ${0%/*} || exit 1    # Run from this directory
 
 cleanCase
 
-rm -rf 0 chemFoam.out validation/OF_vs_CHEMKINII.eps validation/chemkinII
+rm -rf 0 chemFoam.out constant/reactions constant/thermo \
+   validation/OF_vs_CHEMKINII.eps validation/chemkinII
 
 #------------------------------------------------------------------------------

tutorials/combustion/chemFoam/ic8h18_TDAC/Allrun

@@ -7,6 +7,10 @@ cd ${0%/*} || exit 1    # Run from this directory
 # Set application name
 application=$(getApplication)
 
+runApplication chemkinToFoam \
+               chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \
+               constant/reactions constant/thermo
+
 runApplication $application
 
 (cd validation && ./Allrun $*)

tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties

@@ -26,8 +26,7 @@ thermoType
     specie          specie;
 }
 
-CHEMKINFile     "$FOAM_CASE/chemkin/chem.inp";
+foamChemistryFile "$FOAM_CASE/constant/reactions";
-CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
+foamChemistryThermoFile "$FOAM_CASE/constant/thermo";
-CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
 
 // ************************************************************************* //

tutorials/combustion/chemFoam/nc7h16/Allclean

@@ -6,7 +6,7 @@ cd ${0%/*} || exit 1    # Run from this directory
 
 cleanCase
 
-rm -rf 0 chemFoam.out validation/OF_vs_CHEMKINII.eps validation/chemkinII
+rm -rf 0 chemFoam.out constant/reactions constant/thermo \
+   validation/OF_vs_CHEMKINII.eps validation/chemkinII
 
 #------------------------------------------------------------------------------
-

tutorials/combustion/chemFoam/nc7h16/Allrun

@@ -7,6 +7,10 @@ cd ${0%/*} || exit 1    # Run from this directory
 # Set application name
 application=$(getApplication)
 
+runApplication chemkinToFoam \
+               chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \
+               constant/reactions constant/thermo
+
 runApplication $application
 
 (cd validation && ./Allrun $*)

tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties

@@ -26,8 +26,7 @@ thermoType
     specie          specie;
 }
 
-CHEMKINFile     "$FOAM_CASE/chemkin/chem.inp";
+foamChemistryFile "$FOAM_CASE/constant/reactions";
-CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
+foamChemistryThermoFile "$FOAM_CASE/constant/thermo";
-CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
 
 // ************************************************************************* //

tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie air;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/include/reactions.air";
 

tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
 }
 
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/pyrolysisRegion/reactions";
 

tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermophysicalProperties

@@ -30,7 +30,6 @@ inertSpecie N2;
 
 fuel    C3H8;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
 }
 
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/panelRegion/reactions";
 

tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermophysicalProperties

@@ -30,7 +30,6 @@ inertSpecie N2;
 
 fuel        C3H8;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties

@@ -30,7 +30,6 @@ inertSpecie N2;
 
 fuel        CH4;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties

@@ -30,7 +30,6 @@ inertSpecie N2;
 
 fuel        CH4;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties

@@ -29,7 +29,6 @@ thermoType
 
 inertSpecie N2;
 
-chemistryReader foamChemistryReader;
 foamChemistryFile "$FOAM_CASE/constant/reactionsGRI";
 foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI";
 

tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie N2;
 
-chemistryReader foamChemistryReader;
 foamChemistryFile "$FOAM_CASE/constant/reactionsGRI";
 foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI";
 

tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie N2;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie N2;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie N2;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie N2;
 
-chemistryReader foamChemistryReader;
 foamChemistryFile "$FOAM_CASE/constant/reactionsGRI";
 foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI";
 

tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie N2;
 
-chemistryReader foamChemistryReader;
 foamChemistryFile "$FOAM_CASE/constant/reactionsGRI";
 foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI";
 

tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie N2;
 
-chemistryReader foamChemistryReader;
 foamChemistryFile "$FOAM_CASE/constant/reactionsGRI";
 foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI";
 

tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie N2;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/gas/reactions";
 

tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 
 foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat";
 

tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie N2;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/lagrangian/reactingParcelFoam/cylinder/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/foam.inp";
 

tutorials/lagrangian/reactingParcelFoam/filter/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/foam.inp";
 

tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/foam.inp";
 

tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/foam.inp";
 

tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermophysicalProperties

@@ -26,7 +26,6 @@ thermoType
     specie          specie;
 }
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions";
 

tutorials/lagrangian/sprayFoam/aachenBomb/Allclean

@@ -0,0 +1,11 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+
+# Source tutorial run functions
+. $WM_PROJECT_DIR/bin/tools/CleanFunctions
+
+cleanCase
+
+rm -rf constant/reactions constant/thermo
+
+#------------------------------------------------------------------------------

tutorials/lagrangian/sprayFoam/aachenBomb/Allrun

@@ -0,0 +1,17 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+
+# Source tutorial run functions
+. $WM_PROJECT_DIR/bin/tools/RunFunctions
+
+# Set application name
+application=$(getApplication)
+
+runApplication chemkinToFoam \
+               chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \
+               constant/reactions constant/thermo
+
+runApplication blockMesh
+runApplication $application
+
+#------------------------------------------------------------------------------

tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties

@@ -26,9 +26,8 @@ thermoType
     specie          specie;
 }
 
-CHEMKINFile     "$FOAM_CASE/chemkin/chem.inp";
+foamChemistryFile "$FOAM_CASE/constant/reactions";
-CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
+foamChemistryThermoFile "$FOAM_CASE/constant/thermo";
-CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
 
 newFormat       yes;
 

tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas

@@ -28,7 +28,6 @@ thermoType
 
 inertSpecie AIR;
 
-chemistryReader foamChemistryReader;
 
 foamChemistryFile "$FOAM_CASE/constant/reactions.gas";