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chemistryTabulationMethods: Untemplated to simply the code and reduce compilation time

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With the changes to chemistryModel to evaluate and integrate reaction rates
mass-fraction based rather than mole-fraction based ISAT is now independent of
the thermodynamics and with some restructuring of chemistryModel and the
addition of the non-templated base-class odeChemistryModel is has been possible
to un-template chemistryTabulationMethods and ISAT in particular.  This
simplifies the ISAT code and hence maintenance as well as reducing the
compilation time of chemistryModel on the various thermo packages.
This commit is contained in:
Henry Weller
2022-01-19 18:31:58 +00:00
parent 66f325fc41
commit b139515cf7
25 changed files with 524 additions and 636 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
etc/codeTemplates/dynamicCode/basicChemistryModelTemplate.C
View File

@ -91,12 +91,10 @@ namespace Foam
#if ${method}CppTest == chemistryModelCppTest
#include "makeChemistryReductionMethod.H"
#include "makeChemistryTabulationMethod.H"
namespace Foam
{
defineChemistryReductionMethod(nullArg, ThermoPhysics);
defineChemistryTabulationMethod(nullArg, ThermoPhysics);
}
#include "noChemistryReduction.H"
@ -116,14 +114,6 @@ namespace Foam
makeChemistryReductionMethod(PFA, ThermoPhysics);
}
#include "noChemistryTabulation.H"
#include "ISAT.H"
namespace Foam
{
makeChemistryTabulationMethod(none, ThermoPhysics);
makeChemistryTabulationMethod(ISAT, ThermoPhysics);
}
#endif

12
src/thermophysicalModels/chemistryModel/Make/files
View File

@ -6,6 +6,8 @@ chemistrySolver/noChemistrySolver/noChemistrySolvers.C
chemistrySolver/EulerImplicit/EulerImplicitChemistrySolvers.C
chemistrySolver/ode/odeChemistrySolvers.C
odeChemistryModel/odeChemistryModel.C
chemistryModel/reduction/chemistryReductionMethod/chemistryReductionMethods.C
chemistryModel/reduction/noChemistryReduction/noChemistryReductionMethods.C
chemistryModel/reduction/DAC/DACChemistryReductionMethods.C
@ -14,9 +16,13 @@ chemistryModel/reduction/DRGEP/DRGEPChemistryReductionMethods.C
chemistryModel/reduction/EFA/EFAChemistryReductionMethods.C
chemistryModel/reduction/PFA/PFAChemistryReductionMethods.C
chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethods.C
chemistryModel/tabulation/noChemistryTabulation/noChemistryTabulationMethods.C
chemistryModel/tabulation/ISAT/ISATChemistryTabulationMethods.C
chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.C
chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethodNew.C
chemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.C
chemistryModel/tabulation/ISAT/ISAT.C
chemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C
chemistryModel/tabulation/ISAT/binaryNode/binaryNode.C
chemistryModel/tabulation/ISAT/binaryTree/binaryTree.C
reactions/makeReactions.C

37
src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel.C
View File

@ -36,8 +36,7 @@ Foam::chemistryModel<ThermoType>::chemistryModel
const fluidReactionThermo& thermo
)
:
basicChemistryModel(thermo),
ODESystem(),
odeChemistryModel(thermo),
log_(this->lookupOrDefault("log", false)),
loadBalancing_(this->lookupOrDefault("loadBalancing", false)),
jacobianType_
@ -46,18 +45,14 @@ Foam::chemistryModel<ThermoType>::chemistryModel
? jacobianTypeNames_.read(this->lookup("jacobian"))
: jacobianType::fast
),
Yvf_(this->thermo().composition().Y()),
mixture_(refCast<const multiComponentMixture<ThermoType>>(this->thermo())),
specieThermos_(mixture_.specieThermos()),
reactions_(mixture_.species(), specieThermos_, this->mesh(), *this),
nSpecie_(Yvf_.size()),
RR_(nSpecie_),
Y_(nSpecie_),
c_(nSpecie_),
YTpWork_(scalarField(nSpecie_ + 2)),
YTpYTpWork_(scalarSquareMatrix(nSpecie_ + 2)),
cTos_(nSpecie_, -1),
sToc_(nSpecie_),
mechRedPtr_
(
chemistryReductionMethod<ThermoType>::New
@ -67,15 +62,7 @@ Foam::chemistryModel<ThermoType>::chemistryModel
)
),
mechRed_(*mechRedPtr_),
mechRedActive_(mechRed_.active()),
tabulationPtr_
(
chemistryTabulationMethod<ThermoType>::New
(
*this,
*this
)
),
tabulationPtr_(chemistryTabulationMethod::New(*this, *this)),
tabulation_(*tabulationPtr_)
{
// Create the fields for the chemistry sources
@ -105,7 +92,7 @@ Foam::chemistryModel<ThermoType>::chemistryModel
// When the mechanism reduction method is used, the 'active' flag for every
// species should be initialised (by default 'active' is true)
if (mechRedActive_)
if (reduction_)
{
const basicSpecieMixture& composition = this->thermo().composition();
@ -153,7 +140,7 @@ void Foam::chemistryModel<ThermoType>::derivatives
scalarField& dYTpdt
) const
{
if (mechRedActive_)
if (reduction_)
{
forAll(sToc_, i)
{
@ -198,7 +185,7 @@ void Foam::chemistryModel<ThermoType>::derivatives
c_,
li,
dYTpdt,
mechRedActive_,
reduction_,
cTos_,
0
);
@ -246,7 +233,7 @@ void Foam::chemistryModel<ThermoType>::jacobian
scalarSquareMatrix& J
) const
{
if (mechRedActive_)
if (reduction_)
{
forAll(sToc_, i)
{
@ -334,7 +321,7 @@ void Foam::chemistryModel<ThermoType>::jacobian
li,
dYTpdt,
ddNdtByVdcTp,
mechRedActive_,
reduction_,
cTos_,
0,
nSpecie_,
@ -688,7 +675,7 @@ void Foam::chemistryModel<ThermoType>::calculate()
c_,
celli,
dNdtByV,
mechRedActive_,
reduction_,
cTos_,
0
);
@ -796,7 +783,7 @@ Foam::scalar Foam::chemistryModel<ThermoType>::solve
// (it will either expand the current data or add a new stored point).
else
{
if (mechRedActive_)
if (reduction_)
{
// Compute concentrations
for (label i=0; i<nSpecie_; i++)
@ -825,7 +812,7 @@ Foam::scalar Foam::chemistryModel<ThermoType>::solve
while (timeLeft > small)
{
scalar dt = timeLeft;
if (mechRedActive_)
if (reduction_)
{
// Solve the reduced set of ODE
solve
@ -880,7 +867,7 @@ Foam::scalar Foam::chemistryModel<ThermoType>::solve
// When operations are done and if mechanism reduction is active,
// the number of species (which also affects nEqns) is set back
// to the total number of species (stored in the mechRed object)
if (mechRedActive_)
if (reduction_)
{
setNSpecie(mechRed_.nSpecie());
}
@ -911,7 +898,7 @@ Foam::scalar Foam::chemistryModel<ThermoType>::solve
mechRed_.update();
tabulation_.update();
if (mechRedActive_ && Pstream::parRun())
if (reduction_ && Pstream::parRun())
{
List<bool> active(composition.active());
Pstream::listCombineGather(active, orEqOp<bool>());

53
src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel.H
View File

@ -66,7 +66,7 @@ SourceFiles
#ifndef chemistryModel_H
#define chemistryModel_H
#include "basicChemistryModel.H"
#include "odeChemistryModel.H"
#include "ReactionList.H"
#include "ODESystem.H"
#include "volFields.H"
@ -74,7 +74,6 @@ SourceFiles
#include "chemistryReductionMethod.H"
#include "chemistryTabulationMethod.H"
#include "DynamicField.H"
#include "OFstream.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -88,8 +87,7 @@ namespace Foam
template<class ThermoType>
class chemistryModel
:
public basicChemistryModel,
public ODESystem
public odeChemistryModel
{
// Private classes
@ -136,9 +134,6 @@ class chemistryModel
//- Type of the Jacobian to be calculated
const jacobianType jacobianType_;
//- Reference to the field of specie mass fractions
const PtrList<volScalarField>& Yvf_;
//- Reference to the multi component mixture
const multiComponentMixture<ThermoType>& mixture_;
@ -148,9 +143,6 @@ class chemistryModel
//- Reactions
const ReactionList<ThermoType> reactions_;
//- Number of species
label nSpecie_;
//- List of reaction rate per specie [kg/m^3/s]
PtrList<volScalarField::Internal> RR_;
@ -172,27 +164,17 @@ class chemistryModel
//- Specie-temperature-pressure workspace matrices
mutable FixedList<scalarSquareMatrix, 2> YTpYTpWork_;
//- Temporary map from complete to simplified concentration fields
// c -> sc
List<label> cTos_;
//- Temporary map from simplified to complete concentration fields
// sc -> c
DynamicList<label> sToc_;
//- Mechanism reduction method
autoPtr<chemistryReductionMethod<ThermoType>> mechRedPtr_;
//- Mechanism reduction method reference
chemistryReductionMethod<ThermoType>& mechRed_;
bool mechRedActive_;
//- Tabulation method
autoPtr<chemistryTabulationMethod<ThermoType>> tabulationPtr_;
autoPtr<chemistryTabulationMethod> tabulationPtr_;
//- Tabulation method reference
chemistryTabulationMethod<ThermoType>& tabulation_;
chemistryTabulationMethod& tabulation_;
//- Log file for average time spent solving the chemistry
autoPtr<OFstream> cpuSolveFile_;
@ -232,9 +214,6 @@ public:
// Member Functions
//- Create and return a TDAC log file of the given name
inline autoPtr<OFstream> logFile(const word& name) const;
//- Return reference to the mixture
inline const multiComponentMixture<ThermoType>& mixture() const;
@ -244,9 +223,6 @@ public:
//- Thermodynamic data of the species
inline const PtrList<ThermoType>& specieThermos() const;
//- The number of species
virtual inline label nSpecie() const;
//- The number of reactions
virtual inline label nReaction() const;
@ -293,9 +269,6 @@ public:
// ODE functions (overriding abstract functions in ODE.H)
//- Number of ODE's to solve
inline virtual label nEqns() const;
virtual void derivatives
(
const scalar t,
@ -324,32 +297,14 @@ public:
) const = 0;
//- Return a reference to the list of mass fraction fields
inline const PtrList<volScalarField>& Y() const;
// Mechanism reduction access functions
//- Return true if mechanism reduction is active
inline bool reduction() const;
//- Allow the reduction method to reset the number of species
inline void setNSpecie(const label newNs);
//- Return true if specie i is active
inline bool active(const label i) const;
//- Set specie i active
inline void setActive(const label i);
//- Return the index in the complete set of species
// corresponding to the index si in the simplified set of species
inline label sToc(const label si) const;
//- Return the index in the simplified set of species
// corresponding to the index si in the complete set of species
inline label cTos(const label ci) const;
// Member Operators

88
src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModelI.H
View File

@ -23,32 +23,8 @@ License
\*---------------------------------------------------------------------------*/
#include "OSspecific.H"
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
inline Foam::autoPtr<Foam::OFstream>
Foam::chemistryModel<ThermoType>::logFile(const word& name) const
{
mkDir(this->mesh().time().path()/"TDAC"/this->group());
return autoPtr<OFstream>
(
new OFstream
(
this->mesh().time().path()/"TDAC"/this->group()/name
)
);
}
template<class ThermoType>
inline Foam::label Foam::chemistryModel<ThermoType>::nEqns() const
{
// nEqns = number of species + temperature + pressure
return nSpecie_ + 2;
}
template<class ThermoType>
inline Foam::PtrList<Foam::DimensionedField<Foam::scalar, Foam::volMesh>>&
Foam::chemistryModel<ThermoType>::RR()
@ -81,13 +57,6 @@ Foam::chemistryModel<ThermoType>::specieThermos() const
}
template<class ThermoType>
inline Foam::label Foam::chemistryModel<ThermoType>::nSpecie() const
{
return nSpecie_;
}
template<class ThermoType>
inline Foam::label Foam::chemistryModel<ThermoType>::nReaction() const
{
@ -102,6 +71,7 @@ Foam::chemistryModel<ThermoType>::RR(const label i) const
return RR_[i];
}
template<class ThermoType>
Foam::DimensionedField<Foam::scalar, Foam::volMesh>&
Foam::chemistryModel<ThermoType>::RR(const label i)
@ -110,21 +80,6 @@ Foam::chemistryModel<ThermoType>::RR(const label i)
}
template<class ThermoType>
inline const Foam::PtrList<Foam::volScalarField>&
Foam::chemistryModel<ThermoType>::Y() const
{
return this->Yvf_;
}
template<class ThermoType>
inline bool Foam::chemistryModel<ThermoType>::reduction() const
{
return mechRedActive_;
}
template<class ThermoType>
inline void Foam::chemistryModel<ThermoType>::setActive(const label i)
{
@ -139,45 +94,4 @@ inline bool Foam::chemistryModel<ThermoType>::active(const label i) const
}
template<class ThermoType>
inline void Foam::chemistryModel<ThermoType>::setNSpecie(const label newNs)
{
this->nSpecie_ = newNs;
}
template<class ThermoType>
inline Foam::label Foam::chemistryModel<ThermoType>::sToc
(
const label si
) const
{
if (mechRedActive_)
{
return sToc_[si];
}
else
{
return si;
}
}
template<class ThermoType>
inline Foam::label Foam::chemistryModel<ThermoType>::cTos
(
const label ci
) const
{
if (mechRedActive_)
{
return cTos_[ci];
}
else
{
return ci;
}
}
// ************************************************************************* //

8
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/chemistryReductionMethod/chemistryReductionMethodNew.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2022 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -86,10 +86,14 @@ Foam::chemistryReductionMethod<ThermoType>::New
<< exit(FatalError);
}
return autoPtr<chemistryReductionMethod<ThermoType>>
autoPtr<chemistryReductionMethod<ThermoType>> crmPtr
(
cstrIter()(dict, chemistry)
);
chemistry.reduction_ = crmPtr->active();
return crmPtr;
}
else
{

80
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/ISAT.C
View File

@ -24,18 +24,32 @@ License
\*---------------------------------------------------------------------------*/
#include "ISAT.H"
#include "odeChemistryModel.H"
#include "LUscalarMatrix.H"
#include "addToRunTimeSelectionTable.H"
/* * * * * * * * * * * * * * * Static Member Data * * * * * * * * * * * * * */
namespace Foam
{
namespace chemistryTabulationMethods
{
defineTypeNameAndDebug(ISAT, 0);
addToRunTimeSelectionTable(chemistryTabulationMethod, ISAT, dictionary);
}
}
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::chemistryTabulationMethods::ISAT<ThermoType>::ISAT
Foam::chemistryTabulationMethods::ISAT::ISAT
(
const dictionary& chemistryProperties,
const chemistryModel<ThermoType>& chemistry
const odeChemistryModel& chemistry
)
:
chemistryTabulationMethod<ThermoType>
chemistryTabulationMethod
(
chemistryProperties,
chemistry
@ -135,24 +149,22 @@ Foam::chemistryTabulationMethods::ISAT<ThermoType>::ISAT
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::chemistryTabulationMethods::ISAT<ThermoType>::~ISAT()
Foam::chemistryTabulationMethods::ISAT::~ISAT()
{}
// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * //
template<class ThermoType>
void Foam::chemistryTabulationMethods::ISAT<ThermoType>::addToMRU
void Foam::chemistryTabulationMethods::ISAT::addToMRU
(
chemPointISAT<ThermoType>* phi0
chemPointISAT* phi0
)
{
if (maxMRUSize_ > 0 && MRURetrieve_)
{
// First search if the chemPoint is already in the list
bool isInList = false;
typename SLList <chemPointISAT<ThermoType>*>::iterator iter =
typename SLList <chemPointISAT*>::iterator iter =
MRUList_.begin();
for ( ; iter != MRUList_.end(); ++iter)
{
@ -190,10 +202,9 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::addToMRU
}
template<class ThermoType>
void Foam::chemistryTabulationMethods::ISAT<ThermoType>::calcNewC
void Foam::chemistryTabulationMethods::ISAT::calcNewC
(
chemPointISAT<ThermoType>* phi0,
chemPointISAT* phi0,
const scalarField& phiq,
scalarField& Rphiq
)
@ -258,10 +269,9 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::calcNewC
}
template<class ThermoType>
bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::grow
bool Foam::chemistryTabulationMethods::ISAT::grow
(
chemPointISAT<ThermoType>* phi0,
chemPointISAT* phi0,
const scalarField& phiq,
const scalarField& Rphiq
)
@ -296,18 +306,16 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::grow
}
template<class ThermoType>
bool
Foam::chemistryTabulationMethods::ISAT<ThermoType>::cleanAndBalance()
bool Foam::chemistryTabulationMethods::ISAT::cleanAndBalance()
{
bool treeModified(false);
// Check all chemPoints to see if we need to delete some of the chemPoints
// according to the elapsed time and number of growths
chemPointISAT<ThermoType>* x = chemisTree_.treeMin();
chemPointISAT* x = chemisTree_.treeMin();
while(x != nullptr)
{
chemPointISAT<ThermoType>* xtmp = chemisTree_.treeSuccessor(x);
chemPointISAT* xtmp = chemisTree_.treeSuccessor(x);
const scalar elapsedTimeSteps = timeSteps() - x->timeTag();
@ -341,8 +349,7 @@ Foam::chemistryTabulationMethods::ISAT<ThermoType>::cleanAndBalance()
}
template<class ThermoType>
void Foam::chemistryTabulationMethods::ISAT<ThermoType>::computeA
void Foam::chemistryTabulationMethods::ISAT::computeA
(
scalarSquareMatrix& A,
const scalarField& Rphiq,
@ -400,8 +407,7 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::computeA
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
bool Foam::chemistryTabulationMethods::ISAT::retrieve
(
const Foam::scalarField& phiq,
scalarField& Rphiq
@ -413,7 +419,7 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
}
bool retrieved(false);
chemPointISAT<ThermoType>* phi0;
chemPointISAT* phi0;
// If the tree is not empty
if (chemisTree_.size())
@ -437,7 +443,7 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
{
typename SLList
<
chemPointISAT<ThermoType>*
chemPointISAT*
>::iterator iter = MRUList_.begin();
for ( ; iter != MRUList_.end(); ++iter)
@ -485,8 +491,7 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
}
template<class ThermoType>
Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
Foam::label Foam::chemistryTabulationMethods::ISAT::add
(
const scalarField& phiq,
const scalarField& Rphiq,
@ -534,20 +539,20 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
// It can be partially rebuild with the MRU list if this is used.
if (!cleanAndBalance())
{
DynamicList<chemPointISAT<ThermoType>*> tempList;
DynamicList<chemPointISAT*> tempList;
if (maxMRUSize_>0)
{
// Create a copy of each chemPointISAT of the MRUList_ before
// they are deleted
typename SLList
<
chemPointISAT<ThermoType>*
chemPointISAT*
>::iterator iter = MRUList_.begin();
for ( ; iter != MRUList_.end(); ++iter)
{
tempList.append
(
new chemPointISAT<ThermoType>(*iter())
new chemPointISAT(*iter())
);
}
}
@ -558,7 +563,7 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
// Construct the tree without giving a reference to attach to it
// since the structure has been completely discarded
chemPointISAT<ThermoType>* nulPhi = 0;
chemPointISAT* nulPhi = 0;
forAll(tempList, i)
{
chemisTree().insertNewLeaf
@ -614,8 +619,7 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
}
template<class ThermoType>
void Foam::chemistryTabulationMethods::ISAT<ThermoType>::writePerformance()
void Foam::chemistryTabulationMethods::ISAT::writePerformance()
{
if (log_)
{
@ -653,8 +657,7 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::writePerformance()
}
template<class ThermoType>
void Foam::chemistryTabulationMethods::ISAT<ThermoType>::reset()
void Foam::chemistryTabulationMethods::ISAT::reset()
{
// Increment counter of time-step
timeSteps_++;
@ -666,8 +669,7 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::reset()
}
template<class ThermoType>
bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::update()
bool Foam::chemistryTabulationMethods::ISAT::update()
{
bool updated = cleanAndBalance();
writePerformance();

33
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/ISAT.H
View File

@ -41,7 +41,11 @@ Description
#ifndef ISAT_H
#define ISAT_H
#include "chemistryTabulationMethod.H"
#include "binaryTree.H"
#include "volFields.H"
#include "OFstream.H"
#include "cpuTime.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -54,16 +58,15 @@ namespace chemistryTabulationMethods
Class ISAT Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class ISAT
:
public chemistryTabulationMethod<ThermoType>
public chemistryTabulationMethod
{
// Private Data
const dictionary coeffsDict_;
const chemistryModel<ThermoType>& chemistry_;
const odeChemistryModel& chemistry_;
//- Switch to select performance logging
Switch log_;
@ -72,7 +75,7 @@ class ISAT
const bool reduction_;
//- List of the stored 'points' organised in a binary tree
binaryTree<ThermoType> chemisTree_;
binaryTree chemisTree_;
//- List of scale factors for species, temperature and pressure
scalarField scaleFactor_;
@ -101,13 +104,13 @@ class ISAT
Switch MRURetrieve_;
//- Most Recently Used (MRU) list of chemPoint
SLList<chemPointISAT<ThermoType>*> MRUList_;
SLList<chemPointISAT*> MRUList_;
//- Maximum size of the MRU list
label maxMRUSize_;
//- Store a pointer to the last chemPointISAT found
chemPointISAT<ThermoType>* lastSearch_;
chemPointISAT* lastSearch_;
//- Switch to allow growth (on by default)
Switch growPoints_;
@ -150,7 +153,7 @@ class ISAT
// Private Member Functions
//- Add a chemPoint to the MRU list
void addToMRU(chemPointISAT<ThermoType>* phi0);
void addToMRU(chemPointISAT* phi0);
//- Compute and return the mapping of the composition phiq
// Input : phi0 the nearest chemPoint used in the linear interpolation
@ -161,7 +164,7 @@ class ISAT
// Rphiq = Rphi0 + A * (phiq-phi0)
void calcNewC
(
chemPointISAT<ThermoType>* phi0,
chemPointISAT* phi0,
const scalarField& phiq,
scalarField& Rphiq
);
@ -175,7 +178,7 @@ class ISAT
// Output: true if phiq is in the EOA, false if not
bool grow
(
chemPointISAT<ThermoType>* phi0,
chemPointISAT* phi0,
const scalarField& phiq,
const scalarField& Rphiq
);
@ -216,7 +219,7 @@ public:
ISAT
(
const dictionary& chemistryProperties,
const chemistryModel<ThermoType>& chemistry
const odeChemistryModel& chemistry
);
//- Disallow default bitwise copy construction
@ -241,12 +244,12 @@ public:
return reduction_;
}
const chemistryModel<ThermoType>& chemistry()
const odeChemistryModel& chemistry()
{
return chemistry_;
}
inline binaryTree<ThermoType>& chemisTree()
inline binaryTree& chemisTree()
{
return chemisTree_;
}
@ -298,12 +301,6 @@ public:
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#ifdef NoRepository
#include "ISAT.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

27
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/binaryNode/binaryNode.C
View File

@ -24,11 +24,11 @@ License
\*---------------------------------------------------------------------------*/
#include "binaryNode.H"
#include "ISAT.H"
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::binaryNode<ThermoType>::binaryNode()
Foam::binaryNode::binaryNode()
:
leafLeft_(nullptr),
leafRight_(nullptr),
@ -38,12 +38,11 @@ Foam::binaryNode<ThermoType>::binaryNode()
{}
template<class ThermoType>
Foam::binaryNode<ThermoType>::binaryNode
Foam::binaryNode::binaryNode
(
chemPointISAT<ThermoType>* elementLeft,
chemPointISAT<ThermoType>* elementRight,
binaryNode<ThermoType>* parent
chemPointISAT* elementLeft,
chemPointISAT* elementRight,
binaryNode* parent
)
:
leafLeft_(elementLeft),
@ -60,11 +59,10 @@ Foam::binaryNode<ThermoType>::binaryNode
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
void Foam::binaryNode<ThermoType>::calcV
void Foam::binaryNode::calcV
(
chemPointISAT<ThermoType>*& elementLeft,
chemPointISAT<ThermoType>*& elementRight,
chemPointISAT*& elementLeft,
chemPointISAT*& elementRight,
scalarField& v
)
{
@ -140,11 +138,10 @@ void Foam::binaryNode<ThermoType>::calcV
}
template<class ThermoType>
Foam::scalar Foam::binaryNode<ThermoType>::calcA
Foam::scalar Foam::binaryNode::calcA
(
chemPointISAT<ThermoType>* elementLeft,
chemPointISAT<ThermoType>* elementRight
chemPointISAT* elementLeft,
chemPointISAT* elementRight
)
{
scalarField phih((elementLeft->phi() + elementRight->phi())/2);

43
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/binaryNode/binaryNode.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2022 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -46,26 +46,25 @@ namespace Foam
Class binaryNode Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class binaryNode
{
public:
//- Element on the left
chemPointISAT<ThermoType>* leafLeft_;
chemPointISAT* leafLeft_;
//- Element on the right
chemPointISAT<ThermoType>* leafRight_;
chemPointISAT* leafRight_;
//- Node which follows on the left
binaryNode<ThermoType>* nodeLeft_;
binaryNode* nodeLeft_;
//- Node which follows on the right
binaryNode<ThermoType>* nodeRight_;
binaryNode* nodeRight_;
//- Parent node
binaryNode<ThermoType>* parent_;
binaryNode* parent_;
scalarField v_;
@ -102,8 +101,8 @@ public:
// Returnq: void (v is stored in the empty scalarField)
void calcV
(
chemPointISAT<ThermoType>*& elementLeft,
chemPointISAT<ThermoType>*& elementRight,
chemPointISAT*& elementLeft,
chemPointISAT*& elementRight,
scalarField& v
);
@ -115,8 +114,8 @@ public:
// part (where phi0 is).
scalar calcA
(
chemPointISAT<ThermoType>* elementLeft,
chemPointISAT<ThermoType>* elementRight
chemPointISAT* elementLeft,
chemPointISAT* elementRight
);
// Constructors
@ -127,9 +126,9 @@ public:
//- Construct from components
binaryNode
(
chemPointISAT<ThermoType>* elementLeft,
chemPointISAT<ThermoType>* elementRight,
binaryNode<ThermoType>* parent
chemPointISAT* elementLeft,
chemPointISAT* elementRight,
binaryNode* parent
);
@ -137,27 +136,27 @@ public:
//- Access
inline chemPointISAT<ThermoType>*& leafLeft()
inline chemPointISAT*& leafLeft()
{
return leafLeft_;
}
inline chemPointISAT<ThermoType>*& leafRight()
inline chemPointISAT*& leafRight()
{
return leafRight_;
}
inline binaryNode<ThermoType>*& nodeLeft()
inline binaryNode*& nodeLeft()
{
return nodeLeft_;
}
inline binaryNode<ThermoType>*& nodeRight()
inline binaryNode*& nodeRight()
{
return nodeRight_;
}
inline binaryNode<ThermoType>*& parent()
inline binaryNode*& parent()
{
return parent_;
}
@ -192,12 +191,6 @@ public:
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#ifdef NoRepository
#include "binaryNode.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

70
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/binaryTree/binaryTree.C
View File

@ -25,11 +25,11 @@ License
#include "binaryTree.H"
#include "SortableList.H"
#include "demandDrivenData.H"
// * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * * //
template<class ThermoType>
void Foam::binaryTree<ThermoType>::insertNode(chP*& phi0, bn*& newNode)
void Foam::binaryTree::insertNode(chP*& phi0, bn*& newNode)
{
if (phi0 == phi0->node()->leafRight())// phi0 is on the right
{
@ -52,8 +52,7 @@ void Foam::binaryTree<ThermoType>::insertNode(chP*& phi0, bn*& newNode)
}
template<class ThermoType>
bool Foam::binaryTree<ThermoType>::inSubTree
bool Foam::binaryTree::inSubTree
(
const scalarField& phiq,
bn* y,
@ -157,8 +156,7 @@ bool Foam::binaryTree<ThermoType>::inSubTree
}
template<class ThermoType>
void Foam::binaryTree<ThermoType>::deleteSubTree(bn* subTreeRoot)
void Foam::binaryTree::deleteSubTree(bn* subTreeRoot)
{
if (subTreeRoot != nullptr)
{
@ -171,8 +169,7 @@ void Foam::binaryTree<ThermoType>::deleteSubTree(bn* subTreeRoot)
}
template<class ThermoType>
void Foam::binaryTree<ThermoType>::transplant(bn* u, bn* v)
void Foam::binaryTree::transplant(bn* u, bn* v)
{
if (v != nullptr)
{
@ -208,9 +205,7 @@ void Foam::binaryTree<ThermoType>::transplant(bn* u, bn* v)
}
template<class ThermoType>
Foam::chemPointISAT<ThermoType>*
Foam::binaryTree<ThermoType>::chemPSibling(bn* y)
Foam::chemPointISAT* Foam::binaryTree::chemPSibling(bn* y)
{
if (y->parent() != nullptr)
{
@ -237,9 +232,7 @@ Foam::binaryTree<ThermoType>::chemPSibling(bn* y)
}
template<class ThermoType>
Foam::chemPointISAT<ThermoType>*
Foam::binaryTree<ThermoType>::chemPSibling(chP* x)
Foam::chemPointISAT* Foam::binaryTree::chemPSibling(chP* x)
{
if (size_>1)
{
@ -267,8 +260,7 @@ Foam::binaryTree<ThermoType>::chemPSibling(chP* x)
}
template<class ThermoType>
Foam::binaryNode<ThermoType>* Foam::binaryTree<ThermoType>::nodeSibling(bn* y)
Foam::binaryNode* Foam::binaryTree::nodeSibling(bn* y)
{
if (y->parent()!=nullptr)
{
@ -293,8 +285,7 @@ Foam::binaryNode<ThermoType>* Foam::binaryTree<ThermoType>::nodeSibling(bn* y)
}
template<class ThermoType>
Foam::binaryNode<ThermoType>* Foam::binaryTree<ThermoType>::nodeSibling(chP* x)
Foam::binaryNode* Foam::binaryTree::nodeSibling(chP* x)
{
if (size_>1)
{
@ -320,8 +311,7 @@ Foam::binaryNode<ThermoType>* Foam::binaryTree<ThermoType>::nodeSibling(chP* x)
}
template<class ThermoType>
void Foam::binaryTree<ThermoType>::deleteAllNode(bn* subTreeRoot)
void Foam::binaryTree::deleteAllNode(bn* subTreeRoot)
{
if (subTreeRoot != nullptr)
{
@ -334,10 +324,9 @@ void Foam::binaryTree<ThermoType>::deleteAllNode(bn* subTreeRoot)
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::binaryTree<ThermoType>::binaryTree
Foam::binaryTree::binaryTree
(
chemistryTabulationMethods::ISAT<ThermoType>& table,
chemistryTabulationMethods::ISAT& table,
dictionary coeffsDict
)
:
@ -352,8 +341,7 @@ Foam::binaryTree<ThermoType>::binaryTree
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
Foam::label Foam::binaryTree<ThermoType>::depth(bn* subTreeRoot)
Foam::label Foam::binaryTree::depth(bn* subTreeRoot)
{
// when we reach the leaf, we return 0
if (subTreeRoot == nullptr)
@ -373,8 +361,7 @@ Foam::label Foam::binaryTree<ThermoType>::depth(bn* subTreeRoot)
}
template<class ThermoType>
void Foam::binaryTree<ThermoType>::insertNewLeaf
void Foam::binaryTree::insertNewLeaf
(
const scalarField& phiq,
const scalarField& Rphiq,
@ -459,8 +446,7 @@ void Foam::binaryTree<ThermoType>::insertNewLeaf
}
template<class ThermoType>
void Foam::binaryTree<ThermoType>::binaryTreeSearch
void Foam::binaryTree::binaryTreeSearch
(
const scalarField& phiq,
bn* node,
@ -513,8 +499,7 @@ void Foam::binaryTree<ThermoType>::binaryTreeSearch
}
template<class ThermoType>
bool Foam::binaryTree<ThermoType>::secondaryBTSearch
bool Foam::binaryTree::secondaryBTSearch
(
const scalarField& phiq,
chP*& x
@ -571,8 +556,7 @@ bool Foam::binaryTree<ThermoType>::secondaryBTSearch
}
template<class ThermoType>
void Foam::binaryTree<ThermoType>::deleteLeaf(chP*& phi0)
void Foam::binaryTree::deleteLeaf(chP*& phi0)
{
if (size_ == 1) // only one point is stored
{
@ -634,8 +618,7 @@ void Foam::binaryTree<ThermoType>::deleteLeaf(chP*& phi0)
}
template<class ThermoType>
void Foam::binaryTree<ThermoType>::balance()
void Foam::binaryTree::balance()
{
//1) walk through the entire tree by starting with the tree's most left
// chemPoint
@ -727,9 +710,7 @@ void Foam::binaryTree<ThermoType>::balance()
}
template<class ThermoType>
Foam::chemPointISAT<ThermoType>*
Foam::binaryTree<ThermoType>::treeMin(bn* subTreeRoot)
Foam::chemPointISAT* Foam::binaryTree::treeMin(bn* subTreeRoot)
{
if (subTreeRoot!=nullptr)
{
@ -746,9 +727,7 @@ Foam::binaryTree<ThermoType>::treeMin(bn* subTreeRoot)
}
template<class ThermoType>
Foam::chemPointISAT<ThermoType>*
Foam::binaryTree<ThermoType>::treeSuccessor(chP* x)
Foam::chemPointISAT* Foam::binaryTree::treeSuccessor(chP* x)
{
if (size_>1)
{
@ -799,8 +778,7 @@ Foam::binaryTree<ThermoType>::treeSuccessor(chP* x)
}
template<class ThermoType>
void Foam::binaryTree<ThermoType>::clear()
void Foam::binaryTree::clear()
{
// Recursively delete the element in the subTree
deleteSubTree();
@ -813,15 +791,13 @@ void Foam::binaryTree<ThermoType>::clear()
}
template<class ThermoType>
bool Foam::binaryTree<ThermoType>::isFull()
bool Foam::binaryTree::isFull()
{
return size_ >= maxNLeafs_;
}
template<class ThermoType>
void Foam::binaryTree<ThermoType>::resetNumRetrieve()
void Foam::binaryTree::resetNumRetrieve()
{
// Has to go along each chP of the tree
if (size_ > 0)

17
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/binaryTree/binaryTree.H
View File

@ -55,15 +55,14 @@ namespace Foam
Class binaryTree Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class binaryTree
{
public:
// Public Typedefs
typedef binaryNode<ThermoType> bn;
typedef chemPointISAT<ThermoType> chP;
typedef binaryNode bn;
typedef chemPointISAT chP;
private:
@ -71,7 +70,7 @@ private:
// Private Data
//- Reference to the ISAT table
chemistryTabulationMethods::ISAT<ThermoType>& table_;
chemistryTabulationMethods::ISAT& table_;
//- Root node of the binary tree
bn *root_;
@ -105,7 +104,7 @@ private:
chP* x
);
void deleteSubTree(binaryNode<ThermoType>* subTreeRoot);
void deleteSubTree(binaryNode* subTreeRoot);
inline void deleteSubTree()
{
@ -135,7 +134,7 @@ public:
//- Construct from dictionary and chemistryOnLineLibrary
binaryTree
(
chemistryTabulationMethods::ISAT<ThermoType>& table,
chemistryTabulationMethods::ISAT& table,
dictionary coeffsDict
);
@ -251,12 +250,6 @@ public:
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#ifdef NoRepository
#include "binaryTree.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

47
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C
View File

@ -24,19 +24,19 @@ License
\*---------------------------------------------------------------------------*/
#include "chemPointISAT.H"
#include "ISAT.H"
#include "odeChemistryModel.H"
#include "SVD.H"
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
// Defined as static to be able to dynamically change it during simulations
// (all chemPoints refer to the same object)
template<class ThermoType>
Foam::scalar Foam::chemPointISAT<ThermoType>::tolerance_;
Foam::scalar Foam::chemPointISAT::tolerance_;
// * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * * //
template<class ThermoType>
void Foam::chemPointISAT<ThermoType>::qrDecompose
void Foam::chemPointISAT::qrDecompose
(
const label nCols,
scalarSquareMatrix& R
@ -102,8 +102,7 @@ void Foam::chemPointISAT<ThermoType>::qrDecompose
}
template<class ThermoType>
void Foam::chemPointISAT<ThermoType>::qrUpdate
void Foam::chemPointISAT::qrUpdate
(
scalarSquareMatrix& R,
const label n,
@ -156,8 +155,7 @@ void Foam::chemPointISAT<ThermoType>::qrUpdate
}
template<class ThermoType>
void Foam::chemPointISAT<ThermoType>::rotate
void Foam::chemPointISAT::rotate
(
scalarSquareMatrix& R,
const label i,
@ -196,10 +194,9 @@ void Foam::chemPointISAT<ThermoType>::rotate
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::chemPointISAT<ThermoType>::chemPointISAT
Foam::chemPointISAT::chemPointISAT
(
chemistryTabulationMethods::ISAT<ThermoType>& table,
chemistryTabulationMethods::ISAT& table,
const scalarField& phi,
const scalarField& Rphi,
const scalarSquareMatrix& A,
@ -208,7 +205,7 @@ Foam::chemPointISAT<ThermoType>::chemPointISAT
const label completeSpaceSize,
const label nActive,
const dictionary& coeffsDict,
binaryNode<ThermoType>* node
binaryNode* node
)
:
table_(table),
@ -299,10 +296,9 @@ Foam::chemPointISAT<ThermoType>::chemPointISAT
}
template<class ThermoType>
Foam::chemPointISAT<ThermoType>::chemPointISAT
Foam::chemPointISAT::chemPointISAT
(
Foam::chemPointISAT<ThermoType>& p
Foam::chemPointISAT& p
)
:
table_(p.table_),
@ -334,8 +330,7 @@ Foam::chemPointISAT<ThermoType>::chemPointISAT
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
bool Foam::chemPointISAT<ThermoType>::inEOA(const scalarField& phiq)
bool Foam::chemPointISAT::inEOA(const scalarField& phiq)
{
const scalarField dphi(phiq - phi());
@ -474,8 +469,7 @@ bool Foam::chemPointISAT<ThermoType>::inEOA(const scalarField& phiq)
}
template<class ThermoType>
bool Foam::chemPointISAT<ThermoType>::checkSolution
bool Foam::chemPointISAT::checkSolution
(
const scalarField& phiq,
const scalarField& Rphiq
@ -540,8 +534,7 @@ bool Foam::chemPointISAT<ThermoType>::checkSolution
}
template<class ThermoType>
bool Foam::chemPointISAT<ThermoType>::grow(const scalarField& phiq)
bool Foam::chemPointISAT::grow(const scalarField& phiq)
{
const scalarField dphi(phiq - phi());
const label initNActiveSpecies(nActive_);
@ -717,29 +710,25 @@ bool Foam::chemPointISAT<ThermoType>::grow(const scalarField& phiq)
}
template<class ThermoType>
void Foam::chemPointISAT<ThermoType>::increaseNumRetrieve()
void Foam::chemPointISAT::increaseNumRetrieve()
{
this->numRetrieve_++;
}
template<class ThermoType>
void Foam::chemPointISAT<ThermoType>::resetNumRetrieve()
void Foam::chemPointISAT::resetNumRetrieve()
{
this->numRetrieve_ = 0;
}
template<class ThermoType>
void Foam::chemPointISAT<ThermoType>::increaseNLifeTime()
void Foam::chemPointISAT::increaseNLifeTime()
{
this->nLifeTime_++;
}
template<class ThermoType>
Foam::label Foam::chemPointISAT<ThermoType>::simplifiedToCompleteIndex
Foam::label Foam::chemPointISAT::simplifiedToCompleteIndex
(
const label i
)

34
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.H
View File

@ -122,6 +122,10 @@ Description
#ifndef chemPointISAT_H
#define chemPointISAT_H
#include "scalarField.H"
#include "LUscalarMatrix.H"
#include "Switch.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
@ -129,15 +133,10 @@ namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
template<class ThermoType>
class binaryNode;
template<class ThermoType>
class chemistryModel;
namespace chemistryTabulationMethods
{
template<class ThermoType>
class ISAT;
}
@ -146,13 +145,12 @@ namespace chemistryTabulationMethods
Class chemPointISAT Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class chemPointISAT
{
// Private Data
//- Reference to the ISAT table
chemistryTabulationMethods::ISAT<ThermoType>& table_;
chemistryTabulationMethods::ISAT& table_;
//- Vector storing the composition, temperature and pressure
// and deltaT if a variable time step is set on
@ -172,7 +170,7 @@ class chemPointISAT
scalarField scaleFactor_;
//- Reference to the node in the binary tree holding this chemPoint
binaryNode<ThermoType>* node_;
binaryNode* node_;
//- The size of the composition space (size of the vector phi)
label completeSpaceSize_;
@ -251,7 +249,7 @@ public:
//- Construct from components
chemPointISAT
(
chemistryTabulationMethods::ISAT<ThermoType>& table,
chemistryTabulationMethods::ISAT& table,
const scalarField& phi,
const scalarField& Rphi,
const scalarSquareMatrix& A,
@ -260,24 +258,24 @@ public:
const label completeSpaceSize,
const label nActive,
const dictionary& coeffsDict,
binaryNode<ThermoType>* node = nullptr
binaryNode* node = nullptr
);
//- Construct from another chemPoint and reference to a binary node
chemPointISAT
(
const chemPointISAT<ThermoType>& p,
binaryNode<ThermoType>* node
const chemPointISAT& p,
binaryNode* node
);
//- Construct from another chemPoint
chemPointISAT(chemPointISAT<ThermoType>& p);
chemPointISAT(chemPointISAT& p);
// Member Functions
//- Access to the ISAT table
inline const chemistryTabulationMethods::ISAT<ThermoType>& table() const
inline const chemistryTabulationMethods::ISAT& table() const
{
return table_;
}
@ -317,7 +315,7 @@ public:
tolerance_ = newTol;
}
inline binaryNode<ThermoType>*& node()
inline binaryNode*& node()
{
return node_;
}
@ -448,12 +446,6 @@ public:
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#ifdef NoRepository
#include "chemPointISAT.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

21
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2022 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -24,23 +24,30 @@ License
\*---------------------------------------------------------------------------*/
#include "chemistryTabulationMethod.H"
#include "chemistryModel.H"
#include "odeChemistryModel.H"
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
namespace Foam
{
defineTypeNameAndDebug(chemistryTabulationMethod, 0);
defineRunTimeSelectionTable(chemistryTabulationMethod, dictionary);
}
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::chemistryTabulationMethod<ThermoType>::chemistryTabulationMethod
Foam::chemistryTabulationMethod::chemistryTabulationMethod
(
const dictionary& dict,
const chemistryModel<ThermoType>& chemistry
const odeChemistryModel& chemistry
)
{}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::chemistryTabulationMethod<ThermoType>::~chemistryTabulationMethod()
Foam::chemistryTabulationMethod::~chemistryTabulationMethod()
{}

17
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.H
View File

@ -46,14 +46,12 @@ namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
template<class ThermoType>
class chemistryModel;
class odeChemistryModel;
/*---------------------------------------------------------------------------*\
Class chemistryTabulationMethod Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class chemistryTabulationMethod
{
public:
@ -70,7 +68,7 @@ public:
dictionary,
(
const dictionary& dict,
const chemistryModel<ThermoType>& chemistry
const odeChemistryModel& chemistry
),
(dict, chemistry)
);
@ -82,7 +80,7 @@ public:
chemistryTabulationMethod
(
const dictionary& dict,
const chemistryModel<ThermoType>& chemistry
const odeChemistryModel& chemistry
);
@ -91,7 +89,7 @@ public:
static autoPtr<chemistryTabulationMethod> New
(
const IOdictionary& dict,
const chemistryModel<ThermoType>& chemistry
const odeChemistryModel& chemistry
);
@ -142,13 +140,6 @@ public:
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#ifdef NoRepository
#include "chemistryTabulationMethod.C"
#include "chemistryTabulationMethodNew.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

50
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethodNew.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2022 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -29,12 +29,11 @@ License
// * * * * * * * * * * * * * * * * Selectors * * * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::autoPtr<Foam::chemistryTabulationMethod<ThermoType>>
Foam::chemistryTabulationMethod<ThermoType>::New
Foam::autoPtr<Foam::chemistryTabulationMethod>
Foam::chemistryTabulationMethod::New
(
const IOdictionary& dict,
const chemistryModel<ThermoType>& chemistry
const odeChemistryModel& chemistry
)
{
if (dict.found("tabulation"))
@ -45,57 +44,28 @@ Foam::chemistryTabulationMethod<ThermoType>::New
Info<< "Selecting chemistry tabulation method " << methodName << endl;
const word methodTypeName =
methodName + '<' + ThermoType::typeName() + '>';
typename dictionaryConstructorTable::iterator cstrIter =
dictionaryConstructorTablePtr_->find(methodTypeName);
dictionaryConstructorTablePtr_->find(methodName);
if (cstrIter == dictionaryConstructorTablePtr_->end())
{
FatalErrorInFunction
<< "Unknown " << typeName_() << " type " << methodName << endl
<< endl;
const wordList names(dictionaryConstructorTablePtr_->sortedToc());
wordList thisCmpts;
thisCmpts.append(word::null);
thisCmpts.append
(
basicThermo::splitThermoName(ThermoType::typeName(), 5)
);
wordList validNames;
forAll(names, i)
{
const wordList cmpts(basicThermo::splitThermoName(names[i], 6));
if
(
SubList<word>(cmpts, 5, 1) == SubList<word>(thisCmpts, 5, 1)
)
{
validNames.append(cmpts[0]);
}
}
FatalErrorInFunction
<< "Valid " << typeName_()
<< " types are:" << validNames << endl
<< "Valid " << typeName_() << " types are:"
<< dictionaryConstructorTablePtr_->sortedToc() << endl
<< exit(FatalError);
}
return autoPtr<chemistryTabulationMethod<ThermoType>>
return autoPtr<chemistryTabulationMethod>
(
cstrIter()(dict, chemistry)
);
}
else
{
return autoPtr<chemistryTabulationMethod<ThermoType>>
return autoPtr<chemistryTabulationMethod>
(
new chemistryTabulationMethods::none<ThermoType>(dict, chemistry)
new chemistryTabulationMethods::none(dict, chemistry)
);
}
}

41
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethods.C
View File

@ -1,41 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2020-2021 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 "chemistryTabulationMethod.H"
#include "forGases.H"
#include "forLiquids.H"
#include "makeChemistryTabulationMethod.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
forCoeffGases(defineChemistryTabulationMethod, nullArg);
forCoeffLiquids(defineChemistryTabulationMethod, nullArg);
}
// ************************************************************************* //

84
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/makeChemistryTabulationMethod.H
View File

@ -1,84 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2021 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/>.
\*---------------------------------------------------------------------------*/
#ifndef makeChemistryTabulationMethod_H
#define makeChemistryTabulationMethod_H
#include "addToRunTimeSelectionTable.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#define defineChemistryTabulationMethod(nullArg, ThermoPhysics) \
\
typedef chemistryTabulationMethod<ThermoPhysics> \
chemistryTabulationMethod##ThermoPhysics; \
\
defineTemplateTypeNameAndDebugWithName \
( \
chemistryTabulationMethod##ThermoPhysics, \
( \
word(chemistryTabulationMethod##ThermoPhysics::typeName_()) \
+ "<" + ThermoPhysics::typeName() + ">" \
).c_str(), \
0 \
); \
\
defineTemplateRunTimeSelectionTable \
( \
chemistryTabulationMethod##ThermoPhysics, \
dictionary \
)
#define makeChemistryTabulationMethod(Method, ThermoPhysics) \
\
typedef chemistryTabulationMethod<ThermoPhysics> \
chemistryTabulationMethod##ThermoPhysics; \
\
typedef chemistryTabulationMethods::Method<ThermoPhysics> \
chemistryTabulationMethod##Method##ThermoPhysics; \
\
defineTemplateTypeNameAndDebugWithName \
( \
chemistryTabulationMethod##Method##ThermoPhysics, \
( \
word(chemistryTabulationMethod##Method##ThermoPhysics::typeName_())\
+ "<" + ThermoPhysics::typeName() + ">" \
).c_str(), \
0 \
); \
\
addToRunTimeSelectionTable \
( \
chemistryTabulationMethod##ThermoPhysics, \
chemistryTabulationMethod##Method##ThermoPhysics, \
dictionary \
)
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

26
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2022 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -24,17 +24,30 @@ License
\*---------------------------------------------------------------------------*/
#include "noChemistryTabulation.H"
#include "addToRunTimeSelectionTable.H"
/* * * * * * * * * * * * * * * Static Member Data * * * * * * * * * * * * * */
namespace Foam
{
namespace chemistryTabulationMethods
{
defineTypeNameAndDebug(none, 0);
addToRunTimeSelectionTable(chemistryTabulationMethod, none, dictionary);
}
}
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::chemistryTabulationMethods::none<ThermoType>::none
Foam::chemistryTabulationMethods::none::none
(
const dictionary& chemistryProperties,
const chemistryModel<ThermoType>& chemistry
const odeChemistryModel& chemistry
)
:
chemistryTabulationMethod<ThermoType>
chemistryTabulationMethod
(
chemistryProperties,
chemistry
@ -44,8 +57,7 @@ Foam::chemistryTabulationMethods::none<ThermoType>::none
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::chemistryTabulationMethods::none<ThermoType>::~none()
Foam::chemistryTabulationMethods::none::~none()
{}

11
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.H
View File

@ -49,10 +49,9 @@ namespace chemistryTabulationMethods
Class none Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class none
:
public chemistryTabulationMethod<ThermoType>
public chemistryTabulationMethod
{
public:
@ -65,7 +64,7 @@ public:
none
(
const dictionary& chemistryProperties,
const chemistryModel<ThermoType>& chemistry
const odeChemistryModel& chemistry
);
//- Disallow default bitwise copy construction
@ -128,12 +127,6 @@ public:
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#ifdef NoRepository
#include "noChemistryTabulation.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

43
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/noChemistryTabulation/noChemistryTabulationMethods.C
View File

@ -1,43 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2020-2021 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 "chemistryTabulationMethod.H"
#include "noChemistryTabulation.H"
#include "forGases.H"
#include "forLiquids.H"
#include "makeChemistryTabulationMethod.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
forCoeffGases(makeChemistryTabulationMethod, none);
forCoeffLiquids(makeChemistryTabulationMethod, none);
}
// ************************************************************************* //

42
src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/ISATChemistryTabulationMethods.C → src/thermophysicalModels/chemistryModel/odeChemistryModel/odeChemistryModel.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2020-2021 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2022 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -23,21 +23,43 @@ License
\*---------------------------------------------------------------------------*/
#include "chemistryTabulationMethod.H"
#include "odeChemistryModel.H"
#include "ISAT.H"
#include "forGases.H"
#include "forLiquids.H"
#include "makeChemistryTabulationMethod.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
namespace Foam
{
forCoeffGases(makeChemistryTabulationMethod, ISAT);
forCoeffLiquids(makeChemistryTabulationMethod, ISAT);
defineTypeNameAndDebug(odeChemistryModel, 0);
}
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
Foam::odeChemistryModel::odeChemistryModel
(
const fluidReactionThermo& thermo
)
:
basicChemistryModel(thermo),
ODESystem(),
Yvf_(this->thermo().composition().Y()),
nSpecie_(Yvf_.size()),
reduction_(false),
cTos_(nSpecie_, -1),
sToc_(nSpecie_)
{
Info<< "odeChemistryModel: Number of species = " << nSpecie_ << endl;
}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
Foam::odeChemistryModel::~odeChemistryModel()
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
// ************************************************************************* //

158
src/thermophysicalModels/chemistryModel/odeChemistryModel/odeChemistryModel.H Normal file
View File

@ -0,0 +1,158 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2022 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::odeChemistryModel
Description
Extends base chemistry model adding an ODESystem and the reduction maps
needed for tabulation.
SourceFiles
odeChemistryModelI.H
odeChemistryModel.C
\*---------------------------------------------------------------------------*/
#ifndef odeChemistryModel_H
#define odeChemistryModel_H
#include "basicChemistryModel.H"
#include "ODESystem.H"
#include "OFstream.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
template<class ThermoType>
class chemistryModel;
template<class ThermoType>
class chemistryReductionMethod;
/*---------------------------------------------------------------------------*\
Class odeChemistryModel Declaration
\*---------------------------------------------------------------------------*/
class odeChemistryModel
:
public basicChemistryModel,
public ODESystem
{
// Private data
//- Reference to the field of specie mass fractions
const PtrList<volScalarField>& Yvf_;
//- Number of species
label nSpecie_;
//- Is chemistry reduction active
bool reduction_;
//- Temporary map from complete to simplified concentration fields
// c -> sc
List<label> cTos_;
//- Temporary map from simplified to complete concentration fields
// sc -> c
DynamicList<label> sToc_;
public:
template<class ThermoType>
friend class chemistryModel;
template<class ThermoType>
friend class chemistryReductionMethod;
//- Runtime type information
TypeName("odeChemistryModel");
// Constructors
//- Construct from thermo
odeChemistryModel(const fluidReactionThermo& thermo);
//- Disallow default bitwise copy construction
odeChemistryModel(const odeChemistryModel&) = delete;
//- Destructor
virtual ~odeChemistryModel();
// Member Functions
//- Create and return a TDAC log file of the given name
inline autoPtr<OFstream> logFile(const word& name) const;
//- The number of species
inline virtual label nSpecie() const;
//- Allow the reduction method to reset the number of species
inline void setNSpecie(const label newNs);
//- Number of ODE's to solve
inline virtual label nEqns() const;
//- Return a reference to the list of mass fraction fields
inline const PtrList<volScalarField>& Y() const;
//- Return true if mechanism reduction is active
inline bool reduction() const;
//- Return the index in the complete set of species
// corresponding to the index si in the simplified set of species
inline label sToc(const label si) const;
//- Return the index in the simplified set of species
// corresponding to the index si in the complete set of species
inline label cTos(const label ci) const;
// Member Operators
//- Disallow default bitwise assignment
void operator=(const odeChemistryModel&) = delete;
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "odeChemistryModelI.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

108
src/thermophysicalModels/chemistryModel/odeChemistryModel/odeChemistryModelI.H Normal file
View File

@ -0,0 +1,108 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2022 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 "OSspecific.H"
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
inline Foam::autoPtr<Foam::OFstream>
Foam::odeChemistryModel::logFile(const word& name) const
{
mkDir(this->mesh().time().path()/"TDAC"/this->group());
return autoPtr<OFstream>
(
new OFstream
(
this->mesh().time().path()/"TDAC"/this->group()/name
)
);
}
inline Foam::label Foam::odeChemistryModel::nSpecie() const
{
return nSpecie_;
}
inline void Foam::odeChemistryModel::setNSpecie(const label newNs)
{
nSpecie_ = newNs;
}
inline Foam::label Foam::odeChemistryModel::nEqns() const
{
// nEqns = number of species + temperature + pressure
return nSpecie_ + 2;
}
inline const Foam::PtrList<Foam::volScalarField>&
Foam::odeChemistryModel::Y() const
{
return Yvf_;
}
inline bool Foam::odeChemistryModel::reduction() const
{
return reduction_;
}
inline Foam::label Foam::odeChemistryModel::sToc
(
const label si
) const
{
if (reduction_)
{
return sToc_[si];
}
else
{
return si;
}
}
inline Foam::label Foam::odeChemistryModel::cTos
(
const label ci
) const
{
if (reduction_)
{
return cTos_[ci];
}
else
{
return ci;
}
}
// ************************************************************************* //