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TDACChemistryModel: Rationalised interface to reduction and tabulation methods

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Most tabulation and reduction specific code in TDACChemistryModel has been moved
into the appropriate tabulation and reduction classes and the "none" methods of
each simplified so that they can be instantiated without any user input.  This
allows the "none" tabulation and reduction methods to be selected automatically
when the "tabulation" or "reduction" entries are not present in the
chemistryProperties dictionary so that the TDACChemistryModel can be run in the
same manner as the standardChemistryModel when tabulation and reduction are not
required.

This is the first step towards merging TDACChemistryModel with standardChemistryModel.
This commit is contained in:
Henry Weller
2021-09-07 21:03:55 +01:00
parent 19950fa3b8
commit 1932addc2c
35 changed files with 903 additions and 667 deletions
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6
etc/caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg
View File

@ -8,9 +8,6 @@
reduction
{
// Activate reduction
active on;
// Switch logging of the reduction statistics and performance
log on;
@ -41,9 +38,6 @@ reduction
tabulation
{
// Activate tabulation
active on;
// Switch logging of the tabulation statistics and performance
log on;

6
etc/caseDicts/solvers/chemistry/TDAC/chemistryPropertiesFlame.cfg
View File

@ -8,9 +8,6 @@
reduction
{
// Activate reduction
active on;
// Switch logging of the reduction statistics and performance
log on;
@ -41,9 +38,6 @@ reduction
tabulation
{
// Activate tabulation
active on;
// Switch logging of the tabulation statistics and performance
log on;

144
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C
View File

@ -37,25 +37,12 @@ Foam::TDACChemistryModel<ThermoType>::TDACChemistryModel
)
:
standardChemistryModel<ThermoType>(thermo),
timeSteps_(0),
log_(this->lookupOrDefault("log", false)),
NsDAC_(this->nSpecie_),
completeC_(this->nSpecie_, 0),
reactionsDisabled_(this->reactions_.size(), false),
completeToSimplifiedIndex_(this->nSpecie_, -1),
simplifiedToCompleteIndex_(this->nSpecie_),
tabulationResults_
(
IOobject
(
thermo.phasePropertyName("TabulationResults"),
this->time().timeName(),
this->mesh(),
IOobject::NO_READ,
IOobject::AUTO_WRITE
),
this->mesh(),
scalar(0)
)
simplifiedToCompleteIndex_(this->nSpecie_)
{
const basicSpecieMixture& composition = this->thermo().composition();
@ -94,20 +81,7 @@ Foam::TDACChemistryModel<ThermoType>::TDACChemistryModel
*this
);
if (mechRed_->log())
{
cpuReduceFile_ = logFile("cpu_reduce.out");
nActiveSpeciesFile_ = logFile("nActiveSpecies.out");
}
if (tabulation_->log())
{
cpuAddFile_ = logFile("cpu_add.out");
cpuGrowFile_ = logFile("cpu_grow.out");
cpuRetrieveFile_ = logFile("cpu_retrieve.out");
}
if (mechRed_->log() || tabulation_->log())
if (log_)
{
cpuSolveFile_ = logFile("cpu_solve.out");
}
@ -362,7 +336,6 @@ void Foam::TDACChemistryModel<ThermoType>::jacobian
d2TdtdT /= ccp;
// d(dpdt)/dc = 0 (pressure is assumed constant)
// d(dpdt)/dT = 0 (pressure is assumed constant)
}
@ -374,27 +347,15 @@ Foam::scalar Foam::TDACChemistryModel<ThermoType>::solve
const DeltaTType& deltaT
)
{
// Increment counter of time-step
timeSteps_++;
const bool reduced = mechRed_->active();
tabulation_->reset();
const basicSpecieMixture& composition = this->thermo().composition();
// CPU time analysis
const clockTime clockTime_= clockTime();
const clockTime clockTime_ = clockTime();
clockTime_.timeIncrement();
scalar reduceMechCpuTime_ = 0;
scalar addNewLeafCpuTime_ = 0;
scalar growCpuTime_ = 0;
scalar solveChemistryCpuTime_ = 0;
scalar searchISATCpuTime_ = 0;
this->resetTabulationResults();
// Average number of active species
scalar nActiveSpecies = 0;
scalar nAvg = 0;
basicChemistryModel::correct();
@ -445,15 +406,13 @@ Foam::scalar Foam::TDACChemistryModel<ThermoType>::solve
// When tabulation is active (short-circuit evaluation for retrieve)
// It first tries to retrieve the solution of the system with the
// information stored through the tabulation method
if (tabulation_->active() && tabulation_->retrieve(phiq, Rphiq))
if (tabulation_->retrieve(phiq, Rphiq))
{
// Retrieved solution stored in Rphiq
for (label i=0; i<this->nSpecie(); i++)
{
c[i] = rhoi*Rphiq[i]/this->specieThermos_[i].W();
}
searchISATCpuTime_ += clockTime_.timeIncrement();
}
// This position is reached when tabulation is not used OR
// if the solution is not retrieved.
@ -468,9 +427,6 @@ Foam::scalar Foam::TDACChemistryModel<ThermoType>::solve
{
// Reduce mechanism change the number of species (only active)
mechRed_->reduceMechanism(pi, Ti, c, celli);
nActiveSpecies += mechRed_->NsSimp();
nAvg++;
reduceMechCpuTime_ += clockTime_.timeIncrement();
}
// Calculate the chemical source terms
@ -506,13 +462,14 @@ Foam::scalar Foam::TDACChemistryModel<ThermoType>::solve
timeLeft -= dt;
}
if (log_)
{
solveChemistryCpuTime_ += clockTime_.timeIncrement();
}
// If tabulation is used, we add the information computed here to
// the stored points (either expand or add)
if (tabulation_->active())
if (tabulation_->tabulates())
{
forAll(c, i)
{
@ -522,18 +479,7 @@ Foam::scalar Foam::TDACChemistryModel<ThermoType>::solve
Rphiq[Rphiq.size()-2] = pi;
Rphiq[Rphiq.size()-1] = deltaT[celli];
label growOrAdd =
tabulation_->add(phiq, Rphiq, celli, rhoi, deltaT[celli]);
if (growOrAdd)
{
this->setTabulationResultsAdd(celli);
addNewLeafCpuTime_ += clockTime_.timeIncrement();
}
else
{
this->setTabulationResultsGrow(celli);
growCpuTime_ += clockTime_.timeIncrement();
}
tabulation_->add(phiq, Rphiq, celli, rhoi, deltaT[celli]);
}
// When operations are done and if mechanism reduction is active,
@ -557,51 +503,15 @@ Foam::scalar Foam::TDACChemistryModel<ThermoType>::solve
}
}
if (mechRed_->log() || tabulation_->log())
if (log_)
{
cpuSolveFile_()
<< this->time().timeOutputValue()
<< " " << solveChemistryCpuTime_ << endl;
}
if (mechRed_->log())
{
cpuReduceFile_()
<< this->time().timeOutputValue()
<< " " << reduceMechCpuTime_ << endl;
}
if (tabulation_->active())
{
// Every time-step, look if the tabulation should be updated
tabulation_->update();
// Write the performance of the tabulation
tabulation_->writePerformance();
if (tabulation_->log())
{
cpuRetrieveFile_()
<< this->time().timeOutputValue()
<< " " << searchISATCpuTime_ << endl;
cpuGrowFile_()
<< this->time().timeOutputValue()
<< " " << growCpuTime_ << endl;
cpuAddFile_()
<< this->time().timeOutputValue()
<< " " << addNewLeafCpuTime_ << endl;
}
}
if (reduced && nAvg && mechRed_->log())
{
// Write average number of species
nActiveSpeciesFile_()
<< this->time().timeOutputValue()
<< " " << nActiveSpecies/nAvg << endl;
}
mechRed_->update();
tabulation_->update();
if (Pstream::parRun())
{
@ -647,34 +557,4 @@ Foam::scalar Foam::TDACChemistryModel<ThermoType>::solve
}
template<class ThermoType>
void Foam::TDACChemistryModel<ThermoType>::
setTabulationResultsAdd
(
const label celli
)
{
tabulationResults_[celli] = 0;
}
template<class ThermoType>
void Foam::TDACChemistryModel<ThermoType>::
setTabulationResultsGrow(const label celli)
{
tabulationResults_[celli] = 1;
}
template<class ThermoType>
void Foam::TDACChemistryModel<ThermoType>::
setTabulationResultsRetrieve
(
const label celli
)
{
tabulationResults_[celli] = 2;
}
// ************************************************************************* //

41
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.H
View File

@ -85,7 +85,8 @@ class TDACChemistryModel
{
// Private member data
label timeSteps_;
//- Switch to select performance logging
Switch log_;
// Mechanism reduction
label NsDAC_;
@ -94,35 +95,16 @@ class TDACChemistryModel
Field<bool> reactionsDisabled_;
Field<label> completeToSimplifiedIndex_;
DynamicList<label> simplifiedToCompleteIndex_;
//- Reduction
autoPtr<chemistryReductionMethod<ThermoType>> mechRed_;
// Tabulation
//- Tabulation
autoPtr<chemistryTabulationMethod<ThermoType>> tabulation_;
// Log file for the average time spent reducing the chemistry
autoPtr<OFstream> cpuReduceFile_;
// Write average number of species
autoPtr<OFstream> nActiveSpeciesFile_;
//- Log file for the average time spent adding tabulated data
autoPtr<OFstream> cpuAddFile_;
//- Log file for the average time spent growing tabulated data
autoPtr<OFstream> cpuGrowFile_;
//- Log file for the average time spent retrieving tabulated data
autoPtr<OFstream> cpuRetrieveFile_;
//- Log file for average time spent solving the chemistry
autoPtr<OFstream> cpuSolveFile_;
// Field containing information about tabulation:
// 0 -> add (direct integration)
// 1 -> grow
// 2 -> retrieve
volScalarField tabulationResults_;
// Private Member Functions
@ -154,9 +136,6 @@ public:
// Member Functions
//- Return the number of chemistry evaluations (used by ISAT)
inline label timeSteps() const;
//- Create and return a TDAC log file of the given name
inline autoPtr<OFstream> logFile(const word& name) const;
@ -241,16 +220,6 @@ public:
inline autoPtr<chemistryReductionMethod<ThermoType>>& mechRed();
inline tmp<volScalarField> tabulationResults() const;
void setTabulationResultsAdd(const label celli);
void setTabulationResultsGrow(const label celli);
void setTabulationResultsRetrieve(const label celli);
inline void resetTabulationResults();
// Member Operators

25
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModelI.H
View File

@ -25,13 +25,6 @@ License
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
inline Foam::label Foam::TDACChemistryModel<ThermoType>::timeSteps() const
{
return timeSteps_;
}
template<class ThermoType>
inline Foam::autoPtr<Foam::OFstream>
Foam::TDACChemistryModel<ThermoType>::logFile(const word& name) const
@ -63,14 +56,6 @@ Foam::TDACChemistryModel<ThermoType>::mechRed()
}
template<class ThermoType>
inline Foam::tmp<Foam::volScalarField>
Foam::TDACChemistryModel<ThermoType>::tabulationResults() const
{
return tabulationResults_;
}
template<class ThermoType>
inline void Foam::TDACChemistryModel<ThermoType>::setActive(const label i)
{
@ -145,14 +130,4 @@ inline Foam::scalarField& Foam::TDACChemistryModel<ThermoType>::simplifiedC()
}
template<class ThermoType>
void Foam::TDACChemistryModel<ThermoType>::resetTabulationResults()
{
forAll(tabulationResults_, tabi)
{
tabulationResults_[tabi] = 2;
}
}
// ************************************************************************* //

60
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DAC/DAC.C
View File

@ -34,14 +34,14 @@ Foam::chemistryReductionMethods::DAC<ThermoType>::DAC
TDACChemistryModel<ThermoType>& chemistry
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry),
chemistryReduction<ThermoType>(dict, chemistry),
searchInitSet_(),
zprime_(0),
nbCLarge_(3),
sC_(this->nSpecie_,0),
sH_(this->nSpecie_,0),
sO_(this->nSpecie_,0),
sN_(this->nSpecie_,0),
sC_(this->nSpecie(),0),
sH_(this->nSpecie(),0),
sO_(this->nSpecie(),0),
sN_(this->nSpecie(),0),
CO2Id_(-1),
COId_(-1),
HO2Id_(-1),
@ -117,7 +117,7 @@ Foam::chemistryReductionMethods::DAC<ThermoType>::DAC
this->coeffsDict_.template lookup<scalar>("NOxThreshold");
}
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
const List<specieElement>& curSpecieComposition =
chemistry.mixture().specieComposition(i);
@ -240,28 +240,30 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
const label li
)
{
chemistryReduction<ThermoType>::initReduceMechanism();
scalarField& completeC(this->chemistry_.completeC());
scalarField c1(this->chemistry_.nEqns(), 0.0);
for(label i=0; i<this->nSpecie_; i++)
for(label i=0; i<this->nSpecie(); i++)
{
c1[i] = c[i];
completeC[i] = c[i];
}
c1[this->nSpecie_] = T;
c1[this->nSpecie_+1] = p;
c1[this->nSpecie()] = T;
c1[this->nSpecie()+1] = p;
// Compute the rAB matrix
RectangularMatrix<scalar> rABNum(this->nSpecie_,this->nSpecie_,0.0);
scalarField PA(this->nSpecie_,0.0);
scalarField CA(this->nSpecie_,0.0);
RectangularMatrix<scalar> rABNum(this->nSpecie(),this->nSpecie(),0.0);
scalarField PA(this->nSpecie(),0.0);
scalarField CA(this->nSpecie(),0.0);
// Number of initialised rAB for each lines
Field<label> NbrABInit(this->nSpecie_,0);
Field<label> NbrABInit(this->nSpecie(),0);
// Position of the initialised rAB, -1 when not initialised
RectangularMatrix<label> rABPos(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<label> rABPos(this->nSpecie(), this->nSpecie(), -1);
// Index of the other species involved in the rABNum
RectangularMatrix<label> rABOtherSpec(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<label> rABOtherSpec(this->nSpecie(), this->nSpecie(), -1);
forAll(this->chemistry_.reactions(), i)
{
@ -288,7 +290,7 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
{
label ss = R.lhs()[s].index;
scalar sl = -R.lhs()[s].stoichCoeff; // vAi = v''-v' => here -v'
List<bool> deltaBi(this->nSpecie_, false);
List<bool> deltaBi(this->nSpecie(), false);
FIFOStack<label> usedIndex;
forAll(R.lhs(), j)
{
@ -351,7 +353,7 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
{
label ss = R.rhs()[s].index;
scalar sl = R.rhs()[s].stoichCoeff; // vAi = v''-v' => here v''
List<bool> deltaBi(this->nSpecie_, false);
List<bool> deltaBi(this->nSpecie(), false);
FIFOStack<label> usedIndex;
forAll(R.lhs(), j)
{
@ -453,7 +455,7 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
scalarList Na(nElements,0.0);
scalarList Nal(nElements,0.0); // for large hydrocarbons
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
// Complete combustion products are not considered
if
@ -490,12 +492,12 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
// Using the rAB matrix (numerator and denominator separated)
// compute the R value according to the search initiating set
scalarField Rvalue(this->nSpecie_,0.0);
scalarField Rvalue(this->nSpecie(),0.0);
label speciesNumber = 0;
// Set all species to inactive and activate them according
// to rAB and initial set
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
this->activeSpecies_[i] = false;
}
@ -667,15 +669,15 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
}
}
this->NsSimp_ = speciesNumber;
this->nActiveSpecies_ = speciesNumber;
scalarField& simplifiedC(this->chemistry_.simplifiedC());
simplifiedC.setSize(this->NsSimp_+2);
simplifiedC.setSize(this->nActiveSpecies_+2);
DynamicList<label>& s2c(this->chemistry_.simplifiedToCompleteIndex());
s2c.setSize(this->NsSimp_);
s2c.setSize(this->nActiveSpecies_);
Field<label>& c2s(this->chemistry_.completeToSimplifiedIndex());
label j = 0;
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
if (this->activeSpecies_[i])
{
@ -693,13 +695,15 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
}
}
simplifiedC[this->NsSimp_] = T;
simplifiedC[this->NsSimp_+1] = p;
this->chemistry_.setNsDAC(this->NsSimp_);
simplifiedC[this->nActiveSpecies_] = T;
simplifiedC[this->nActiveSpecies_+1] = p;
this->chemistry_.setNsDAC(this->nActiveSpecies_);
// Change temporary Ns in chemistryModel
// to make the function nEqns working
this->chemistry_.setNSpecie(this->NsSimp_);
this->chemistry_.setNSpecie(this->nActiveSpecies_);
chemistryReduction<ThermoType>::endReduceMechanism();
}

4
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DAC/DAC.H
View File

@ -89,7 +89,7 @@ SourceFiles
#ifndef DAC_H
#define DAC_H
#include "chemistryReductionMethod.H"
#include "chemistryReduction.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -104,7 +104,7 @@ namespace chemistryReductionMethods
template<class ThermoType>
class DAC
:
public chemistryReductionMethod<ThermoType>
public chemistryReduction<ThermoType>
{
// Private Data

44
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRG/DRG.C
View File

@ -34,7 +34,7 @@ Foam::chemistryReductionMethods::DRG<ThermoType>::DRG
TDACChemistryModel<ThermoType>& chemistry
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry),
chemistryReduction<ThermoType>(dict, chemistry),
searchInitSet_()
{
const wordHashSet initSet(this->coeffsDict_.lookup("initialSet"));
@ -63,28 +63,30 @@ void Foam::chemistryReductionMethods::DRG<ThermoType>::reduceMechanism
const label li
)
{
scalarField c1(this->nSpecie_+2, 0.0);
chemistryReduction<ThermoType>::initReduceMechanism();
for(label i=0; i<this->nSpecie_; i++)
scalarField c1(this->nSpecie()+2, 0.0);
for(label i=0; i<this->nSpecie(); i++)
{
c1[i] = c[i];
}
c1[this->nSpecie_] = T;
c1[this->nSpecie_+1] = p;
c1[this->nSpecie()] = T;
c1[this->nSpecie()+1] = p;
// Compute the rAB matrix
RectangularMatrix<scalar> rABNum(this->nSpecie_,this->nSpecie_,0.0);
scalarField rABDen(this->nSpecie_,0.0);
RectangularMatrix<scalar> rABNum(this->nSpecie(),this->nSpecie(),0.0);
scalarField rABDen(this->nSpecie(),0.0);
// Number of initialised rAB for each lines
Field<label> NbrABInit(this->nSpecie_,0);
Field<label> NbrABInit(this->nSpecie(),0);
// Position of the initialised rAB, -1 when not initialised
RectangularMatrix<label> rABPos(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<label> rABPos(this->nSpecie(), this->nSpecie(), -1);
// Index of the other species involved in the rABNum
RectangularMatrix<label> rABOtherSpec(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<label> rABOtherSpec(this->nSpecie(), this->nSpecie(), -1);
forAll(this->chemistry_.reactions(), i)
{
@ -152,7 +154,7 @@ void Foam::chemistryReductionMethods::DRG<ThermoType>::reduceMechanism
// Absolute value of aggregated value
scalar curwA = ((wA[id]>=0) ? wA[id] : -wA[id]);
List<bool> deltaBi(this->nSpecie_, false);
List<bool> deltaBi(this->nSpecie(), false);
FIFOStack<label> usedIndex;
forAll(R.lhs(), j)
{
@ -208,7 +210,7 @@ void Foam::chemistryReductionMethods::DRG<ThermoType>::reduceMechanism
// Set all species to inactive and activate them according
// to rAB and initial set
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
this->activeSpecies_[i] = false;
}
@ -293,12 +295,12 @@ void Foam::chemistryReductionMethods::DRG<ThermoType>::reduceMechanism
}
}
this->NsSimp_ = speciesNumber;
this->chemistry_.simplifiedC().setSize(this->NsSimp_+2);
this->chemistry_.simplifiedToCompleteIndex().setSize(this->NsSimp_);
this->nActiveSpecies_ = speciesNumber;
this->chemistry_.simplifiedC().setSize(this->nActiveSpecies_+2);
this->chemistry_.simplifiedToCompleteIndex().setSize(this->nActiveSpecies_);
label j = 0;
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
if (this->activeSpecies_[i])
{
@ -316,13 +318,15 @@ void Foam::chemistryReductionMethods::DRG<ThermoType>::reduceMechanism
}
}
this->chemistry_.simplifiedC()[this->NsSimp_] = T;
this->chemistry_.simplifiedC()[this->NsSimp_+1] = p;
this->chemistry_.setNsDAC(this->NsSimp_);
this->chemistry_.simplifiedC()[this->nActiveSpecies_] = T;
this->chemistry_.simplifiedC()[this->nActiveSpecies_+1] = p;
this->chemistry_.setNsDAC(this->nActiveSpecies_);
// Change temporary Ns in chemistryModel
// to make the function nEqns working
this->chemistry_.setNSpecie(this->NsSimp_);
this->chemistry_.setNSpecie(this->nActiveSpecies_);
chemistryReduction<ThermoType>::endReduceMechanism();
}

6
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRG/DRG.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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -35,7 +35,7 @@ SourceFiles
#ifndef DRG_H
#define DRG_H
#include "chemistryReductionMethod.H"
#include "chemistryReduction.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -51,7 +51,7 @@ namespace chemistryReductionMethods
template<class ThermoType>
class DRG
:
public chemistryReductionMethod<ThermoType>
public chemistryReduction<ThermoType>
{
// Private Data

68
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRGEP/DRGEP.C
View File

@ -35,14 +35,16 @@ Foam::chemistryReductionMethods::DRGEP<ThermoType>::DRGEP
TDACChemistryModel<ThermoType>& chemistry
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry),
chemistryReduction<ThermoType>(dict, chemistry),
searchInitSet_(),
sC_(this->nSpecie_,0),
sH_(this->nSpecie_,0),
sO_(this->nSpecie_,0),
sN_(this->nSpecie_,0),
sC_(this->nSpecie(), 0),
sH_(this->nSpecie(), 0),
sO_(this->nSpecie(), 0),
sN_(this->nSpecie(), 0),
NGroupBased_(50)
{
chemistryReduction<ThermoType>::initReduceMechanism();
const wordHashSet initSet(this->coeffsDict_.lookup("initialSet"));
forAllConstIter(wordHashSet, initSet, iter)
{
@ -54,7 +56,7 @@ Foam::chemistryReductionMethods::DRGEP<ThermoType>::DRGEP
NGroupBased_ = this->coeffsDict_.template lookup<label>("NGroupBased");
}
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
const List<specieElement>& curSpecieComposition =
chemistry.mixture().specieComposition(i);
@ -110,26 +112,26 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
scalarField& completeC(this->chemistry_.completeC());
scalarField c1(this->chemistry_.nEqns(), 0.0);
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
c1[i] = c[i];
completeC[i] = c[i];
}
c1[this->nSpecie_] = T;
c1[this->nSpecie_+1] = p;
c1[this->nSpecie()] = T;
c1[this->nSpecie()+1] = p;
// Compute the rAB matrix
RectangularMatrix<scalar> rABNum(this->nSpecie_,this->nSpecie_,0.0);
scalarField PA(this->nSpecie_,0.0);
scalarField CA(this->nSpecie_,0.0);
RectangularMatrix<scalar> rABNum(this->nSpecie(),this->nSpecie(),0.0);
scalarField PA(this->nSpecie(),0.0);
scalarField CA(this->nSpecie(),0.0);
// Number of initialised rAB for each lines
Field<label> NbrABInit(this->nSpecie_,0);
Field<label> NbrABInit(this->nSpecie(),0);
// Position of the initialised rAB, -1 when not initialised
RectangularMatrix<label> rABPos(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<label> rABPos(this->nSpecie(), this->nSpecie(), -1);
// Index of the other species involved in the rABNum
RectangularMatrix<label> rABOtherSpec(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<label> rABOtherSpec(this->nSpecie(), this->nSpecie(), -1);
scalarField omegaV(this->chemistry_.reactions().size());
forAll(this->chemistry_.reactions(), i)
@ -151,7 +153,7 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
{
label ss = R.lhs()[s].index;
scalar sl = -R.lhs()[s].stoichCoeff; // vAi = v''-v' => here -v'
List<bool> deltaBi(this->nSpecie_, false);
List<bool> deltaBi(this->nSpecie(), false);
FIFOStack<label> usedIndex;
forAll(R.lhs(), j)
{
@ -211,7 +213,7 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
{
label ss = R.rhs()[s].index;
scalar sl = R.rhs()[s].stoichCoeff; // vAi = v''-v' => here v''
List<bool> deltaBi(this->nSpecie_, false);
List<bool> deltaBi(this->nSpecie(), false);
FIFOStack<label> usedIndex;
forAll(R.lhs(), j)
{
@ -305,7 +307,7 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
scalarList Ca(nElements,0.0);
// for (label q=0; q<SIS.size(); q++)
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
Pa[0] += sC_[i]*max(0.0,(PA[i]-CA[i]));
Ca[0] += sC_[i]*max(0.0,-(PA[i]-CA[i]));
@ -319,13 +321,13 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
// Using the rAB matrix (numerator and denominator separated)
// compute the R value according to the search initiating set
scalarField Rvalue(this->nSpecie_,0.0);
scalarField Rvalue(this->nSpecie(),0.0);
label speciesNumber = 0;
List<bool> disabledSpecies(this->nSpecie_,false);
List<bool> disabledSpecies(this->nSpecie(),false);
// set all species to inactive and activate them according
// to rAB and initial set
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
this->activeSpecies_[i] = false;
}
@ -453,7 +455,7 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
// Group-based reduction
// number of species disabled in the first step
label NDisabledSpecies(this->nSpecie_-speciesNumber);
label NDisabledSpecies(this->nSpecie()-speciesNumber);
// while the number of removed species is greater than NGroupBased, the rAB
// are reevaluated according to the group based definition for each loop the
@ -507,7 +509,7 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
{
label ss = R.lhs()[s].index;
scalar sl = -R.lhs()[s].stoichCoeff; // vAi = v''-v' => here -v'
List<bool> deltaBi(this->nSpecie_, false);
List<bool> deltaBi(this->nSpecie(), false);
bool alreadyDisabled(false);
FIFOStack<label> usedIndex;
forAll(R.lhs(), j)
@ -561,7 +563,7 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
{
label ss = R.rhs()[s].index;
scalar sl = R.rhs()[s].stoichCoeff; // vAi = v''-v' => here v''
List<bool> deltaBi(this->nSpecie_, false);
List<bool> deltaBi(this->nSpecie(), false);
bool alreadyDisabled(false);
FIFOStack<label> usedIndex;
forAll(R.lhs(), j)
@ -686,15 +688,15 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
}
}
this->NsSimp_ = speciesNumber;
this->nActiveSpecies_ = speciesNumber;
scalarField& simplifiedC(this->chemistry_.simplifiedC());
simplifiedC.setSize(this->NsSimp_+2);
simplifiedC.setSize(this->nActiveSpecies_+2);
DynamicList<label>& s2c(this->chemistry_.simplifiedToCompleteIndex());
s2c.setSize(this->NsSimp_);
s2c.setSize(this->nActiveSpecies_);
Field<label>& c2s(this->chemistry_.completeToSimplifiedIndex());
label j = 0;
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
if (this->activeSpecies_[i])
{
@ -711,12 +713,14 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
c2s[i] = -1;
}
}
simplifiedC[this->NsSimp_] = T;
simplifiedC[this->NsSimp_+1] = p;
this->chemistry_.setNsDAC(this->NsSimp_);
simplifiedC[this->nActiveSpecies_] = T;
simplifiedC[this->nActiveSpecies_+1] = p;
this->chemistry_.setNsDAC(this->nActiveSpecies_);
// change temporary Ns in chemistryModel
// to make the function nEqns working
this->chemistry_.setNSpecie(this->NsSimp_);
this->chemistry_.setNSpecie(this->nActiveSpecies_);
chemistryReduction<ThermoType>::endReduceMechanism();
}

6
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRGEP/DRGEP.H
View File

@ -103,7 +103,7 @@ SourceFiles
#ifndef DRGEP_H
#define DRGEP_H
#include "chemistryReductionMethod.H"
#include "chemistryReduction.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -113,13 +113,13 @@ namespace chemistryReductionMethods
{
/*---------------------------------------------------------------------------*\
Class ode Declaration
Class DRGEP Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class DRGEP
:
public chemistryReductionMethod<ThermoType>
public chemistryReduction<ThermoType>
{
// Private Data

62
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/EFA/EFA.C
View File

@ -35,14 +35,14 @@ Foam::chemistryReductionMethods::EFA<ThermoType>::EFA
TDACChemistryModel<ThermoType>& chemistry
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry),
sC_(this->nSpecie_,0),
sH_(this->nSpecie_,0),
sO_(this->nSpecie_,0),
sN_(this->nSpecie_,0),
chemistryReduction<ThermoType>(dict, chemistry),
sC_(this->nSpecie(),0),
sH_(this->nSpecie(),0),
sO_(this->nSpecie(),0),
sN_(this->nSpecie(),0),
sortPart_(0.05)
{
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
const List<specieElement>& curSpecieComposition =
chemistry.mixture().specieComposition(i);
@ -99,33 +99,35 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
const label li
)
{
chemistryReduction<ThermoType>::initReduceMechanism();
scalarField& completeC(this->chemistry_.completeC());
scalarField c1(this->chemistry_.nEqns(), 0.0);
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
c1[i] = c[i];
completeC[i] = c[i];
}
c1[this->nSpecie_] = T;
c1[this->nSpecie_+1] = p;
c1[this->nSpecie()] = T;
c1[this->nSpecie()+1] = p;
// Number of initialised rAB for each lines
Field<label> NbrABInit(this->nSpecie_,0);
Field<label> NbrABInit(this->nSpecie(),0);
// Position of the initialised rAB, -1 when not initialised
RectangularMatrix<label> rABPos(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<scalar> CFluxAB(this->nSpecie_, this->nSpecie_, 0.0);
RectangularMatrix<scalar> HFluxAB(this->nSpecie_, this->nSpecie_, 0.0);
RectangularMatrix<scalar> OFluxAB(this->nSpecie_, this->nSpecie_, 0.0);
RectangularMatrix<scalar> NFluxAB(this->nSpecie_, this->nSpecie_, 0.0);
RectangularMatrix<label> rABPos(this->nSpecie(), this->nSpecie(), -1);
RectangularMatrix<scalar> CFluxAB(this->nSpecie(), this->nSpecie(), 0.0);
RectangularMatrix<scalar> HFluxAB(this->nSpecie(), this->nSpecie(), 0.0);
RectangularMatrix<scalar> OFluxAB(this->nSpecie(), this->nSpecie(), 0.0);
RectangularMatrix<scalar> NFluxAB(this->nSpecie(), this->nSpecie(), 0.0);
scalar CFlux(0.0), HFlux(0.0), OFlux(0.0), NFlux(0.0);
label nbPairs(0);
// Index of the other species involved in the rABNum
RectangularMatrix<label> rABOtherSpec(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<label> rABOtherSpec(this->nSpecie(), this->nSpecie(), -1);
forAll(this->chemistry_.reactions(), i)
{
@ -243,7 +245,7 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
// Select species according to the total flux cutoff (1-tolerance)
// of the flux is included
label speciesNumber = 0;
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
this->activeSpecies_[i] = false;
}
@ -254,7 +256,7 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
labelList source(nbPairs);
labelList sink(nbPairs);
label nP(0);
for (int A=0; A<this->nSpecie_ ; A++)
for (int A=0; A<this->nSpecie() ; A++)
{
for (int j=0; j<NbrABInit[A]; j++)
{
@ -320,7 +322,7 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
labelList source(nbPairs);
labelList sink(nbPairs);
label nP(0);
for (int A=0; A<this->nSpecie_ ; A++)
for (int A=0; A<this->nSpecie() ; A++)
{
for (int j=0; j<NbrABInit[A]; j++)
{
@ -383,7 +385,7 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
labelList source(nbPairs);
labelList sink(nbPairs);
label nP(0);
for (int A=0; A<this->nSpecie_ ; A++)
for (int A=0; A<this->nSpecie() ; A++)
{
for (int j=0; j<NbrABInit[A]; j++)
{
@ -445,7 +447,7 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
labelList source(nbPairs);
labelList sink(nbPairs);
label nP(0);
for (int A=0; A<this->nSpecie_ ; A++)
for (int A=0; A<this->nSpecie() ; A++)
{
for (int j=0; j<NbrABInit[A]; j++)
{
@ -529,15 +531,15 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
}
}
this->NsSimp_ = speciesNumber;
this->nActiveSpecies_ = speciesNumber;
scalarField& simplifiedC(this->chemistry_.simplifiedC());
simplifiedC.setSize(this->NsSimp_+2);
simplifiedC.setSize(this->nActiveSpecies_+2);
DynamicList<label>& s2c(this->chemistry_.simplifiedToCompleteIndex());
s2c.setSize(this->NsSimp_);
s2c.setSize(this->nActiveSpecies_);
Field<label>& c2s(this->chemistry_.completeToSimplifiedIndex());
label j = 0;
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
if (this->activeSpecies_[i])
{
@ -554,12 +556,14 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
c2s[i] = -1;
}
}
simplifiedC[this->NsSimp_] = T;
simplifiedC[this->NsSimp_+1] = p;
this->chemistry_.setNsDAC(this->NsSimp_);
simplifiedC[this->nActiveSpecies_] = T;
simplifiedC[this->nActiveSpecies_+1] = p;
this->chemistry_.setNsDAC(this->nActiveSpecies_);
// change temporary Ns in chemistryModel
// to make the function nEqns working
this->chemistry_.setNSpecie(this->NsSimp_);
this->chemistry_.setNSpecie(this->nActiveSpecies_);
chemistryReduction<ThermoType>::endReduceMechanism();
}

8
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/EFA/EFA.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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -34,7 +34,7 @@ SourceFiles
#ifndef EFA_H
#define EFA_H
#include "chemistryReductionMethod.H"
#include "chemistryReduction.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -44,13 +44,13 @@ namespace chemistryReductionMethods
{
/*---------------------------------------------------------------------------*\
Class ode Declaration
Class EFA Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class EFA
:
public chemistryReductionMethod<ThermoType>
public chemistryReduction<ThermoType>
{
// Private Data

56
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/PFA/PFA.C
View File

@ -34,7 +34,7 @@ Foam::chemistryReductionMethods::PFA<ThermoType>::PFA
TDACChemistryModel<ThermoType>& chemistry
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry),
chemistryReduction<ThermoType>(dict, chemistry),
searchInitSet_()
{
const wordHashSet initSet(this->coeffsDict_.lookup("initialSet"));
@ -63,30 +63,32 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
const label li
)
{
chemistryReduction<ThermoType>::initReduceMechanism();
scalarField& completeC(this->chemistry_.completeC());
scalarField c1(this->chemistry_.nEqns(), 0.0);
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
c1[i] = c[i];
completeC[i] = c[i];
}
c1[this->nSpecie_] = T;
c1[this->nSpecie_+1] = p;
c1[this->nSpecie()] = T;
c1[this->nSpecie()+1] = p;
// Compute the rAB matrix
RectangularMatrix<scalar> PAB(this->nSpecie_,this->nSpecie_,0.0);
RectangularMatrix<scalar> CAB(this->nSpecie_,this->nSpecie_,0.0);
scalarField PA(this->nSpecie_,0.0);
scalarField CA(this->nSpecie_,0.0);
RectangularMatrix<scalar> PAB(this->nSpecie(),this->nSpecie(),0.0);
RectangularMatrix<scalar> CAB(this->nSpecie(),this->nSpecie(),0.0);
scalarField PA(this->nSpecie(),0.0);
scalarField CA(this->nSpecie(),0.0);
// Number of initialised rAB for each lines
Field<label> NbrABInit(this->nSpecie_,0);
Field<label> NbrABInit(this->nSpecie(),0);
// Position of the initialised rAB, -1 when not initialised
RectangularMatrix<label> rABPos(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<label> rABPos(this->nSpecie(), this->nSpecie(), -1);
// Index of the other species involved in the rABNum
RectangularMatrix<label> rABOtherSpec(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<label> rABOtherSpec(this->nSpecie(), this->nSpecie(), -1);
forAll(this->chemistry_.reactions(), i)
{
@ -149,7 +151,7 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
{
label curID = wAID[id];
scalar curwA = wA[id];
List<bool> deltaBi(this->nSpecie_, false);
List<bool> deltaBi(this->nSpecie(), false);
FIFOStack<label> usedIndex;
forAll(R.lhs(),j)
{
@ -236,19 +238,19 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
// is a connection of second generation and it will be aggregated in the
// final step to evaluate the total connection strength (or path flux).
// Compute rsecond=rAri*rriB with A!=ri!=B
RectangularMatrix<scalar> PAB2nd(this->nSpecie_,this->nSpecie_,0.0);
RectangularMatrix<scalar> CAB2nd(this->nSpecie_,this->nSpecie_,0.0);
RectangularMatrix<scalar> PAB2nd(this->nSpecie(),this->nSpecie(),0.0);
RectangularMatrix<scalar> CAB2nd(this->nSpecie(),this->nSpecie(),0.0);
// Number of initialised rAB for each lines
Field<label> NbrABInit2nd(this->nSpecie_, 0);
Field<label> NbrABInit2nd(this->nSpecie(), 0);
// Position of the initialised rAB, -1 when not initialised
RectangularMatrix<label> rABPos2nd(this->nSpecie_, this->nSpecie_, -1);
RectangularMatrix<label> rABPos2nd(this->nSpecie(), this->nSpecie(), -1);
// Index of the other species involved in the rABNum
RectangularMatrix<label> rABOtherSpec2nd
(
this->nSpecie_, this->nSpecie_, -1
this->nSpecie(), this->nSpecie(), -1
);
forAll(NbrABInit, A)
@ -291,7 +293,7 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
// set all species to inactive and activate them according
// to rAB and initial set
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
this->activeSpecies_[i] = false;
}
@ -388,15 +390,15 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
}
}
this->NsSimp_ = speciesNumber;
this->nActiveSpecies_ = speciesNumber;
scalarField& simplifiedC(this->chemistry_.simplifiedC());
simplifiedC.setSize(this->NsSimp_+2);
simplifiedC.setSize(this->nActiveSpecies_+2);
DynamicList<label>& s2c(this->chemistry_.simplifiedToCompleteIndex());
s2c.setSize(this->NsSimp_);
s2c.setSize(this->nActiveSpecies_);
Field<label>& c2s(this->chemistry_.completeToSimplifiedIndex());
label j = 0;
for (label i=0; i<this->nSpecie_; i++)
for (label i=0; i<this->nSpecie(); i++)
{
if (this->activeSpecies_[i])
{
@ -413,12 +415,14 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
c2s[i] = -1;
}
}
simplifiedC[this->NsSimp_] = T;
simplifiedC[this->NsSimp_+1] = p;
this->chemistry_.setNsDAC(this->NsSimp_);
simplifiedC[this->nActiveSpecies_] = T;
simplifiedC[this->nActiveSpecies_+1] = p;
this->chemistry_.setNsDAC(this->nActiveSpecies_);
// change temporary Ns in chemistryModel
// to make the function nEqns working
this->chemistry_.setNSpecie(this->NsSimp_);
this->chemistry_.setNSpecie(this->nActiveSpecies_);
chemistryReduction<ThermoType>::endReduceMechanism();
}

8
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/PFA/PFA.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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -35,7 +35,7 @@ SourceFiles
#ifndef PFA_H
#define PFA_H
#include "chemistryReductionMethod.H"
#include "chemistryReduction.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -45,13 +45,13 @@ namespace chemistryReductionMethods
{
/*---------------------------------------------------------------------------*\
Class ode Declaration
Class PFA Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class PFA
:
public chemistryReductionMethod<ThermoType>
public chemistryReduction<ThermoType>
{
// Private Data

112
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/chemistryReduction/chemistryReduction.C Normal file
View File

@ -0,0 +1,112 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 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 "chemistryReduction.H"
#include "TDACChemistryModel.H"
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::chemistryReduction<ThermoType>::chemistryReduction
(
const Foam::IOdictionary& dict,
Foam::TDACChemistryModel<ThermoType>& chemistry
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry),
coeffsDict_(dict.subDict("reduction")),
chemistry_(chemistry),
activeSpecies_(chemistry.nSpecie(), false),
log_(coeffsDict_.lookupOrDefault<Switch>("log", false)),
tolerance_(coeffsDict_.lookupOrDefault<scalar>("tolerance", 1e-4)),
clockTime_(clockTime()),
sumnActiveSpecies_(0),
sumn_(0),
reduceMechCpuTime_(0)
{
if (log_)
{
cpuReduceFile_ = chemistry.logFile("cpu_reduce.out");
nActiveSpeciesFile_ = chemistry.logFile("nActiveSpecies.out");
}
}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::chemistryReduction<ThermoType>::~chemistryReduction()
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
void Foam::chemistryReduction<ThermoType>::initReduceMechanism()
{
if (log_)
{
clockTime_.timeIncrement();
}
}
template<class ThermoType>
void Foam::chemistryReduction<ThermoType>::endReduceMechanism()
{
if (log_)
{
sumnActiveSpecies_ += this->nActiveSpecies_;
sumn_++;
reduceMechCpuTime_ += clockTime_.timeIncrement();
}
}
template<class ThermoType>
void Foam::chemistryReduction<ThermoType>::update()
{
if (log_)
{
cpuReduceFile_()
<< this->chemistry_.time().timeOutputValue()
<< " " << reduceMechCpuTime_ << endl;
if (sumn_)
{
// Write average number of species
nActiveSpeciesFile_()
<< this->chemistry_.time().timeOutputValue()
<< " " << sumnActiveSpecies_/sumn_ << endl;
}
sumnActiveSpecies_ = 0;
sumn_ = 0;
reduceMechCpuTime_ = 0;
}
}
// ************************************************************************* //

156
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/chemistryReduction/chemistryReduction.H Normal file
View File

@ -0,0 +1,156 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 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/>.
Class
Foam::chemistryReduction
Description
An abstract class for methods of chemical mechanism reduction
SourceFiles
chemistryReduction.C
\*---------------------------------------------------------------------------*/
#ifndef chemistryReduction_H
#define chemistryReduction_H
#include "chemistryReductionMethod.H"
#include "Switch.H"
#include "int64.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
/*---------------------------------------------------------------------------*\
Class chemistrySolver Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class chemistryReduction
:
public chemistryReductionMethod<ThermoType>
{
protected:
// Protected Data
//- Dictionary that store the algorithm data
const dictionary coeffsDict_;
TDACChemistryModel<ThermoType>& chemistry_;
//- List of active species (active = true)
List<bool> activeSpecies_;
void initReduceMechanism();
void endReduceMechanism();
private:
//- Switch to select performance logging
Switch log_;
//- Tolerance for the mechanism reduction algorithm
scalar tolerance_;
const clockTime clockTime_;
int64_t sumnActiveSpecies_;
int64_t sumn_;
scalar reduceMechCpuTime_;
// Log file for the average time spent reducing the chemistry
autoPtr<OFstream> cpuReduceFile_;
// Write average number of species
autoPtr<OFstream> nActiveSpeciesFile_;
public:
// Constructors
//- Construct from components
chemistryReduction
(
const IOdictionary& dict,
TDACChemistryModel<ThermoType>& chemistry
);
//- Destructor
virtual ~chemistryReduction();
// Member Functions
//- Return mechanism reduction active
virtual bool active() const
{
return true;
}
//- Return the tolerance
inline scalar tolerance() const;
//- Return the active species
inline const List<bool>& activeSpecies() const;
//- Reduce the mechanism
virtual void reduceMechanism
(
const scalar p,
const scalar T,
const scalarField& c,
const label li
) = 0;
virtual void update();
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "chemistryReductionI.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#ifdef NoRepository
#include "chemistryReduction.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

53
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/chemistryReduction/chemistryReductionI.H Normal file
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@ -0,0 +1,53 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 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/>.
Class
Foam::chemistryReduction
Description
An abstract class for reducing chemical mechanism
SourceFiles
chemistryReduction.C
\*---------------------------------------------------------------------------*/
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
inline Foam::scalar
Foam::chemistryReduction<ThermoType>::tolerance() const
{
return tolerance_;
}
template<class ThermoType>
inline const Foam::List<bool>&
Foam::chemistryReduction<ThermoType>::activeSpecies() const
{
return activeSpecies_;
}
// ************************************************************************* //

11
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/chemistryReductionMethod/chemistryReductionMethod.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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -35,15 +35,8 @@ Foam::chemistryReductionMethod<ThermoType>::chemistryReductionMethod
Foam::TDACChemistryModel<ThermoType>& chemistry
)
:
dict_(dict),
coeffsDict_(dict.subDict("reduction")),
active_(coeffsDict_.lookupOrDefault<Switch>("active", false)),
log_(coeffsDict_.lookupOrDefault<Switch>("log", false)),
chemistry_(chemistry),
activeSpecies_(chemistry.nSpecie(), false),
NsSimp_(chemistry.nSpecie()),
nSpecie_(chemistry.nSpecie()),
tolerance_(coeffsDict_.lookupOrDefault<scalar>("tolerance", 1e-4))
nActiveSpecies_(chemistry.nSpecie())
{}

51
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/chemistryReductionMethod/chemistryReductionMethod.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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -36,7 +36,6 @@ SourceFiles
#define chemistryReductionMethod_H
#include "IOdictionary.H"
#include "Switch.H"
#include "scalarField.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -54,33 +53,18 @@ class TDACChemistryModel;
template<class ThermoType>
class chemistryReductionMethod
{
// Private Data
//- Cache the number of species
const label nSpecie_;
protected:
const IOdictionary& dict_;
// Protected Data
//- Dictionary that store the algorithm data
const dictionary coeffsDict_;
//- Is mechanism reduction active?
Switch active_;
//- Switch to select performance logging
Switch log_;
TDACChemistryModel<ThermoType>& chemistry_;
//- List of active species (active = true)
List<bool> activeSpecies_;
//- Number of active species
label NsSimp_;
//- Number of species
const label nSpecie_;
//- Tolerance for the mechanism reduction algorithm
scalar tolerance_;
//- Number of active species
label nActiveSpecies_;
public:
@ -129,19 +113,13 @@ public:
// Member Functions
//- Is mechanism reduction active?
inline bool active() const;
virtual bool active() const = 0;
//- Is performance data logging enabled?
inline bool log() const;
//- Return the active species
inline const List<bool>& activeSpecies() const;
//- Return the number of species
inline label nSpecie();
//- Return the number of active species
inline label NsSimp();
//- Return the initial number of species
inline label nSpecie();
inline label nActiveSpecies();
//- Return the tolerance
inline scalar tolerance() const;
@ -154,8 +132,11 @@ public:
const scalarField& c,
const label li
) = 0;
virtual void update() = 0;
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam

35
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/chemistryReductionMethod/chemistryReductionMethodI.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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -35,30 +35,9 @@ SourceFiles
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
inline bool Foam::chemistryReductionMethod<ThermoType>::active() const
inline Foam::label Foam::chemistryReductionMethod<ThermoType>::nActiveSpecies()
{
return active_;
}
template<class ThermoType>
inline bool Foam::chemistryReductionMethod<ThermoType>::log() const
{
return active_ && log_;
}
template<class ThermoType>
inline const Foam::List<bool>&
Foam::chemistryReductionMethod<ThermoType>::activeSpecies() const
{
return activeSpecies_;
}
template<class ThermoType>
inline Foam::label Foam::chemistryReductionMethod<ThermoType>::NsSimp()
{
return NsSimp_;
return nActiveSpecies_;
}
@ -69,12 +48,4 @@ inline Foam::label Foam::chemistryReductionMethod<ThermoType>::nSpecie()
}
template<class ThermoType>
inline Foam::scalar
Foam::chemistryReductionMethod<ThermoType>::tolerance() const
{
return tolerance_;
}
// ************************************************************************* //

89
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -24,6 +24,7 @@ License
\*---------------------------------------------------------------------------*/
#include "chemistryReductionMethod.H"
#include "noChemistryReduction.H"
#include "Time.H"
// * * * * * * * * * * * * * * * * Selectors * * * * * * * * * * * * * * * * //
@ -36,53 +37,67 @@ Foam::chemistryReductionMethod<ThermoType>::New
TDACChemistryModel<ThermoType>& chemistry
)
{
const dictionary& reductionDict(dict.subDict("reduction"));
const word methodName(reductionDict.lookup("method"));
Info<< "Selecting chemistry reduction method " << methodName << endl;
const word methodTypeName =
methodName + '<' + ThermoType::typeName() + '>';
typename dictionaryConstructorTable::iterator cstrIter =
dictionaryConstructorTablePtr_->find(methodTypeName);
if (cstrIter == dictionaryConstructorTablePtr_->end())
if (dict.found("reduction"))
{
FatalErrorInFunction
<< "Unknown " << typeName_() << " type " << methodName << endl
<< endl;
const dictionary& reductionDict(dict.subDict("reduction"));
const wordList names(dictionaryConstructorTablePtr_->sortedToc());
const word methodName(reductionDict.lookup("method"));
wordList thisCmpts;
thisCmpts.append(word::null);
thisCmpts.append
(
basicThermo::splitThermoName(ThermoType::typeName(), 5)
);
Info<< "Selecting chemistry reduction method " << methodName << endl;
wordList validNames;
forAll(names, i)
const word methodTypeName =
methodName + '<' + ThermoType::typeName() + '>';
typename dictionaryConstructorTable::iterator cstrIter =
dictionaryConstructorTablePtr_->find(methodTypeName);
if (cstrIter == dictionaryConstructorTablePtr_->end())
{
const wordList cmpts(basicThermo::splitThermoName(names[i], 6));
FatalErrorInFunction
<< "Unknown " << typeName_() << " type " << methodName << endl
<< endl;
if (SubList<word>(cmpts, 5, 1) == SubList<word>(thisCmpts, 5, 1))
const wordList names(dictionaryConstructorTablePtr_->sortedToc());
wordList thisCmpts;
thisCmpts.append(word::null);
thisCmpts.append
(
basicThermo::splitThermoName(ThermoType::typeName(), 5)
);
wordList validNames;
forAll(names, i)
{
validNames.append(cmpts[0]);
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
<< exit(FatalError);
}
FatalErrorInFunction
<< "Valid " << typeName_() << " types are:" << validNames << endl
<< exit(FatalError);
return autoPtr<chemistryReductionMethod<ThermoType>>
(
cstrIter()(dict, chemistry)
);
}
else
{
return autoPtr<chemistryReductionMethod<ThermoType>>
(
new chemistryReductionMethods::none<ThermoType>(dict, chemistry)
);
}
return autoPtr<chemistryReductionMethod<ThermoType>>
(
cstrIter()(dict, chemistry)
);
}

6
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/noChemistryReduction/noChemistryReduction.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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -35,9 +35,7 @@ Foam::chemistryReductionMethods::none<ThermoType>::none
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry)
{
this->active_ = false;
}
{}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //

13
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/noChemistryReduction/noChemistryReduction.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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -25,6 +25,8 @@ Class
Foam::chemistryReductionMethods::none
Description
A chemistryReductionMethod which does nothing to allow reduction to be
switched-off.
SourceFiles
noChemistryReduction.C
@ -75,6 +77,12 @@ public:
// Member Functions
//- Return mechanism reduction inactive
virtual bool active() const
{
return false;
}
//- Reduce the mechanism
virtual void reduceMechanism
(
@ -83,6 +91,9 @@ public:
const scalarField& c,
const label li
);
virtual void update()
{}
};

204
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C
View File

@ -40,71 +40,95 @@ Foam::chemistryTabulationMethods::ISAT<ThermoType>::ISAT
chemistryProperties,
chemistry
),
chemisTree_(chemistry, this->coeffsDict_),
coeffsDict_(chemistryProperties.subDict("tabulation")),
chemistry_(chemistry),
log_(coeffsDict_.lookupOrDefault<Switch>("log", false)),
chemisTree_(*this, coeffsDict_),
scaleFactor_(chemistry.nEqns() + 1, 1),
runTime_(chemistry.time()),
timeSteps_(0),
chPMaxLifeTime_
(
this->coeffsDict_.lookupOrDefault("chPMaxLifeTime", INT_MAX)
coeffsDict_.lookupOrDefault("chPMaxLifeTime", INT_MAX)
),
maxGrowth_(this->coeffsDict_.lookupOrDefault("maxGrowth", INT_MAX)),
maxGrowth_(coeffsDict_.lookupOrDefault("maxGrowth", INT_MAX)),
checkEntireTreeInterval_
(
this->coeffsDict_.lookupOrDefault("checkEntireTreeInterval", INT_MAX)
coeffsDict_.lookupOrDefault("checkEntireTreeInterval", INT_MAX)
),
maxDepthFactor_
(
this->coeffsDict_.lookupOrDefault
coeffsDict_.lookupOrDefault
(
"maxDepthFactor",
(chemisTree_.maxNLeafs() - 1)
/(log(scalar(chemisTree_.maxNLeafs()))/log(2.0))
/(Foam::log(scalar(chemisTree_.maxNLeafs()))/Foam::log(2.0))
)
),
minBalanceThreshold_
(
this->coeffsDict_.lookupOrDefault
coeffsDict_.lookupOrDefault
(
"minBalanceThreshold", 0.1*chemisTree_.maxNLeafs()
)
),
MRURetrieve_(this->coeffsDict_.lookupOrDefault("MRURetrieve", false)),
maxMRUSize_(this->coeffsDict_.lookupOrDefault("maxMRUSize", 0)),
MRURetrieve_(coeffsDict_.lookupOrDefault("MRURetrieve", false)),
maxMRUSize_(coeffsDict_.lookupOrDefault("maxMRUSize", 0)),
lastSearch_(nullptr),
growPoints_(this->coeffsDict_.lookupOrDefault("growPoints", true)),
growPoints_(coeffsDict_.lookupOrDefault("growPoints", true)),
tolerance_(coeffsDict_.lookupOrDefault("tolerance", 1e-4)),
nRetrieved_(0),
nGrowth_(0),
nAdd_(0),
addNewLeafCpuTime_(0),
growCpuTime_(0),
searchISATCpuTime_(0),
clockTime_(clockTime()),
tabulationResults_
(
IOobject
(
chemistry.thermo().phasePropertyName("TabulationResults"),
chemistry.time().timeName(),
chemistry.mesh(),
IOobject::NO_READ,
IOobject::AUTO_WRITE
),
chemistry.mesh(),
scalar(0)
),
cleaningRequired_(false)
{
if (this->active_)
dictionary scaleDict(coeffsDict_.subDict("scaleFactor"));
label Ysize = chemistry_.Y().size();
scalar otherScaleFactor = scaleDict.lookup<scalar>("otherSpecies");
for (label i=0; i<Ysize; i++)
{
dictionary scaleDict(this->coeffsDict_.subDict("scaleFactor"));
label Ysize = this->chemistry_.Y().size();
scalar otherScaleFactor = scaleDict.lookup<scalar>("otherSpecies");
for (label i=0; i<Ysize; i++)
if (!scaleDict.found(chemistry_.Y()[i].member()))
{
if (!scaleDict.found(this->chemistry_.Y()[i].member()))
{
scaleFactor_[i] = otherScaleFactor;
}
else
{
scaleFactor_[i] =
scaleDict.lookup<scalar>(this->chemistry_.Y()[i].member());
}
scaleFactor_[i] = otherScaleFactor;
}
else
{
scaleFactor_[i] =
scaleDict.lookup<scalar>(chemistry_.Y()[i].member());
}
scaleFactor_[Ysize] = scaleDict.lookup<scalar>("Temperature");
scaleFactor_[Ysize + 1] = scaleDict.lookup<scalar>("Pressure");
scaleFactor_[Ysize + 2] = scaleDict.lookup<scalar>("deltaT");
}
scaleFactor_[Ysize] = scaleDict.lookup<scalar>("Temperature");
scaleFactor_[Ysize + 1] = scaleDict.lookup<scalar>("Pressure");
scaleFactor_[Ysize + 2] = scaleDict.lookup<scalar>("deltaT");
if (this->log())
if (log_)
{
nRetrievedFile_ = chemistry.logFile("found_isat.out");
nGrowthFile_ = chemistry.logFile("growth_isat.out");
nAddFile_ = chemistry.logFile("add_isat.out");
sizeFile_ = chemistry.logFile("size_isat.out");
cpuAddFile_ = chemistry.logFile("cpu_add.out");
cpuGrowFile_ = chemistry.logFile("cpu_grow.out");
cpuRetrieveFile_ = chemistry.logFile("cpu_retrieve.out");
}
}
@ -174,8 +198,8 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::calcNewC
scalarField& Rphiq
)
{
label nEqns = this->chemistry_.nEqns(); // Species, T, p
bool mechRedActive = this->chemistry_.mechRed()->active();
label nEqns = chemistry_.nEqns(); // Species, T, p
bool mechRedActive = chemistry_.mechRed()->active();
Rphiq = phi0->Rphi();
scalarField dphi(phiq-phi0->phi());
const scalarSquareMatrix& gradientsMatrix = phi0->A();
@ -285,7 +309,7 @@ Foam::chemistryTabulationMethods::ISAT<ThermoType>::cleanAndBalance()
chemPointISAT<ThermoType>* xtmp =
chemisTree_.treeSuccessor(x);
scalar elapsedTimeSteps = this->chemistry_.timeSteps() - x->timeTag();
scalar elapsedTimeSteps = timeSteps() - x->timeTag();
if ((elapsedTimeSteps > chPMaxLifeTime_) || (x->nGrowth() > maxGrowth_))
{
@ -304,7 +328,7 @@ Foam::chemistryTabulationMethods::ISAT<ThermoType>::cleanAndBalance()
(
chemisTree_.size() > minBalanceThreshold_
&& chemisTree_.depth() >
maxDepthFactor_*log(scalar(chemisTree_.size()))/log(2.0)
maxDepthFactor_*Foam::log(scalar(chemisTree_.size()))/Foam::log(2.0)
)
{
chemisTree_.balance();
@ -327,17 +351,17 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::computeA
const scalar dt
)
{
bool mechRedActive = this->chemistry_.mechRed()->active();
label speciesNumber = this->chemistry_.nSpecie();
scalarField Rcq(this->chemistry_.nEqns() + 1);
bool mechRedActive = chemistry_.mechRed()->active();
label speciesNumber = chemistry_.nSpecie();
scalarField Rcq(chemistry_.nEqns() + 1);
for (label i=0; i<speciesNumber; i++)
{
label s2c = i;
if (mechRedActive)
{
s2c = this->chemistry_.simplifiedToCompleteIndex()[i];
s2c = chemistry_.simplifiedToCompleteIndex()[i];
}
Rcq[i] = rhoi*Rphiq[s2c]/this->chemistry_.specieThermos()[s2c].W();
Rcq[i] = rhoi*Rphiq[s2c]/chemistry_.specieThermos()[s2c].W();
}
Rcq[speciesNumber] = Rphiq[Rphiq.size() - 3];
Rcq[speciesNumber + 1] = Rphiq[Rphiq.size() - 2];
@ -353,7 +377,7 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::computeA
// A = C(psi0,t0)/(I-dt*J(psi(t0+dt)))
// where C(psi0,t0) = I
scalarField dcdt(speciesNumber + 2, Zero);
this->chemistry_.jacobian(runTime_.value(), Rcq, li, dcdt, A);
chemistry_.jacobian(runTime_.value(), Rcq, li, dcdt, A);
// The jacobian is computed according to the molar concentration
// the following conversion allows the code to use A with mass fraction
@ -363,7 +387,7 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::computeA
if (mechRedActive)
{
si = this->chemistry_.simplifiedToCompleteIndex()[i];
si = chemistry_.simplifiedToCompleteIndex()[i];
}
for (label j=0; j<speciesNumber; j++)
@ -371,19 +395,19 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::computeA
label sj = j;
if (mechRedActive)
{
sj = this->chemistry_.simplifiedToCompleteIndex()[j];
sj = chemistry_.simplifiedToCompleteIndex()[j];
}
A(i, j) *=
-dt*this->chemistry_.specieThermos()[si].W()
/this->chemistry_.specieThermos()[sj].W();
-dt*chemistry_.specieThermos()[si].W()
/chemistry_.specieThermos()[sj].W();
}
A(i, i) += 1;
// Columns for pressure and temperature
A(i, speciesNumber) *=
-dt*this->chemistry_.specieThermos()[si].W()/rhoi;
-dt*chemistry_.specieThermos()[si].W()/rhoi;
A(i, speciesNumber + 1) *=
-dt*this->chemistry_.specieThermos()[si].W()/rhoi;
-dt*chemistry_.specieThermos()[si].W()/rhoi;
}
// For the temperature and pressure lines, ddc(dTdt)
@ -393,13 +417,13 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::computeA
label si = i;
if (mechRedActive)
{
si = this->chemistry_.simplifiedToCompleteIndex()[i];
si = chemistry_.simplifiedToCompleteIndex()[i];
}
A(speciesNumber, i) *=
-dt*rhoi/this->chemistry_.specieThermos()[si].W();
-dt*rhoi/chemistry_.specieThermos()[si].W();
A(speciesNumber + 1, i) *=
-dt*rhoi/this->chemistry_.specieThermos()[si].W();
-dt*rhoi/chemistry_.specieThermos()[si].W();
}
A(speciesNumber, speciesNumber) = -dt*A(speciesNumber, speciesNumber) + 1;
@ -433,6 +457,11 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
scalarField& Rphiq
)
{
if (log_)
{
clockTime_.timeIncrement();
}
bool retrieved(false);
chemPointISAT<ThermoType>* phi0;
@ -482,8 +511,7 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
if (retrieved)
{
phi0->increaseNumRetrieve();
scalar elapsedTimeSteps =
this->chemistry_.timeSteps() - phi0->timeTag();
scalar elapsedTimeSteps = timeSteps() - phi0->timeTag();
// Raise a flag when the chemPoint has been used more than the allowed
// number of time steps
@ -492,7 +520,7 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
cleaningRequired_ = true;
phi0->toRemove() = true;
}
lastSearch_->lastTimeUsed() = this->chemistry_.timeSteps();
lastSearch_->lastTimeUsed() = timeSteps();
addToMRU(phi0);
calcNewC(phi0, phiq, Rphiq);
nRetrieved_++;
@ -504,6 +532,11 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
// or if the tree is empty
return false;
}
if (log_)
{
searchISATCpuTime_ += clockTime_.timeIncrement();
}
}
@ -517,7 +550,13 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
const scalar deltaT
)
{
if (log_)
{
clockTime_.timeIncrement();
}
label growthOrAddFlag = 1;
// If lastSearch_ holds a valid pointer to a chemPoint AND the growPoints_
// option is on, the code first tries to grow the point hold by lastSearch_
if (lastSearch_ && growPoints_)
@ -527,7 +566,15 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
nGrowth_++;
growthOrAddFlag = 0;
addToMRU(lastSearch_);
//the structure of the tree is not modified, return false
tabulationResults_[li] = 1;
if (log_)
{
growCpuTime_ += clockTime_.timeIncrement();
}
// the structure of the tree is not modified, return false
return growthOrAddFlag;
}
}
@ -575,7 +622,7 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
tempList[i]->Rphi(),
tempList[i]->A(),
scaleFactor(),
this->tolerance(),
tolerance_,
scaleFactor_.size(),
nulPhi
);
@ -589,7 +636,7 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
}
// Compute the A matrix needed to store the chemPoint.
label ASize = this->chemistry_.nEqns() + 1;
label ASize = chemistry_.nEqns() + 1;
scalarSquareMatrix A(ASize, Zero);
computeA(A, Rphiq, li, rho, deltaT);
@ -599,7 +646,7 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
Rphiq,
A,
scaleFactor(),
this->tolerance(),
tolerance_,
scaleFactor_.size(),
lastSearch_ // lastSearch_ may be nullptr (handled by binaryTree)
);
@ -609,6 +656,13 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
}
nAdd_++;
tabulationResults_[li] = 0;
if (log_)
{
addNewLeafCpuTime_ += clockTime_.timeIncrement();
}
return growthOrAddFlag;
}
@ -616,7 +670,7 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
template<class ThermoType>
void Foam::chemistryTabulationMethods::ISAT<ThermoType>::writePerformance()
{
if (this->log())
if (log_)
{
nRetrievedFile_()
<< runTime_.timeOutputValue() << " " << nRetrieved_ << endl;
@ -631,9 +685,47 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::writePerformance()
nAdd_ = 0;
sizeFile_()
<< runTime_.timeOutputValue() << " " << this->size() << endl;
<< runTime_.timeOutputValue() << " "
<< chemisTree_.size() << endl;
cpuRetrieveFile_()
<< runTime_.timeOutputValue()
<< " " << searchISATCpuTime_ << endl;
searchISATCpuTime_ = 0;
cpuGrowFile_()
<< runTime_.timeOutputValue()
<< " " << growCpuTime_ << endl;
growCpuTime_ = 0;
cpuAddFile_()
<< runTime_.timeOutputValue()
<< " " << addNewLeafCpuTime_ << endl;
addNewLeafCpuTime_ = 0;
}
}
template<class ThermoType>
void Foam::chemistryTabulationMethods::ISAT<ThermoType>::reset()
{
// Increment counter of time-step
timeSteps_++;
forAll(tabulationResults_, i)
{
tabulationResults_[i] = 2;
}
}
template<class ThermoType>
bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::update()
{
bool updated = cleanAndBalance();
writePerformance();
return updated;
}
// ************************************************************************* //

55
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.H
View File

@ -61,6 +61,13 @@ class ISAT
{
// Private Data
const dictionary coeffsDict_;
TDACChemistryModel<ThermoType>& chemistry_;
//- Switch to select performance logging
Switch log_;
//- List of the stored 'points' organised in a binary tree
binaryTree<ThermoType> chemisTree_;
@ -69,6 +76,8 @@ class ISAT
const Time& runTime_;
label timeSteps_;
//- Lifetime (number of time steps) of a stored point
label chPMaxLifeTime_;
@ -100,16 +109,38 @@ class ISAT
//- Switch to allow growth (on by default)
Switch growPoints_;
scalar tolerance_;
// Statistics on ISAT usage
label nRetrieved_;
label nGrowth_;
label nAdd_;
scalar addNewLeafCpuTime_;
scalar growCpuTime_;
scalar searchISATCpuTime_;
const clockTime clockTime_;
autoPtr<OFstream> nRetrievedFile_;
autoPtr<OFstream> nGrowthFile_;
autoPtr<OFstream> nAddFile_;
autoPtr<OFstream> sizeFile_;
//- Log file for the average time spent adding tabulated data
autoPtr<OFstream> cpuAddFile_;
//- Log file for the average time spent growing tabulated data
autoPtr<OFstream> cpuGrowFile_;
//- Log file for the average time spent retrieving tabulated data
autoPtr<OFstream> cpuRetrieveFile_;
// Field containing information about tabulation:
// 0 -> add (direct integration)
// 1 -> grow
// 2 -> retrieve
volScalarField::Internal tabulationResults_;
bool cleaningRequired_;
@ -196,6 +227,17 @@ public:
// Member Functions
//- Return true as this tabulation method tabulates
virtual bool tabulates()
{
return true;
}
TDACChemistryModel<ThermoType>& chemistry()
{
return chemistry_;
}
inline binaryTree<ThermoType>& chemisTree()
{
return chemisTree_;
@ -206,10 +248,10 @@ public:
return scaleFactor_;
}
//- Return the size of the binary tree
virtual inline label size()
//- Return the number of chemistry evaluations
inline label timeSteps() const
{
return chemisTree_.size();
return timeSteps_;
}
virtual void writePerformance();
@ -235,10 +277,9 @@ public:
const scalar deltaT
);
virtual bool update()
{
return cleanAndBalance();
}
virtual void reset();
virtual bool update();
};

14
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryTree/binaryTree.C
View File

@ -337,11 +337,11 @@ void Foam::binaryTree<ThermoType>::deleteAllNode(bn* subTreeRoot)
template<class ThermoType>
Foam::binaryTree<ThermoType>::binaryTree
(
TDACChemistryModel<ThermoType>& chemistry,
chemistryTabulationMethods::ISAT<ThermoType>& table,
dictionary coeffsDict
)
:
chemistry_(chemistry),
table_(table),
root_(nullptr),
maxNLeafs_(coeffsDict.lookup<label>("maxNLeafs")),
size_(0),
@ -394,7 +394,7 @@ void Foam::binaryTree<ThermoType>::insertNewLeaf
chP* newChemPoint =
new chP
(
chemistry_,
table_,
phiq,
Rphiq,
A,
@ -404,7 +404,7 @@ void Foam::binaryTree<ThermoType>::insertNewLeaf
coeffsDict_,
root_
);
root_->leafLeft()=newChemPoint;
root_->leafLeft() = newChemPoint;
}
else // at least one point stored
{
@ -421,7 +421,7 @@ void Foam::binaryTree<ThermoType>::insertNewLeaf
chP* newChemPoint =
new chP
(
chemistry_,
table_,
phiq,
Rphiq,
A,
@ -634,7 +634,7 @@ void Foam::binaryTree<ThermoType>::deleteLeaf(chP*& phi0)
template<class ThermoType>
void Foam::binaryTree<ThermoType>::balance()
{
scalarField mean(chemistry_.nEqns(),0.0);
scalarField mean(table_.chemistry().nEqns(), 0.0);
//1) walk through the entire tree by starting with the tree's most left
// chemPoint
@ -652,7 +652,7 @@ void Foam::binaryTree<ThermoType>::balance()
mean /= size_;
//3) compute the variance for each space direction
List<scalar> variance(chemistry_.nEqns(),0.0);
List<scalar> variance(table_.chemistry().nEqns(),0.0);
forAll(chemPoints, j)
{
const scalarField& phij = chemPoints[j]->phi();

11
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryTree/binaryTree.H
View File

@ -51,8 +51,9 @@ Description
namespace Foam
{
template<class ThermoType>
class TDACChemistryModel;
/*---------------------------------------------------------------------------*\
Class binaryTree Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class binaryTree
@ -69,8 +70,8 @@ private:
// Private Data
//- Reference to the chemistryModel
TDACChemistryModel<ThermoType>& chemistry_;
//- Reference to the ISAT table
chemistryTabulationMethods::ISAT<ThermoType>& table_;
//- Root node of the binary tree
bn *root_;
@ -134,7 +135,7 @@ public:
//- Construct from dictionary and chemistryOnLineLibrary
binaryTree
(
TDACChemistryModel<ThermoType>& chemistry,
chemistryTabulationMethods::ISAT<ThermoType>& table,
dictionary coeffsDict
);

32
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C
View File

@ -199,7 +199,7 @@ void Foam::chemPointISAT<ThermoType>::rotate
template<class ThermoType>
Foam::chemPointISAT<ThermoType>::chemPointISAT
(
TDACChemistryModel<ThermoType>& chemistry,
chemistryTabulationMethods::ISAT<ThermoType>& table,
const scalarField& phi,
const scalarField& Rphi,
const scalarSquareMatrix& A,
@ -210,7 +210,7 @@ Foam::chemPointISAT<ThermoType>::chemPointISAT
binaryNode<ThermoType>* node
)
:
chemistry_(chemistry),
table_(table),
phi_(phi),
Rphi_(Rphi),
A_(A),
@ -218,10 +218,10 @@ Foam::chemPointISAT<ThermoType>::chemPointISAT
node_(node),
completeSpaceSize_(completeSpaceSize),
nGrowth_(0),
nActiveSpecies_(chemistry.mechRed()->NsSimp()),
nActiveSpecies_(table_.chemistry().mechRed()->nActiveSpecies()),
simplifiedToCompleteIndex_(nActiveSpecies_),
timeTag_(chemistry_.timeSteps()),
lastTimeUsed_(chemistry_.timeSteps()),
timeTag_(table.timeSteps()),
lastTimeUsed_(table.timeSteps()),
toRemove_(false),
maxNumNewDim_(coeffsDict.lookupOrDefault("maxNumNewDim",0)),
printProportion_(coeffsDict.lookupOrDefault("printProportion",false)),
@ -237,18 +237,18 @@ Foam::chemPointISAT<ThermoType>::chemPointISAT
idT_ = completeSpaceSize - 3;
idp_ = completeSpaceSize - 2;
bool isMechRedActive = chemistry_.mechRed()->active();
bool isMechRedActive = table_.chemistry().mechRed()->active();
if (isMechRedActive)
{
for (label i=0; i<completeSpaceSize-3; i++)
{
completeToSimplifiedIndex_[i] =
chemistry.completeToSimplifiedIndex()[i];
table_.chemistry().completeToSimplifiedIndex()[i];
}
for (label i=0; i<nActiveSpecies_; i++)
{
simplifiedToCompleteIndex_[i] =
chemistry.simplifiedToCompleteIndex()[i];
table_.chemistry().simplifiedToCompleteIndex()[i];
}
}
@ -307,7 +307,7 @@ Foam::chemPointISAT<ThermoType>::chemPointISAT
Foam::chemPointISAT<ThermoType>& p
)
:
chemistry_(p.chemistry()),
table_(p.table_),
phi_(p.phi()),
Rphi_(p.Rphi()),
LT_(p.LT()),
@ -340,7 +340,7 @@ template<class ThermoType>
bool Foam::chemPointISAT<ThermoType>::inEOA(const scalarField& phiq)
{
scalarField dphi(phiq-phi());
bool isMechRedActive = chemistry_.mechRed()->active();
bool isMechRedActive = table_.chemistry().mechRed()->active();
const label dim =
isMechRedActive ? nActiveSpecies_ : completeSpaceSize() - 3;
@ -452,7 +452,7 @@ bool Foam::chemPointISAT<ThermoType>::inEOA(const scalarField& phiq)
}
else
{
propName = chemistry_.Y()[maxIndex].member();
propName = table_.chemistry().Y()[maxIndex].member();
}
Info<< "Direction maximum impact to error in ellipsoid: "
<< propName << endl;
@ -480,7 +480,7 @@ bool Foam::chemPointISAT<ThermoType>::checkSolution
scalarField dphi(phiq - phi());
const scalarField& scaleFactorV(scaleFactor());
const scalarSquareMatrix& Avar(A());
bool isMechRedActive = chemistry_.mechRed()->active();
bool isMechRedActive = table_.chemistry().mechRed()->active();
scalar dRl = 0;
const label dim =
@ -540,7 +540,7 @@ bool Foam::chemPointISAT<ThermoType>::grow(const scalarField& phiq)
{
scalarField dphi(phiq - phi());
label initNActiveSpecies(nActiveSpecies_);
bool isMechRedActive = chemistry_.mechRed()->active();
bool isMechRedActive = table_.chemistry().mechRed()->active();
if (isMechRedActive)
{
@ -556,7 +556,7 @@ bool Foam::chemPointISAT<ThermoType>::grow(const scalarField& phiq)
if
(
completeToSimplifiedIndex_[i] == -1
&& chemistry_.completeToSimplifiedIndex()[i]!=-1
&& table_.chemistry().completeToSimplifiedIndex()[i]!=-1
)
{
activeAdded++;
@ -567,7 +567,7 @@ bool Foam::chemPointISAT<ThermoType>::grow(const scalarField& phiq)
if
(
completeToSimplifiedIndex_[i] != -1
&& chemistry_.completeToSimplifiedIndex()[i] == -1
&& table_.chemistry().completeToSimplifiedIndex()[i] == -1
)
{
activeAdded++;
@ -579,7 +579,7 @@ bool Foam::chemPointISAT<ThermoType>::grow(const scalarField& phiq)
if
(
completeToSimplifiedIndex_[i] == -1
&& chemistry_.completeToSimplifiedIndex()[i] == -1
&& table_.chemistry().completeToSimplifiedIndex()[i] == -1
&& dphi[i] != 0
)
{

14
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.H
View File

@ -135,6 +135,12 @@ class binaryNode;
template<class ThermoType>
class TDACChemistryModel;
namespace chemistryTabulationMethods
{
template<class ThermoType>
class ISAT;
}
/*---------------------------------------------------------------------------*\
Class chemPointISAT Declaration
@ -145,8 +151,8 @@ class chemPointISAT
{
// Private Data
//- Pointer to the chemistryModel object
TDACChemistryModel<ThermoType>& chemistry_;
//- Reference to the ISAT table
chemistryTabulationMethods::ISAT<ThermoType>& table_;
//- Vector storing the composition, temperature and pressure
// and deltaT if a variable time step is set on
@ -245,7 +251,7 @@ public:
//- Construct from components
chemPointISAT
(
TDACChemistryModel<ThermoType>& chemistry,
chemistryTabulationMethods::ISAT<ThermoType>& table,
const scalarField& phi,
const scalarField& Rphi,
const scalarSquareMatrix& A,
@ -272,7 +278,7 @@ public:
//- Access to the TDACChemistryModel
inline TDACChemistryModel<ThermoType>& chemistry()
{
return chemistry_;
return table_.chemistry();
}
inline label nGrowth()

9
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -34,13 +34,6 @@ Foam::chemistryTabulationMethod<ThermoType>::chemistryTabulationMethod
const dictionary& dict,
TDACChemistryModel<ThermoType>& chemistry
)
:
dict_(dict),
coeffsDict_(dict.subDict("tabulation")),
active_(coeffsDict_.lookupOrDefault<Switch>("active", false)),
log_(coeffsDict_.lookupOrDefault<Switch>("log", false)),
chemistry_(chemistry),
tolerance_(coeffsDict_.lookupOrDefault<scalar>("tolerance", 1e-4))
{}

41
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.H
View File

@ -37,7 +37,6 @@ SourceFiles
#include "IOdictionary.H"
#include "scalarField.H"
#include "Switch.H"
#include "runTimeSelectionTables.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -58,23 +57,6 @@ template<class ThermoType>
class chemistryTabulationMethod
{
protected:
const dictionary& dict_;
const dictionary coeffsDict_;
//- Is tabulation active?
Switch active_;
//- Switch to select performance logging
Switch log_;
TDACChemistryModel<ThermoType>& chemistry_;
scalar tolerance_;
public:
//- Runtime type information
@ -120,24 +102,9 @@ public:
// Member Functions
inline bool active()
{
return active_;
}
inline bool log()
{
return active_ && log_;
}
inline scalar tolerance() const
{
return tolerance_;
}
virtual label size() = 0;
virtual void writePerformance() = 0;
//- Return true if the tabulation method tabulates
// otherwise return false
virtual bool tabulates() = 0;
// Retrieve function: (only virtual here)
// Try to retrieve a stored point close enough (according to tolerance)
@ -165,6 +132,8 @@ public:
// The underlying structure of the tabulation is updated/cleaned
// to increase the performance of the retrieve
virtual bool update() = 0;
virtual void reset() = 0;
};

89
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -24,6 +24,7 @@ License
\*---------------------------------------------------------------------------*/
#include "chemistryTabulationMethod.H"
#include "noChemistryTabulation.H"
#include "Time.H"
// * * * * * * * * * * * * * * * * Selectors * * * * * * * * * * * * * * * * //
@ -36,53 +37,67 @@ Foam::chemistryTabulationMethod<ThermoType>::New
TDACChemistryModel<ThermoType>& chemistry
)
{
const dictionary& tabulationDict(dict.subDict("tabulation"));
const word methodName(tabulationDict.lookup("method"));
Info<< "Selecting chemistry tabulation method " << methodName << endl;
const word methodTypeName =
methodName + '<' + ThermoType::typeName() + '>';
typename dictionaryConstructorTable::iterator cstrIter =
dictionaryConstructorTablePtr_->find(methodTypeName);
if (cstrIter == dictionaryConstructorTablePtr_->end())
if (dict.found("tabulation"))
{
FatalErrorInFunction
<< "Unknown " << typeName_() << " type " << methodName << endl
<< endl;
const dictionary& tabulationDict(dict.subDict("tabulation"));
const wordList names(dictionaryConstructorTablePtr_->sortedToc());
const word methodName(tabulationDict.lookup("method"));
wordList thisCmpts;
thisCmpts.append(word::null);
thisCmpts.append
(
basicThermo::splitThermoName(ThermoType::typeName(), 5)
);
Info<< "Selecting chemistry tabulation method " << methodName << endl;
wordList validNames;
forAll(names, i)
const word methodTypeName =
methodName + '<' + ThermoType::typeName() + '>';
typename dictionaryConstructorTable::iterator cstrIter =
dictionaryConstructorTablePtr_->find(methodTypeName);
if (cstrIter == dictionaryConstructorTablePtr_->end())
{
const wordList cmpts(basicThermo::splitThermoName(names[i], 6));
FatalErrorInFunction
<< "Unknown " << typeName_() << " type " << methodName << endl
<< endl;
if (SubList<word>(cmpts, 5, 1) == SubList<word>(thisCmpts, 5, 1))
const wordList names(dictionaryConstructorTablePtr_->sortedToc());
wordList thisCmpts;
thisCmpts.append(word::null);
thisCmpts.append
(
basicThermo::splitThermoName(ThermoType::typeName(), 5)
);
wordList validNames;
forAll(names, i)
{
validNames.append(cmpts[0]);
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
<< exit(FatalError);
}
FatalErrorInFunction
<< "Valid " << typeName_() << " types are:" << validNames << endl
<< exit(FatalError);
return autoPtr<chemistryTabulationMethod<ThermoType>>
(
cstrIter()(dict, chemistry)
);
}
else
{
return autoPtr<chemistryTabulationMethod<ThermoType>>
(
new chemistryTabulationMethods::none<ThermoType>(dict, chemistry)
);
}
return autoPtr<chemistryTabulationMethod<ThermoType>>
(
cstrIter()(dict, chemistry)
);
}

6
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -39,9 +39,7 @@ Foam::chemistryTabulationMethods::none<ThermoType>::none
chemistryProperties,
chemistry
)
{
this->active_ = false;
}
{}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //

25
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.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) 2016-2020 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -25,6 +25,11 @@ Class
Foam::chemistryTabulationMethods::none
Description
A chemistryTabulationMethod which does nothing to allow tabulation to be
switched-off.
SourceFiles
noChemistryTabulation.C
\*---------------------------------------------------------------------------*/
@ -73,16 +78,10 @@ public:
// Member Functions
//- Return the size of the binary tree
virtual label size()
//- Return false as this tabulation method does not tabulate
virtual bool tabulates()
{
NotImplemented;
return 0;
}
virtual void writePerformance()
{
NotImplemented;
return false;
}
//- Find the closest stored leaf of phiQ and store the result in
@ -93,7 +92,6 @@ public:
scalarField& Rphiq
)
{
NotImplemented;
return false;
}
@ -110,15 +108,16 @@ public:
const scalar deltaT
)
{
NotImplemented;
return false;
}
virtual bool update()
{
NotImplemented;
return false;
}
virtual void reset()
{}
};