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chemistryReductionMethod: Reduce code duplication

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This commit is contained in:
Will Bainbridge
2021-12-16 11:08:19 +00:00
parent 4f0dfc3bdf
commit 593befd959
19 changed files with 263 additions and 725 deletions
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18
src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel.C
View File

@ -791,28 +791,20 @@ Foam::scalar Foam::chemistryModel<ThermoType>::solve
{
if (mechRedActive_)
{
// Compute concentrations
for (label i=0; i<nSpecie_; i++)
{
const scalar Yi = Yvf_[i][celli];
c_[i] = rho0*Yi/specieThermos_[i].W();
c_[i] = rho0*Y_[i]/specieThermos_[i].W();
}
// Reduce mechanism change the number of species (only active)
mechRed_.reduceMechanism
(
p,
T,
c_,
sc_,
cTos_,
sToc_,
celli
);
mechRed_.reduceMechanism(p, T, c_, cTos_, sToc_, celli);
// Set the simplified mass fraction field
sY_.setSize(nSpecie_);
for (label i=0; i<nSpecie_; i++)
{
sY_[i] = specieThermos_[sToc(i)].W()*sc_[i]/rho0;
sY_[i] = Y_[sToc(i)];
}
}

77
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/DAC/DAC.C
View File

@ -34,7 +34,7 @@ Foam::chemistryReductionMethods::DAC<ThermoType>::DAC
chemistryModel<ThermoType>& chemistry
)
:
chemistryReduction<ThermoType>(dict, chemistry),
chemistryReductionMethod<ThermoType>(dict, chemistry),
searchInitSet_(),
zprime_(0),
nbCLarge_(3),
@ -237,13 +237,12 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li
)
{
chemistryReduction<ThermoType>::initReduceMechanism();
chemistryReductionMethod<ThermoType>::initReduceMechanism();
scalarField c1(this->chemistry_.nEqns(), 0.0);
for(label i=0; i<this->nSpecie(); i++)
@ -494,7 +493,6 @@ 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);
label speciesNumber = 0;
// Set all species to inactive and activate them according
// to rAB and initial set
@ -517,17 +515,14 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
// When phiLarge and phiProgress >= phiTol then
// CO, HO2 and fuel are in the SIS
Q.push(COId_);
speciesNumber++;
this->activeSpecies_[COId_] = true;
Rvalue[COId_] = 1.0;
Q.push(HO2Id_);
speciesNumber++;
this->activeSpecies_[HO2Id_] = true;
Rvalue[HO2Id_] = 1.0;
forAll(fuelSpeciesID_,i)
{
Q.push(fuelSpeciesID_[i]);
speciesNumber++;
this->activeSpecies_[fuelSpeciesID_[i]] = true;
Rvalue[fuelSpeciesID_[i]] = 1.0;
}
@ -538,11 +533,9 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
// When phiLarge < phiTol and phiProgress >= phiTol then
// CO, HO2 are in the SIS
Q.push(COId_);
speciesNumber++;
this->activeSpecies_[COId_] = true;
Rvalue[COId_] = 1.0;
Q.push(HO2Id_);
speciesNumber++;
this->activeSpecies_[HO2Id_] = true;
Rvalue[HO2Id_] = 1.0;
@ -551,7 +544,6 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
forAll(fuelSpeciesID_,i)
{
Q.push(fuelSpeciesID_[i]);
speciesNumber++;
this->activeSpecies_[fuelSpeciesID_[i]] = true;
Rvalue[fuelSpeciesID_[i]] = 1.0;
}
@ -562,12 +554,10 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
// When phiLarge and phiProgress< phiTol then
// CO2, H2O are in the SIS
Q.push(CO2Id_);
speciesNumber++;
this->activeSpecies_[CO2Id_] = true;
Rvalue[CO2Id_] = 1.0;
Q.push(H2OId_);
speciesNumber++;
this->activeSpecies_[H2OId_] = true;
Rvalue[H2OId_] = 1.0;
if (forceFuelInclusion_)
@ -575,7 +565,6 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
forAll(fuelSpeciesID_,i)
{
Q.push(fuelSpeciesID_[i]);
speciesNumber++;
this->activeSpecies_[fuelSpeciesID_[i]] = true;
Rvalue[fuelSpeciesID_[i]] = 1.0;
}
@ -585,7 +574,6 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
if (T>NOxThreshold_ && NOId_!=-1)
{
Q.push(NOId_);
speciesNumber++;
this->activeSpecies_[NOId_] = true;
Rvalue[NOId_] = 1.0;
}
@ -596,7 +584,6 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
{
label q = SIS[i];
this->activeSpecies_[q] = true;
speciesNumber++;
Q.push(q);
Rvalue[q] = 1.0;
}
@ -631,7 +618,6 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
if (!this->activeSpecies_[otherSpec])
{
this->activeSpecies_[otherSpec] = true;
speciesNumber++;
}
}
}
@ -639,64 +625,7 @@ void Foam::chemistryReductionMethods::DAC<ThermoType>::reduceMechanism
}
}
// Put a flag on the reactions containing at least one removed species
forAll(this->chemistry_.reactions(), i)
{
const Reaction<ThermoType>& R = this->chemistry_.reactions()[i];
this->reactionsDisabled_[i] = false;
forAll(R.lhs(), s)
{
label ss = R.lhs()[s].index;
if (!this->activeSpecies_[ss])
{
// Flag the reaction to disable it
this->reactionsDisabled_[i] = true;
break;
}
}
if (!this->reactionsDisabled_[i])
{
forAll(R.rhs(), s)
{
label ss = R.rhs()[s].index;
if (!this->activeSpecies_[ss])
{
// Flag the reaction to disable it
this->reactionsDisabled_[i] = true;
break;
}
}
}
}
this->nActiveSpecies_ = speciesNumber;
sc.setSize(this->nActiveSpecies_ + 2);
stoc.setSize(this->nActiveSpecies_);
label j = 0;
for (label i=0; i<this->nSpecie(); i++)
{
if (this->activeSpecies_[i])
{
stoc[j] = i;
sc[j] = c[i];
ctos[i] = j++;
if (!this->chemistry_.active(i))
{
this->chemistry_.setActive(i);
}
}
else
{
ctos[i] = -1;
}
}
sc[this->nActiveSpecies_] = T;
sc[this->nActiveSpecies_ + 1] = p;
chemistryReduction<ThermoType>::endReduceMechanism();
chemistryReductionMethod<ThermoType>::endReduceMechanism(ctos, stoc);
}

5
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/DAC/DAC.H
View File

@ -89,7 +89,7 @@ SourceFiles
#ifndef DAC_H
#define DAC_H
#include "chemistryReduction.H"
#include "chemistryReductionMethod.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -104,7 +104,7 @@ namespace chemistryReductionMethods
template<class ThermoType>
class DAC
:
public chemistryReduction<ThermoType>
public chemistryReductionMethod<ThermoType>
{
// Private Data
@ -152,7 +152,6 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li

71
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/DRG/DRG.C
View File

@ -34,7 +34,7 @@ Foam::chemistryReductionMethods::DRG<ThermoType>::DRG
chemistryModel<ThermoType>& chemistry
)
:
chemistryReduction<ThermoType>(dict, chemistry),
chemistryReductionMethod<ThermoType>(dict, chemistry),
searchInitSet_()
{
const wordHashSet initSet(this->coeffsDict_.lookup("initialSet"));
@ -60,13 +60,12 @@ void Foam::chemistryReductionMethods::DRG<ThermoType>::reduceMechanism
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li
)
{
chemistryReduction<ThermoType>::initReduceMechanism();
chemistryReductionMethod<ThermoType>::initReduceMechanism();
scalarField c1(this->nSpecie()+2, 0.0);
@ -209,8 +208,6 @@ void Foam::chemistryReductionMethods::DRG<ThermoType>::reduceMechanism
}
// rii = 0.0 by definition
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++)
@ -226,7 +223,6 @@ void Foam::chemistryReductionMethods::DRG<ThermoType>::reduceMechanism
{
label q = searchInitSet_[i];
this->activeSpecies_[q] = true;
speciesNumber++;
Q.push(q);
}
@ -258,73 +254,12 @@ void Foam::chemistryReductionMethods::DRG<ThermoType>::reduceMechanism
{
Q.push(otherSpec);
this->activeSpecies_[otherSpec] = true;
speciesNumber++;
}
}
}
}
// Put a flag on the reactions containing at least one removed species
forAll(this->chemistry_.reactions(), i)
{
const Reaction<ThermoType>& R = this->chemistry_.reactions()[i];
this->reactionsDisabled_[i] = false;
forAll(R.lhs(), s)
{
label ss = R.lhs()[s].index;
// The species is inactive then the reaction is removed
if (!this->activeSpecies_[ss])
{
// Flag the reaction to disable it
this->reactionsDisabled_[i] = true;
break;
}
}
// If the reaction has not been disabled yet
if (!this->reactionsDisabled_[i])
{
forAll(R.rhs(), s)
{
label ss = R.rhs()[s].index;
if (!this->activeSpecies_[ss])
{
this->reactionsDisabled_[i] = true;
break;
}
}
}
}
this->nActiveSpecies_ = speciesNumber;
sc.setSize(this->nActiveSpecies_ + 2);
stoc.setSize(this->nActiveSpecies_);
label j = 0;
for (label i=0; i<this->nSpecie(); i++)
{
if (this->activeSpecies_[i])
{
stoc[j] = i;
sc[j] = c[i];
ctos[i] = j++;
if (!this->chemistry_.active(i))
{
this->chemistry_.setActive(i);
}
}
else
{
ctos[i] = -1;
}
}
sc[this->nActiveSpecies_] = T;
sc[this->nActiveSpecies_+1] = p;
chemistryReduction<ThermoType>::endReduceMechanism();
chemistryReductionMethod<ThermoType>::endReduceMechanism(ctos, stoc);
}

5
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/DRG/DRG.H
View File

@ -35,7 +35,7 @@ SourceFiles
#ifndef DRG_H
#define DRG_H
#include "chemistryReduction.H"
#include "chemistryReductionMethod.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -51,7 +51,7 @@ namespace chemistryReductionMethods
template<class ThermoType>
class DRG
:
public chemistryReduction<ThermoType>
public chemistryReductionMethod<ThermoType>
{
// Private Data
@ -86,7 +86,6 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li

74
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/DRGEP/DRGEP.C
View File

@ -35,7 +35,7 @@ Foam::chemistryReductionMethods::DRGEP<ThermoType>::DRGEP
chemistryModel<ThermoType>& chemistry
)
:
chemistryReduction<ThermoType>(dict, chemistry),
chemistryReductionMethod<ThermoType>(dict, chemistry),
searchInitSet_(),
sC_(this->nSpecie(), 0),
sH_(this->nSpecie(), 0),
@ -43,7 +43,7 @@ Foam::chemistryReductionMethods::DRGEP<ThermoType>::DRGEP
sN_(this->nSpecie(), 0),
NGroupBased_(50)
{
chemistryReduction<ThermoType>::initReduceMechanism();
chemistryReductionMethod<ThermoType>::initReduceMechanism();
const wordHashSet initSet(this->coeffsDict_.lookup("initialSet"));
forAllConstIter(wordHashSet, initSet, iter)
@ -106,7 +106,6 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li
@ -323,15 +322,16 @@ 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);
label speciesNumber = 0;
List<bool> disabledSpecies(this->nSpecie(),false);
// set all species to inactive and activate them according
// to rAB and initial set
label NActiveSpecies = 0;
for (label i=0; i<this->nSpecie(); i++)
{
this->activeSpecies_[i] = false;
}
// Initialise the FIFOStack for search set
FIFOStack<label> Q;
const labelList& SIS(this->searchInitSet_);
@ -384,7 +384,7 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
if (alphaA > this->tolerance())
{
this->activeSpecies_[q] = true;
speciesNumber++;
NActiveSpecies ++;
Q.push(q);
QStart.append(q);
alphaQ.append(1.0);
@ -413,7 +413,7 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
Q.push(specID);
QStart.append(specID);
alphaQ.append(1.0);
speciesNumber++;
NActiveSpecies ++;
Rvalue[specID] = 1.0;
this->activeSpecies_[specID] = true;
}
@ -446,7 +446,7 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
if (!this->activeSpecies_[otherSpec])
{
this->activeSpecies_[otherSpec] = true;
speciesNumber++;
NActiveSpecies ++;
}
}
}
@ -456,7 +456,7 @@ 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() - NActiveSpecies);
// while the number of removed species is greater than NGroupBased, the rAB
// are reevaluated according to the group based definition for each loop the
@ -648,7 +648,6 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
if (!this->activeSpecies_[otherSpec])
{
this->activeSpecies_[otherSpec] = true;
speciesNumber++;
NDisabledSpecies--;
}
}
@ -659,62 +658,7 @@ void Foam::chemistryReductionMethods::DRGEP<ThermoType>::reduceMechanism
}
}
// End of group-based reduction
// Put a flag on the reactions containing at least one removed species
forAll(this->chemistry_.reactions(), i)
{
const Reaction<ThermoType>& R = this->chemistry_.reactions()[i];
this->reactionsDisabled_[i] = false;
forAll(R.lhs(), s)
{
label ss = R.lhs()[s].index;
if (!this->activeSpecies_[ss])
{
this->reactionsDisabled_[i] = true;
break;
}
}
if (!this->reactionsDisabled_[i])
{
forAll(R.rhs(), s)
{
label ss = R.rhs()[s].index;
if (!this->activeSpecies_[ss])
{
this->reactionsDisabled_[i] = true;
break;
}
}
}
}
this->nActiveSpecies_ = speciesNumber;
sc.setSize(this->nActiveSpecies_+2);
stoc.setSize(this->nActiveSpecies_);
label j = 0;
for (label i=0; i<this->nSpecie(); i++)
{
if (this->activeSpecies_[i])
{
stoc[j] = i;
sc[j] = c[i];
ctos[i] = j++;
if (!this->chemistry_.active(i))
{
this->chemistry_.setActive(i);
}
}
else
{
ctos[i] = -1;
}
}
sc[this->nActiveSpecies_] = T;
sc[this->nActiveSpecies_+1] = p;
chemistryReduction<ThermoType>::endReduceMechanism();
chemistryReductionMethod<ThermoType>::endReduceMechanism(ctos, stoc);
}

5
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/DRGEP/DRGEP.H
View File

@ -103,7 +103,7 @@ SourceFiles
#ifndef DRGEP_H
#define DRGEP_H
#include "chemistryReduction.H"
#include "chemistryReductionMethod.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -119,7 +119,7 @@ namespace chemistryReductionMethods
template<class ThermoType>
class DRGEP
:
public chemistryReduction<ThermoType>
public chemistryReductionMethod<ThermoType>
{
// Private Data
@ -157,7 +157,6 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li

69
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/EFA/EFA.C
View File

@ -35,7 +35,7 @@ Foam::chemistryReductionMethods::EFA<ThermoType>::EFA
chemistryModel<ThermoType>& chemistry
)
:
chemistryReduction<ThermoType>(dict, chemistry),
chemistryReductionMethod<ThermoType>(dict, chemistry),
sC_(this->nSpecie(),0),
sH_(this->nSpecie(),0),
sO_(this->nSpecie(),0),
@ -96,13 +96,12 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li
)
{
chemistryReduction<ThermoType>::initReduceMechanism();
chemistryReductionMethod<ThermoType>::initReduceMechanism();
scalarField c1(this->chemistry_.nEqns(), 0.0);
@ -245,7 +244,6 @@ 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++)
{
this->activeSpecies_[i] = false;
@ -300,12 +298,10 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
if (!this->activeSpecies_[source[idx[startPoint+i]]])
{
this->activeSpecies_[source[idx[startPoint+i]]] = true;
speciesNumber++;
}
if (!this->activeSpecies_[sink[idx[startPoint+i]]])
{
this->activeSpecies_[sink[idx[startPoint+i]]] = true;
speciesNumber++;
}
if (cumFlux >= threshold)
{
@ -363,12 +359,10 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
if (!this->activeSpecies_[source[idx[startPoint+i]]])
{
this->activeSpecies_[source[idx[startPoint+i]]] = true;
speciesNumber++;
}
if (!this->activeSpecies_[sink[idx[startPoint+i]]])
{
this->activeSpecies_[sink[idx[startPoint+i]]] = true;
speciesNumber++;
}
if (cumFlux >= threshold)
{
@ -425,12 +419,10 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
if (!this->activeSpecies_[source[idx[startPoint+i]]])
{
this->activeSpecies_[source[idx[startPoint+i]]] = true;
speciesNumber++;
}
if (!this->activeSpecies_[sink[idx[startPoint+i]]])
{
this->activeSpecies_[sink[idx[startPoint+i]]] = true;
speciesNumber++;
}
if (cumFlux >= threshold)
{
@ -487,12 +479,10 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
if (!this->activeSpecies_[source[idx[startPoint+i]]])
{
this->activeSpecies_[source[idx[startPoint+i]]] = true;
speciesNumber++;
}
if (!this->activeSpecies_[sink[idx[startPoint+i]]])
{
this->activeSpecies_[sink[idx[startPoint+i]]] = true;
speciesNumber++;
}
if (cumFlux >= threshold)
{
@ -504,60 +494,7 @@ void Foam::chemistryReductionMethods::EFA<ThermoType>::reduceMechanism
}
}
// Put a flag on the reactions containing at least one removed species
forAll(this->chemistry_.reactions(), i)
{
const Reaction<ThermoType>& R = this->chemistry_.reactions()[i];
this->reactionsDisabled_[i] = false;
forAll(R.lhs(), s)
{
label ss = R.lhs()[s].index;
if (!this->activeSpecies_[ss])
{
this->reactionsDisabled_[i] = true;
break;
}
}
if (!this->reactionsDisabled_[i])
{
forAll(R.rhs(), s)
{
label ss = R.rhs()[s].index;
if (!this->activeSpecies_[ss])
{
this->reactionsDisabled_[i] = true;
break;
}
}
}
}
this->nActiveSpecies_ = speciesNumber;
sc.setSize(this->nActiveSpecies_+2);
stoc.setSize(this->nActiveSpecies_);
label j = 0;
for (label i=0; i<this->nSpecie(); i++)
{
if (this->activeSpecies_[i])
{
stoc[j] = i;
sc[j] = c[i];
ctos[i] = j++;
if (!this->chemistry_.active(i))
{
this->chemistry_.setActive(i);
}
}
else
{
ctos[i] = -1;
}
}
sc[this->nActiveSpecies_] = T;
sc[this->nActiveSpecies_+1] = p;
chemistryReduction<ThermoType>::endReduceMechanism();
chemistryReductionMethod<ThermoType>::endReduceMechanism(ctos, stoc);
}

5
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/EFA/EFA.H
View File

@ -34,7 +34,7 @@ SourceFiles
#ifndef EFA_H
#define EFA_H
#include "chemistryReduction.H"
#include "chemistryReductionMethod.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -50,7 +50,7 @@ namespace chemistryReductionMethods
template<class ThermoType>
class EFA
:
public chemistryReduction<ThermoType>
public chemistryReductionMethod<ThermoType>
{
// Private Data
@ -85,7 +85,6 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li

66
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/PFA/PFA.C
View File

@ -34,7 +34,7 @@ Foam::chemistryReductionMethods::PFA<ThermoType>::PFA
chemistryModel<ThermoType>& chemistry
)
:
chemistryReduction<ThermoType>(dict, chemistry),
chemistryReductionMethod<ThermoType>(dict, chemistry),
searchInitSet_()
{
const wordHashSet initSet(this->coeffsDict_.lookup("initialSet"));
@ -60,13 +60,12 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li
)
{
chemistryReduction<ThermoType>::initReduceMechanism();
chemistryReductionMethod<ThermoType>::initReduceMechanism();
scalarField c1(this->chemistry_.nEqns(), 0.0);
@ -290,8 +289,6 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
}
// Using the rAB matrix (numerator and denominator separated)
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++)
@ -307,7 +304,6 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
{
label q = SIS[i];
this->activeSpecies_[q] = true;
speciesNumber++;
Q.push(q);
}
@ -338,7 +334,6 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
{
Q.push(otherSpec);
this->activeSpecies_[otherSpec] = true;
speciesNumber++;
}
}
@ -356,67 +351,12 @@ void Foam::chemistryReductionMethods::PFA<ThermoType>::reduceMechanism
{
Q.push(otherSpec);
this->activeSpecies_[otherSpec] = true;
speciesNumber++;
}
}
}
}
// Put a flag on the reactions containing at least one removed species
forAll(this->chemistry_.reactions(), i)
{
const Reaction<ThermoType>& R = this->chemistry_.reactions()[i];
this->reactionsDisabled_[i] = false;
forAll(R.lhs(), s)
{
label ss = R.lhs()[s].index;
if (!this->activeSpecies_[ss])
{
this->reactionsDisabled_[i] = true;
break;
}
}
if (!this->reactionsDisabled_[i])
{
forAll(R.rhs(), s)
{
label ss = R.rhs()[s].index;
if (!this->activeSpecies_[ss])
{
this->reactionsDisabled_[i] = true;
break;
}
}
}
}
this->nActiveSpecies_ = speciesNumber;
sc.setSize(this->nActiveSpecies_+2);
stoc.setSize(this->nActiveSpecies_);
label j = 0;
for (label i=0; i<this->nSpecie(); i++)
{
if (this->activeSpecies_[i])
{
stoc[j] = i;
sc[j] = c[i];
ctos[i] = j++;
if (!this->chemistry_.active(i))
{
this->chemistry_.setActive(i);
}
}
else
{
ctos[i] = -1;
}
}
sc[this->nActiveSpecies_] = T;
sc[this->nActiveSpecies_+1] = p;
chemistryReduction<ThermoType>::endReduceMechanism();
chemistryReductionMethod<ThermoType>::endReduceMechanism(ctos, stoc);
}

5
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/PFA/PFA.H
View File

@ -35,7 +35,7 @@ SourceFiles
#ifndef PFA_H
#define PFA_H
#include "chemistryReduction.H"
#include "chemistryReductionMethod.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -51,7 +51,7 @@ namespace chemistryReductionMethods
template<class ThermoType>
class PFA
:
public chemistryReduction<ThermoType>
public chemistryReductionMethod<ThermoType>
{
// Private Data
@ -87,7 +87,6 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li

116
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/chemistryReduction/chemistryReduction.C
View File

@ -1,116 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / 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 "chemistryModel.H"
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::chemistryReduction<ThermoType>::chemistryReduction
(
const Foam::IOdictionary& dict,
Foam::chemistryModel<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()
{
// Change temporary Ns in chemistryModel
// to make the function nEqns working
this->chemistry_.setNSpecie(this->nActiveSpecies_);
if (log_)
{
sumnActiveSpecies_ += this->nActiveSpecies_;
sumn_++;
reduceMechCpuTime_ += clockTime_.timeIncrement();
}
}
template<class ThermoType>
void Foam::chemistryReduction<ThermoType>::update()
{
if (log_)
{
cpuReduceFile_()
<< this->chemistry_.time().userTimeValue()
<< " " << reduceMechCpuTime_ << endl;
if (sumn_)
{
// Write average number of species
nActiveSpeciesFile_()
<< this->chemistry_.time().userTimeValue()
<< " " << sumnActiveSpecies_/sumn_ << endl;
}
sumnActiveSpecies_ = 0;
sumn_ = 0;
reduceMechCpuTime_ = 0;
}
}
// ************************************************************************* //

159
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/chemistryReduction/chemistryReduction.H
View File

@ -1,159 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / 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_;
chemistryModel<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,
chemistryModel<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,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
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/reduction/chemistryReduction/chemistryReductionI.H
View File

@ -1,53 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / 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_;
}
// ************************************************************************* //

128
src/thermophysicalModels/chemistryModel/chemistryModel/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) 2016-2021 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -35,10 +35,25 @@ Foam::chemistryReductionMethod<ThermoType>::chemistryReductionMethod
Foam::chemistryModel<ThermoType>& chemistry
)
:
coeffsDict_(dict.subDict("reduction")),
chemistry_(chemistry),
nSpecie_(chemistry.nSpecie()),
nActiveSpecies_(chemistry.nSpecie()),
reactionsDisabled_(chemistry.reactions().size(), false)
{}
reactionsDisabled_(chemistry.nReaction(), false),
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 * * * * * * * * * * * * * * * //
@ -48,4 +63,111 @@ Foam::chemistryReductionMethod<ThermoType>::~chemistryReductionMethod()
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
void Foam::chemistryReductionMethod<ThermoType>::initReduceMechanism()
{
if (log_)
{
clockTime_.timeIncrement();
}
}
template<class ThermoType>
void Foam::chemistryReductionMethod<ThermoType>::endReduceMechanism
(
List<label>& ctos,
DynamicList<label>& stoc
)
{
// Disable reactions containing removed species
forAll(chemistry_.reactions(), i)
{
const Reaction<ThermoType>& R = chemistry_.reactions()[i];
reactionsDisabled_[i] = false;
forAll(R.lhs(), s)
{
label ss = R.lhs()[s].index;
if (!activeSpecies_[ss])
{
reactionsDisabled_[i] = true;
break;
}
}
if (!reactionsDisabled_[i])
{
forAll(R.rhs(), s)
{
label ss = R.rhs()[s].index;
if (!activeSpecies_[ss])
{
reactionsDisabled_[i] = true;
break;
}
}
}
}
// Set the total number of active species
nActiveSpecies_ = count(activeSpecies_, true);
// Set the indexing arrays
stoc.setSize(nActiveSpecies_);
for (label i=0, j=0; i<nSpecie(); i++)
{
if (activeSpecies_[i])
{
stoc[j] = i;
ctos[i] = j++;
if (!chemistry_.active(i))
{
chemistry_.setActive(i);
}
}
else
{
ctos[i] = -1;
}
}
// Change the number of species in the chemistry model
chemistry_.setNSpecie(nActiveSpecies_);
if (log_)
{
sumnActiveSpecies_ += nActiveSpecies_;
sumn_++;
reduceMechCpuTime_ += clockTime_.timeIncrement();
}
}
template<class ThermoType>
void Foam::chemistryReductionMethod<ThermoType>::update()
{
if (log_)
{
cpuReduceFile_()
<< chemistry_.time().userTimeValue()
<< " " << reduceMechCpuTime_ << endl;
if (sumn_)
{
// Write average number of species
nActiveSpeciesFile_()
<< chemistry_.time().userTimeValue()
<< " " << sumnActiveSpecies_/sumn_ << endl;
}
sumnActiveSpecies_ = 0;
sumn_ = 0;
reduceMechCpuTime_ = 0;
}
}
// ************************************************************************* //

87
src/thermophysicalModels/chemistryModel/chemistryModel/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) 2016-2021 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -29,6 +29,9 @@ Description
SourceFiles
chemistryReductionMethod.C
chemistryReductionMethods.C
chemistryReductionMethodNew.C
chemistryReductionMethodI.H
\*---------------------------------------------------------------------------*/
@ -37,6 +40,9 @@ SourceFiles
#include "IOdictionary.H"
#include "DynamicField.H"
#include "Switch.H"
#include "clockTime.H"
#include "OFstream.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -47,27 +53,72 @@ template<class ThermoType>
class chemistryModel;
/*---------------------------------------------------------------------------*\
Class chemistrySolver Declaration
Class chemistryReductionMethod Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class chemistryReductionMethod
{
// Private Data
//- Cache the number of species
const label nSpecie_;
protected:
// Protected Data
//- Dictionary that store the algorithm data
const dictionary coeffsDict_;
//- Reference to the chemistry model
chemistryModel<ThermoType>& chemistry_;
//- Total number of species
const label nSpecie_;
//- Number of active species
label nActiveSpecies_;
//- List of disabled reactions (disabled = true)
Field<bool> reactionsDisabled_;
//- List of active species (active = true)
List<bool> activeSpecies_;
//- Protected Member Functions
//- Initialise reduction of the mechanism
void initReduceMechanism();
//- End reduction of the mechanism
void endReduceMechanism(List<label>& ctos, DynamicList<label>& stoc);
private:
// Private Data
//- Switch to select performance logging
Switch log_;
//- Tolerance for the mechanism reduction algorithm
scalar tolerance_;
//- Clock time for logging
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:
@ -114,8 +165,11 @@ public:
// Member Functions
//- Is mechanism reduction active?
virtual bool active() const = 0;
//- Return mechanism reduction active
virtual bool active() const
{
return true;
}
//- Return the number of species
inline label nSpecie();
@ -126,10 +180,11 @@ public:
//- Return the tolerance
inline scalar tolerance() const;
inline bool reactionDisabled(const label i) const
{
return reactionsDisabled_[i];
}
//- Return the active species
inline const List<bool>& activeSpecies() const;
//- Return whether or not a reaction is disabled
inline bool reactionDisabled(const label i) const;
//- Reduce the mechanism
virtual void reduceMechanism
@ -137,13 +192,13 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li
) = 0;
virtual void update() = 0;
//- ...
virtual void update();
};

43
src/thermophysicalModels/chemistryModel/chemistryModel/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) 2016-2021 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2021 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -21,19 +21,19 @@ License
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::chemistryReductionMethod
Description
An abstract class for reducing chemical mechanism
SourceFiles
chemistryReductionMethod.C
\*---------------------------------------------------------------------------*/
#include "chemistryReductionMethod.H"
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class ThermoType>
inline Foam::label Foam::chemistryReductionMethod<ThermoType>::nSpecie()
{
return nSpecie_;
}
template<class ThermoType>
inline Foam::label
Foam::chemistryReductionMethod<ThermoType>::nActiveSpecies() const
@ -43,9 +43,28 @@ Foam::chemistryReductionMethod<ThermoType>::nActiveSpecies() const
template<class ThermoType>
inline Foam::label Foam::chemistryReductionMethod<ThermoType>::nSpecie()
inline const Foam::List<bool>&
Foam::chemistryReductionMethod<ThermoType>::activeSpecies() const
{
return nSpecie_;
return activeSpecies_;
}
template<class ThermoType>
inline Foam::scalar
Foam::chemistryReductionMethod<ThermoType>::tolerance() const
{
return tolerance_;
}
template<class ThermoType>
inline bool Foam::chemistryReductionMethod<ThermoType>::reactionDisabled
(
const label i
) const
{
return reactionsDisabled_[i];
}

1
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/noChemistryReduction/noChemistryReduction.C
View File

@ -53,7 +53,6 @@ void Foam::chemistryReductionMethods::none<ThermoType>::reduceMechanism
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li

1
src/thermophysicalModels/chemistryModel/chemistryModel/reduction/noChemistryReduction/noChemistryReduction.H
View File

@ -89,7 +89,6 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
DynamicField<scalar>& sc,
List<label>& ctos,
DynamicList<label>& stoc,
const label li