/
chemkinLexer.L
1578 lines (1331 loc) · 48.1 KB
/
chemkinLexer.L
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/*--------------------------------*- C++ -*----------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2020 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/>.
\*---------------------------------------------------------------------------*/
%{
#undef yyFlexLexer
#include "chemkinReader.H"
#include "error.H"
#include "IStringStream.H"
// For EOF only
#include <cstdio>
// flex input buffer size
int Foam::chemkinReader::yyBufSize = YY_BUF_SIZE;
// Dummy yyFlexLexer::yylex() to keep the linker happy. It is not called
//! \cond dummy
int yyFlexLexer::yylex()
{
FatalErrorInFunction
<< "should not have called this function"
<< abort(Foam::FatalError);
return 0;
}
//! \endcond
// Dummy yywrap to keep yylex happy at compile time.
// It is called by yylex but is not used as the mechanism to change file.
// See <<EOF>>
//! \cond dummy
#if YY_FLEX_MINOR_VERSION < 6 && YY_FLEX_SUBMINOR_VERSION < 34
extern "C" int yywrap()
#else
int yyFlexLexer::yywrap()
#endif
{
return 1;
}
//! \endcond
Foam::string foamSpecieString(const char* YYText)
{
Foam::string specieString(YYText);
return specieString;
}
class foamSpecieName
{
public:
//- Is this character valid for a foamSpecieName
inline static bool valid(char c)
{
return
(
!isspace(c)
&& c != '"' // string quote
&& c != '\'' // string quote
&& c != '/' // slash
&& c != ';' // end statement
&& c != '{' // beg subdict
&& c != '}' // end subdict
);
}
};
Foam::word foamName(const char* YYText)
{
Foam::string fn(YYText);
Foam::string::stripInvalid<foamSpecieName>(fn);
return fn;
}
Foam::word foamName(const Foam::string& s)
{
Foam::string fn(s);
Foam::string::stripInvalid<foamSpecieName>(fn);
return fn;
}
/* ------------------------------------------------------------------------- *\
------ cppLexer::yylex()
\* ------------------------------------------------------------------------- */
#define YY_DECL int Foam::chemkinReader::lex()
%}
one_space [ \t\f\r]
space {one_space}*
some_space {one_space}+
alpha [_A-Za-z]
digit [0-9]
exponent_part [eEdD][-+]?{digit}+
fractional_constant [-+]?(({digit}*"."{digit}+)|({digit}+"."?))
floatNum (({fractional_constant}{exponent_part}?)|({digit}+{exponent_part}))
elements {space}("ELEMENTS"|"ELEM"){space}
species {space}("SPECIES"|"SPECIE"|"SPEC"){space}
thermoAll {space}"THERMO"{some_space}"ALL"{space}
thermo {space}"THERMO"{space}
reactions {space}("REACTIONS"|"REAC"){space}
end {space}"END"{space}
elementName {space}([A-Z]|([A-Z][A-Z])){space}
startIsotopeMolW {space}"/"{space}
isotopeMolW {space}{floatNum}{space}"/"{space}
specieName {space}[A-Za-z](([A-Za-z0-9)*+-])|("("[^+]))*{space}
Y {space}{floatNum}{space}
thermoTemp .{10}
thermoSpecieName .{18}
thermoDate .{6}
thermoFormula .{20}
thermoPhase S|L|G|C
thermoLowTemp .{10}
thermoHighTemp .{10}
thermoCommonTemp .{8}
thermoFormula2 .{5}
thermoCoeff .{15}
thermoLineLabel1 " "1{space}
thermoLineLabel2 " "{4}2{space}
thermoLineLabel3 " "{4}3{space}
thermoLineLabel4 " "{4}4{space}
specieDelimiter {space}"+"{space}
reversibleReactionDelimiter {space}("="|"<=>"){space}
irreversibleReactionDelimiter {space}"=>"{space}
startPDependentSpecie {space}"("{space}"+"{space}
pDependentSpecie {specieName}")"{space}
reactionCoeffs {space}{floatNum}{some_space}{floatNum}{some_space}{floatNum}{space}
reactionKeyword {space}[A-Za-z](([A-Za-z0-9)*-])|("("[^+]))*{space}
reactionKeywordSlash {reactionKeyword}"/"{space}
thirdBodyEfficiency {space}{floatNum}{space}"/"{space}
startReactionCoeffs {space}"/"{space}
endReactionCoeffs {space}"/"{space}
reactionCoeff {space}{floatNum}{space}
calPerMol {space}"CAL/MOLE"{space}
kcalPerMol {space}"KCAL/MOLE"{space}
joulePerMol {space}"JOULES/MOLE"{space}
kelvins {space}"KELVINS"{space}
otherReactionsUnit {space}("EVOLTS"|"MOLES"|"MOLECULES"){space}
cal {space}"CAL"{space}
kcal {space}"KCAL"{space}
joule {space}"JOUL"{space}
kjoule {space}"KJOU"{space}
kelvin {space}("KELV"|"KELVIN"){space}
otherReactionUnit {space}("MOLE"|"MOLECULE"|"EVOL"|"EVOLTS"){space}
/* ------------------------------------------------------------------------- *\
----- Exclusive start states -----
\* ------------------------------------------------------------------------- */
%option stack
%x readElements
%x readIsotopeMolW
%x readSpecies
%x readThermoAll
%x readThermoSpecieName
%x readThermoDate
%x readThermoFormula
%x readThermoPhase
%x readThermoTemps
%x readThermoFormula2
%x readThermoLineLabel1
%x readThermoCoeff1
%x readThermoLineLabel2
%x readThermoCoeff2
%x readThermoLineLabel3
%x readThermoCoeff3
%x readThermoLineLabel4
%x readReactionsUnits
%x readReactionKeyword
%x readSpecieNamePlus
%x readReactionDelimiter
%x readPDependentSpecie
%x readThirdBodyEfficiency
%x readReactionCoeffs
%x readTdepSpecie
%x readReactionOrderSpecie
%x readReactionOrder
%x readReactionUnit
%x CHEMKINError
%%
%{
static const char* stateNames[30] =
{
"reading CHEMKIN III file",
"reading elements",
"reading isotope molecular weight",
"reading species",
"reading all thermodynamic data temperatures",
"reading thermodynamic specie name",
"reading thermodynamic data date",
"reading thermodynamic data specie formula",
"reading thermodynamic data specie phase",
"reading thermodynamic data temperatures",
"reading thermodynamic data specie formula (supplement)",
"reading thermodynamic data line label 1",
"reading thermodynamic data coefficient set 1",
"reading thermodynamic data line label 2",
"reading thermodynamic data coefficient set 2",
"reading thermodynamic data line label 3",
"reading thermodynamic data coefficient set 3",
"reading thermodynamic data line label 4",
"reading reaction units",
"reading reaction specie/keyword",
"reading reaction specie",
"reading reaction delimiter",
"reading reaction pressure dependent specie",
"reading third-body efficiency",
"reading reaction coeff",
"reading temperature dependent specie name",
"reading reaction order specie name",
"reading reaction order",
"reading reaction unit",
"error"
};
static const char* stateExpects[30] =
{
"'ELEMENTS' or 'ELEM', 'SPECIES' or 'SPEC', 'THERMO' or 'THERMO ALL', 'REACTIONS'",
"<elementName>, <isotopeName> / or 'END'",
"<scalar>/",
"<specieName> or 'END'",
"<scalar><scalar><scalar> (3F10.0)",
"<word> (18A1)",
"<word> (6A1)",
"<word><label><word><label><word><label><word><label> (4(2A1,I3))",
"<char> (A1)",
"<scalar><scalar><scalar> (E10.0E10.0E8.0)",
"<word><label> (2A1,I3)",
"'1' (I1)",
"<scalar><scalar><scalar><scalar><scalar> (5(E15.0))",
"'2' (I1)",
"<scalar><scalar><scalar><scalar><scalar> (5(E15.0))",
"'3' (I1)",
"<scalar><scalar><scalar><scalar> (4(E15.0))",
"'4' (I1)",
"'CAL/MOLE', 'KCAL/MOLE', 'JOULES/MOLE', 'KELVINS', 'EVOLTS', 'MOLES' or 'MOLECULES'",
"<word> or <label>",
"'+'",
"'+', '=', '<=>', '=>', '(+<word>', '<scalar> <scalar> <scalar>'",
"<word>')'",
"<scalar>'/'",
"<scalar>",
"<word>",
"<word>",
"<scalar>",
"'MOLE', 'MOLECULE', 'CAL', 'KCAL', 'JOUL', 'KJOU', 'KELV', 'KELVIN', 'EVOL' or 'EVOLTS'",
""
};
string startError;
static const scalar RRjoule = 8.31451; // J/kg-mol-K
static const scalar RRcal = 1.987316; // cal/g-mol-K
scalar RRreactions = RRcal;
scalar RRreaction = RRcal;
scalar allCommonT = 1000.0;
word currentElementName;
label currentElementIndex = 0;
word currentSpecieName;
label currentSpecieIndex = 0;
label nSpecieElements = 0;
List<specieElement> currentSpecieComposition(5);
scalar currentLowT = 0;
scalar currentHighT = 0;
scalar currentCommonT = 0;
chemkinReader::thermoPhysics::coeffArray highCpCoeffs(scalarList(7));
chemkinReader::thermoPhysics::coeffArray lowCpCoeffs(scalarList(7));
specieCoeffs currentSpecieCoeff;
DynamicList<specieCoeffs> lhs;
DynamicList<specieCoeffs> rhs;
scalarList ArrheniusCoeffs(3);
DynamicList<scalar> reactionCoeffs;
scalarList thirdBodyEfficiencies;
label currentThirdBodyIndex = -1;
word reactionCoeffsName = word::null;
HashTable<scalarList> reactionCoeffsTable;
DynamicList<specieCoeffs> *lrhsPtr = &lhs;
reactionType rType = unknownReactionType;
reactionRateType rrType = Arrhenius;
fallOffFunctionType fofType = unknownFallOffFunctionType;
word pDependentSpecieName = word::null;
label lhsThirdBodyCounter = 0;
label rhsThirdBodyCounter = 0;
bool finishReaction = false;
%}
/* ------------------------------------------------------------------------- *\
------ Start Lexing ------
\* ------------------------------------------------------------------------- */
/* ------------------------------------------------------------------------- *\
------ Discard comments being careful to count comments
\* ------------------------------------------------------------------------- */
<*>{space}"!".* { // Remove one line comments
}
/* ------------------------------------------------------------------------- *\
------ Read elements
\* ------------------------------------------------------------------------- */
{elements} {
BEGIN(readElements);
}
<readElements>{elementName} {
currentElementName = foamName(YYText());
correctElementName(currentElementName);
if (!elementIndices_.found(currentElementName))
{
elementIndices_.insert(currentElementName, currentElementIndex++);
elementNames_.append(currentElementName);
}
else
{
WarningInFunction
<< "element " << currentElementName
<< " already in table." << endl;
}
}
<readElements>{startIsotopeMolW} {
BEGIN(readIsotopeMolW);
}
<readIsotopeMolW>{isotopeMolW} {
isotopeAtomicWts_.insert(currentElementName, stringToScalar(YYText()));
BEGIN(readElements);
}
<readElements>{end} {
BEGIN(INITIAL);
}
/* ------------------------------------------------------------------------- *\
------ Read species
\* ------------------------------------------------------------------------- */
<INITIAL,readElements>{species} {
BEGIN(readSpecies);
}
<readSpecies>{specieName} {
word specieName(foamName(foamSpecieString(YYText())));
if (specieName == "THERMO")
{
specieNames_.shrink();
speciesTable_ = specieNames_;
thirdBodyEfficiencies.setSize(specieNames_.size());
thirdBodyEfficiencies = 1.0;
BEGIN(readThermoSpecieName);
}
else if (specieName == "END")
{
specieNames_.shrink();
speciesTable_ = specieNames_;
thirdBodyEfficiencies.setSize(specieNames_.size());
thirdBodyEfficiencies = 1.0;
BEGIN(INITIAL);
}
else
{
if (!specieIndices_.found(specieName))
{
specieNames_.append(specieName);
specieIndices_.insert(specieName, currentSpecieIndex++);
}
else
{
WarningInFunction
<< "specie " << specieName
<< " already in table." << endl;
}
}
}
/* ------------------------------------------------------------------------- *\
------ Read thermo
\* ------------------------------------------------------------------------- */
<INITIAL,readSpecies>{thermo} {
BEGIN(readThermoSpecieName);
}
<INITIAL,readSpecies>{thermoAll} {
BEGIN(readThermoAll);
}
<readThermoAll>{thermoTemp}{thermoTemp}{thermoTemp} {
string temperaturesString(YYText());
// scalar lowestT(stringToScalar(temperaturesString(0, 10)));
allCommonT = stringToScalar(temperaturesString(10, 10));
// scalar highestT(stringToScalar(temperaturesString(20, 10)));
BEGIN(readThermoSpecieName);
}
<readThermoSpecieName>{thermoSpecieName} {
string specieString(foamSpecieString(YYText()));
if (newFormat_)
{
specieString.replaceAll(" ", "_");
size_t strEnd = specieString.find_last_not_of('_');
currentSpecieName = specieString.substr(0, strEnd + 1);
}
else
{
size_t spacePos = specieString.find(' ');
if (spacePos != string::npos)
{
currentSpecieName = specieString(0, spacePos);
}
else
{
currentSpecieName = specieString;
}
}
BEGIN(readThermoDate);
}
<readThermoDate>{thermoDate} {
// string thermoDate(YYText());
// Date is not currently used
BEGIN(readThermoFormula);
}
<readThermoFormula>{thermoFormula} {
string thermoFormula(YYText());
nSpecieElements = 0;
currentSpecieComposition.setSize(5);
for (int i=0; i<4; i++)
{
word elementName(foamName(thermoFormula(5*i, 2)));
label nAtoms = atoi(thermoFormula(5*i + 2, 3).c_str());
if (elementName.size() && nAtoms)
{
correctElementName(elementName);
currentSpecieComposition[nSpecieElements].name() =
elementName;
currentSpecieComposition[nSpecieElements++].nAtoms() = nAtoms;
}
}
BEGIN(readThermoPhase);
}
<readThermoPhase>{thermoPhase} {
char phaseChar = YYText()[0];
switch (phaseChar)
{
case 'S':
speciePhase_.insert(currentSpecieName, solid);
break;
case 'L':
speciePhase_.insert(currentSpecieName, liquid);
break;
case 'G':
speciePhase_.insert(currentSpecieName, gas);
break;
}
BEGIN(readThermoTemps);
}
<readThermoTemps>{thermoLowTemp}{thermoHighTemp}{thermoCommonTemp} {
string temperaturesString(YYText());
currentLowT = stringToScalar(temperaturesString(0, 10));
currentHighT = stringToScalar(temperaturesString(10, 10));
currentCommonT = stringToScalar(temperaturesString(20, 8));
if (currentCommonT < SMALL)
{
currentCommonT = allCommonT;
}
BEGIN(readThermoFormula2);
}
<readThermoFormula2>{thermoFormula2} {
string thermoFormula(YYText());
word elementName(foamName(thermoFormula(0, 2)));
label nAtoms = atoi(thermoFormula(2, 3).c_str());
if
(
elementName.size()
&& elementName.find('0') == string::npos
&& nAtoms
)
{
correctElementName(elementName);
currentSpecieComposition[nSpecieElements].name() =
elementName;
currentSpecieComposition[nSpecieElements++].nAtoms() = nAtoms;
}
currentSpecieComposition.setSize(nSpecieElements);
speciesCompositionTable::iterator specieCompositionIter
(
speciesComposition_.find(currentSpecieName)
);
if (specieCompositionIter != speciesComposition_.end())
{
speciesComposition_.erase(specieCompositionIter);
}
speciesComposition_.insert
(
currentSpecieName,
currentSpecieComposition
);
BEGIN(readThermoLineLabel1);
}
<readThermoLineLabel1>{thermoLineLabel1} {
BEGIN(readThermoCoeff1);
}
<readThermoCoeff1>{thermoCoeff}{thermoCoeff}{thermoCoeff}{thermoCoeff}{thermoCoeff} {
string thermoCoeffString(YYText());
highCpCoeffs[0] = stringToScalar(thermoCoeffString(0, 15));
highCpCoeffs[1] = stringToScalar(thermoCoeffString(15, 15));
highCpCoeffs[2] = stringToScalar(thermoCoeffString(30, 15));
highCpCoeffs[3] = stringToScalar(thermoCoeffString(45, 15));
highCpCoeffs[4] = stringToScalar(thermoCoeffString(60, 15));
BEGIN(readThermoLineLabel2);
}
<readThermoLineLabel2>{thermoLineLabel2} {
BEGIN(readThermoCoeff2);
}
<readThermoCoeff2>{thermoCoeff}{thermoCoeff}{thermoCoeff}{thermoCoeff}{thermoCoeff} {
string thermoCoeffString(YYText());
highCpCoeffs[5] = stringToScalar(thermoCoeffString(0, 15));
highCpCoeffs[6] = stringToScalar(thermoCoeffString(15, 15));
lowCpCoeffs[0] = stringToScalar(thermoCoeffString(30, 15));
lowCpCoeffs[1] = stringToScalar(thermoCoeffString(45, 15));
lowCpCoeffs[2] = stringToScalar(thermoCoeffString(60, 15));
BEGIN(readThermoLineLabel3);
}
<readThermoLineLabel3>{thermoLineLabel3} {
BEGIN(readThermoCoeff3);
}
<readThermoCoeff3>{thermoCoeff}{thermoCoeff}{thermoCoeff}{thermoCoeff}{thermoCoeff} {
string thermoCoeffString(YYText());
lowCpCoeffs[3] = stringToScalar(thermoCoeffString(0, 15));
lowCpCoeffs[4] = stringToScalar(thermoCoeffString(15, 15));
lowCpCoeffs[5] = stringToScalar(thermoCoeffString(30, 15));
lowCpCoeffs[6] = stringToScalar(thermoCoeffString(45, 15));
BEGIN(readThermoLineLabel4);
}
<readThermoLineLabel4>{thermoLineLabel4} {
HashPtrTable<chemkinReader::thermoPhysics>::iterator specieThermoIter
(
speciesThermo_.find(currentSpecieName)
);
if (specieThermoIter != speciesThermo_.end())
{
speciesThermo_.erase(specieThermoIter);
}
speciesThermo_.insert
(
currentSpecieName,
new chemkinReader::thermoPhysics
(
janafThermo<perfectGas<specie>>
(
specie
(
currentSpecieName,
1.0,
molecularWeight(currentSpecieComposition)
),
currentLowT,
currentHighT,
currentCommonT,
highCpCoeffs,
lowCpCoeffs,
true
),
transportDict_.subDict(currentSpecieName)
)
);
BEGIN(readThermoSpecieName);
}
<readThermoSpecieName>{end} {
Reaction<chemkinReader::thermoPhysics>::TlowDefault = max
(
Reaction<chemkinReader::thermoPhysics>::TlowDefault,
currentLowT
);
Reaction<chemkinReader::thermoPhysics>::ThighDefault = min
(
Reaction<chemkinReader::thermoPhysics>::ThighDefault,
currentHighT
);
BEGIN(INITIAL);
}
/* ------------------------------------------------------------------------- *\
------ Read reactions
\* ------------------------------------------------------------------------- */
<INITIAL,readThermoSpecieName>{reactions} {
currentSpecieCoeff.stoichCoeff = 1.0;
currentSpecieCoeff.exponent = currentSpecieCoeff.stoichCoeff;
BEGIN(readReactionsUnits);
}
<readReactionsUnits>{calPerMol} {
RRreactions = RRcal;
}
<readReactionsUnits>{kcalPerMol} {
RRreactions = RRcal/1000.0;
}
<readReactionsUnits>{joulePerMol} {
RRreactions = RRjoule;
}
<readReactionsUnits>{kelvins} {
RRreactions = 1.0;
}
<readReactionsUnits>{otherReactionsUnit} {
}
<readReactionsUnits>\n {
lineNo_++;
BEGIN(readReactionKeyword);
}
<readReactionKeyword>{Y} {
currentSpecieCoeff.stoichCoeff = atof(YYText());
currentSpecieCoeff.exponent = currentSpecieCoeff.stoichCoeff;
}
<readReactionKeyword>{reactionKeyword} {
word keyword(foamName(YYText()));
HashTable<int>::iterator reactionKeywordIter
(
reactionKeywordTable_.find(keyword)
);
if (reactionKeywordIter != reactionKeywordTable_.end())
{
switch(reactionKeywordIter())
{
case duplicateReactionType:
{
BEGIN(readReactionKeyword);
break;
}
case thirdBodyReactionType:
{
if (rrType != Arrhenius && rrType != thirdBodyArrhenius)
{
FatalErrorInFunction
<< "Attempt to set reaction rate type to"
" thirdBodyArrhenius when it is already set to "
<< reactionRateTypeNames[rrType]
<< " on line " << lineNo_
<< exit(FatalError);
}
if (pDependentSpecieName.size())
{
FatalErrorInFunction
<< "A non-pressure dependent third-body appears in"
" the pressure dependent reaction on line "
<< lineNo_
<< exit(FatalError);
}
rrType = thirdBodyArrhenius;
if (lrhsPtr == &lhs)
{
lhsThirdBodyCounter++;
}
else
{
rhsThirdBodyCounter++;
}
BEGIN(readReactionDelimiter);
break;
}
case plasmaMomentumTransfer:
{
FatalErrorInFunction
<< "Plasma momentum-transfer in reaction on line "
<< lineNo_ << "not yet supported"
<< exit(FatalError);
BEGIN(readReactionKeyword);
break;
}
case collisionCrossSection:
{
FatalErrorInFunction
<< "Collision cross-section in reaction on line "
<< lineNo_ << "not yet supported"
<< exit(FatalError);
BEGIN(readReactionKeyword);
break;
}
case end:
{
BEGIN(INITIAL);
addReaction
(
lhs,
rhs,
thirdBodyEfficiencies,
rType,
rrType,
fofType,
ArrheniusCoeffs,
reactionCoeffsTable,
RRreaction
);
finishReaction = false;
rType = unknownReactionType;
rrType = Arrhenius;
fofType = unknownFallOffFunctionType;
thirdBodyEfficiencies = 1.0;
pDependentSpecieName = word::null;
lrhsPtr = &lhs;
break;
}
default:
{
FatalErrorInFunction
<< "keyword " << keyword
<< " should be followed by parameters"
<< " on line " << lineNo_
<< exit(FatalError);
}
}
}
else
{
currentSpecieName = foamName(foamSpecieString(YYText()));
HashTable<label>::iterator specieIndexIter
(
specieIndices_.find(currentSpecieName)
);
if (specieIndexIter != specieIndices_.end())
{
if (finishReaction)
{
addReaction
(
lhs,
rhs,
thirdBodyEfficiencies,
rType,
rrType,
fofType,
ArrheniusCoeffs,
reactionCoeffsTable,
RRreaction
);
finishReaction = false;
rType = unknownReactionType;
rrType = Arrhenius;
fofType = unknownFallOffFunctionType;
thirdBodyEfficiencies = 1.0;
pDependentSpecieName = word::null;
lrhsPtr = &lhs;
}
currentSpecieCoeff.index = specieIndexIter();
lrhsPtr->append(currentSpecieCoeff);
BEGIN(readReactionDelimiter);
}
else
{
BEGIN(readSpecieNamePlus);
}
}
}
<readReactionKeyword>{reactionKeywordSlash} {
word keyword(foamName(YYText()));
HashTable<int>::iterator reactionKeywordIter
(
reactionKeywordTable_.find(keyword)
);
if (reactionKeywordIter != reactionKeywordTable_.end())
{
switch(reactionKeywordIter())
{
case unimolecularFallOffReactionType:
{
if (!pDependentSpecieName.size())
{
FatalErrorInFunction
<< "LOW keyword given for a unimolecular fall-off"
" reaction which does not contain a pressure"
" dependent specie" << " on line " << lineNo_
<< exit(FatalError);
}
if (rrType == Arrhenius)
{
rrType = unimolecularFallOff;
}
else
{
FatalErrorInFunction
<< "Attempt to set reaction rate type to"
" unimolecularFallOff when it is already set to "
<< reactionRateTypeNames[rrType]
<< " on line " << lineNo_
<< exit(FatalError);
}
if (fofType == unknownFallOffFunctionType)
{
fofType = Lindemann;
}
reactionCoeffsName = reactionRateTypeNames[rrType];
BEGIN(readReactionCoeffs);
break;
}
case chemicallyActivatedBimolecularReactionType:
{
if (!pDependentSpecieName.size())
{
FatalErrorInFunction
<< "HIGH keyword given for a chemically"
" activated bimolecular reaction which does not"
" contain a pressure dependent specie"
<< " on line " << lineNo_
<< exit(FatalError);
}
if (rrType == Arrhenius)
{
rrType = chemicallyActivatedBimolecular;
}
else
{
FatalErrorInFunction
<< "Attempt to set reaction rate type to"
" chemicallyActivatedBimolecular when it is"
" already set to "
<< reactionRateTypeNames[rrType]
<< " on line " << lineNo_
<< exit(FatalError);
}
if (fofType == unknownFallOffFunctionType)
{
fofType = Lindemann;
}
reactionCoeffsName = reactionRateTypeNames[rrType];
BEGIN(readReactionCoeffs);
break;
}
case TroeReactionType:
{
if (!pDependentSpecieName.size())
{
FatalErrorInFunction
<< "TROE keyword given for a"
" reaction which does not contain a pressure"
" dependent specie" << " on line " << lineNo_
<< exit(FatalError);
}
if
(
fofType == unknownFallOffFunctionType
|| fofType == Lindemann
)
{
fofType = Troe;
}
else
{
FatalErrorInFunction
<< "Attempt to set fall-off function type to Troe"
" when it is already set to "
<< fallOffFunctionNames[fofType]
<< " on line " << lineNo_
<< exit(FatalError);
}
reactionCoeffsName = fallOffFunctionNames[fofType];