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chemkinToFoam: Added support for converting elements and species composition

Browse Source 
Based of patch contributed by Francesco Contino, Tommaso Lucchini,
Gianluca D’Errico, Hervé Jeanmart, Nicolas Bourgeois and Stéphane
Backaert.
This commit is contained in:
Henry Weller
2016-07-06 16:24:56 +01:00
parent de75e2f918
commit bccf754d24
1 changed files with 33 additions and 4 deletions
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37
applications/utilities/thermophysical/chemkinToFoam/chemkinToFoam.C
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@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
\\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -33,6 +33,8 @@ Description
#include "argList.H" #include "argList.H"
#include "chemkinReader.H" #include "chemkinReader.H"
#include "OFstream.H" #include "OFstream.H"
#include "OStringStream.H"
#include "IStringStream.H"
using namespace Foam; using namespace Foam;
@ -60,15 +62,42 @@ int main(int argc, char *argv[])
chemkinReader cr(species, args[1], args[3], args[2], newFormat); chemkinReader cr(species, args[1], args[3], args[2], newFormat);
OFstream reactionsFile(args[4]); OFstream reactionsFile(args[4]);
reactionsFile
<< "elements" << cr.elementNames() << token::END_STATEMENT << nl << nl;
reactionsFile reactionsFile
<< "species" << cr.species() << token::END_STATEMENT << nl << nl; << "species" << cr.species() << token::END_STATEMENT << nl << nl;
cr.reactions().write(reactionsFile); cr.reactions().write(reactionsFile);
OFstream thermoFile(args[5]); // Temporary hack to splice the specie composition data into the thermo file
cr.speciesThermo().write(thermoFile); // pending complete integration into the thermodynamics structure
OStringStream os;
cr.speciesThermo().write(os);
dictionary thermoDict(IStringStream(os.str())());
wordList speciesList(thermoDict.toc());
// Add elements
forAll(speciesList, si)
{
dictionary elementsDict("elements");
forAll(cr.specieComposition()[speciesList[si]], ei)
{
elementsDict.add
(
cr.specieComposition()[speciesList[si]][ei].elementName,
cr.specieComposition()[speciesList[si]][ei].nAtoms
);
}
thermoDict.subDict(speciesList[si]).add("elements", elementsDict);
}
thermoDict.write(OFstream(args[5])(), false);
Info<< "End\n" << endl; Info<< "End\n" << endl;