7da738d238
Applied using: astyle -n --style=kr --add-brackets --indent=spaces=4 --indent-col1-comments --unpad-paren --pad-header --align-pointer=type --lineend=linux
99 lines
2.7 KiB
C++
99 lines
2.7 KiB
C++
#include "cantera/kinetics.h"
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#include <string>
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using namespace Cantera;
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using namespace std;
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int main(int argc, char** argv)
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{
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#ifdef _MSC_VER
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_set_output_format(_TWO_DIGIT_EXPONENT);
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#endif
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try {
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if (argc != 2) {
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cout << "Error: no input file specified.\n"
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"Choose either 'noxNeg.cti' or 'noxNeg_blessed.xml" << endl;
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exit(-1);
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}
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std::string infile(argv[1]);
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size_t i;
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double x[20];
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double cdot[20], ddot[20];
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XML_Node* xc = new XML_Node();
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string path = findInputFile(infile);
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ctml::get_CTML_Tree(xc, path);
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XML_Node* const xg = xc->findNameID("phase", "air");
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ThermoPhase* gasTP = newPhase(*xg);
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size_t nsp = gasTP->nSpecies();
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cout << "Number of species = " << nsp << endl;
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vector<ThermoPhase*> phaseList;
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phaseList.push_back(gasTP);
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GasKinetics* iKin_ptr = new GasKinetics();
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importKinetics(*xg, phaseList, iKin_ptr);
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size_t nr = iKin_ptr->nReactions();
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cout << "Number of reactions = " << nr << endl;
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size_t iH = gasTP->speciesIndex("H");
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size_t iO2 = gasTP->speciesIndex("O2");
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size_t iH2O = gasTP->speciesIndex("H2O");
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size_t iNH = gasTP->speciesIndex("NH");
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size_t iNO = gasTP->speciesIndex("NO");
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size_t iN2O = gasTP->speciesIndex("N2O");
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for (i = 0; i < nsp; i++) {
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x[i] = 0.0;
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}
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x[iH2O] = 1.0 /2.0;
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x[iH] = 0.2 /2.0;
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x[iO2] = 0.3 /2.0;
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x[iNH] = 0.05/2.0;
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x[iNO] = 0.05/2.0;
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x[iN2O] = 0.05/2.0;
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double p = OneAtm;
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gasTP->setState_TPX(2000., p, x);
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double src[20];
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for (i = 0; i < 20; i++) {
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src[i] = 0.0;
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}
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iKin_ptr->getNetProductionRates(src);
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for (i = 0; i < nsp; i++) {
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string sSt = gasTP->speciesName(i);
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printf("rop [ %.4d:%s ] = %.5g \n", (int) i, sSt.c_str(), src[i]);
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}
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size_t nReactions = iKin_ptr->nReactions();
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cout << "number of reactions = " << nReactions << endl;
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double fwd_rop[20];
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double rev_rop[20];
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iKin_ptr->getFwdRatesOfProgress(fwd_rop);
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iKin_ptr->getRevRatesOfProgress(rev_rop);
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for (i = 0; i < nReactions; i++) {
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printf("fwd_rop[%3d] = %13g rev_rop[%3d] = %13g\n", (int) i,
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fwd_rop[i], (int) i, rev_rop[i]);
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}
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iKin_ptr->getCreationRates(cdot);
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iKin_ptr->getDestructionRates(ddot);
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return 0;
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} catch (CanteraError& err) {
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std::cerr << err.what() << std::endl;
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cerr << "program terminating." << endl;
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return -1;
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}
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}
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