diff --git a/ct2foam.C b/ct2foam.C index f03bb3e..b798379 100644 --- a/ct2foam.C +++ b/ct2foam.C @@ -72,6 +72,102 @@ int main(int argc, char *argv[]) Cantera::Transport *tr_ = Cantera::newTransportMgr("Mix", &gas_); label nCanteraSp_ = gas_.nSpecies(); + int nsp = gas_.nSpecies(); + + int type; + doublereal c[15]; + doublereal minTemp, maxTemp, refPressure; + + Cantera::MultiSpeciesThermo& sp = gas_.speciesThermo(); + + int n, j; + + // these constants define the location of coefficient "a6" in the + // cofficient array c. The c array contains Tmid in the first + // location, followed by the 7 low-temperature coefficients, then + // the seven high-temperature ones. + for (n = 0; n < nsp; n++) + { + Cantera::writelog("\n\n {} (original):", gas_.speciesName(n)); + + // get the NASA coefficients in array c + sp.reportParams(n, type, c, minTemp, maxTemp, refPressure); + + // print the unmodified NASA coefficients + Cantera::writelog("\n "); + for (j = 1; j < 8; j++) { + Cantera::writelog(" A{} ", j); + } + Cantera::writelog("\n low:"); + for (j = 1; j < 8; j++) { + Cantera::writelog(" {:10.4E} ", c[j]); + } + + Cantera::writelog("\n high:"); + for (j = 8; j < 15; j++) { + Cantera::writelog(" {:10.4E} ", c[j]); + } + Cantera::writelog("\n "); + + // print the modified NASA coefficients + Cantera::writelog("\n\n {} (modified):", gas_.speciesName(n).c_str()); + Cantera::writelog("\n "); + for (j = 1; j < 8; j++) { + Cantera::writelog(" A{} ", j); + } + Cantera::writelog("\n low:"); + for (j = 1; j < 8; j++) { + Cantera::writelog(" {:10.4E} ", c[j]); + } + + Cantera::writelog("\n high:"); + for (j = 8; j < 15; j++) { + Cantera::writelog(" {:10.4E} ", c[j]); + } + Cantera::writelog("\n"); + } + + label nrxn = gas_.nReactions(); + + for (label k = 0; k < nrxn; k++) + { + std::shared_ptr r(gas_.reaction(k)); + + switch (gas_.reactionType(k)) + { + case Cantera::ELEMENTARY_RXN: + Info << "ELEMENTARY_RXN" << endl; + break; + + case Cantera::THREE_BODY_RXN: + Info << "THREE_BODY_RXN" << endl; + break; + + case Cantera::FALLOFF_RXN: + Info << "FALLOFF_RXN" << endl; + break; + + case Cantera::PLOG_RXN: + Info << "PLOG_RXN" << endl; + break; + + case Cantera::CHEBYSHEV_RXN: + Info << "CHEBYSHEV_RXN" << endl; + break; + + case Cantera::CHEMACT_RXN: + Info << "CHEMACT_RXN" << endl; + break; + + default: + break; + } + + Info << gas_.reactionString(k) << endl; + } + + + /* Info<< "\nCreate temperature space\n" << endl; @@ -84,7 +180,6 @@ int main(int argc, char *argv[]) } - /* // initialize composition array scalarField XY(nCanteraSp_, 0.0);