#include "cantera/thermo/IdealGasPhase.h" // defines class IdealGasPhase #include using namespace Cantera; // The program is put into a function so that error handling code can // be conveniently put around the whole thing. See main() below. void demoprog() { writelog("\n**** Testing modifying NASA polynomial coefficients ****\n"); auto sol = newSolution("h2o2.yaml", "ohmech"); auto gas = sol->thermo(); int nsp = gas->nSpecies(); int type; double c[15]; double minTemp, maxTemp, refPressure; // get a reference to the species thermo property manager 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++) { 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 writelog("\n "); for (j = 1; j < 8; j++) { writelog(" A{} ", j); } writelog("\n low:"); for (j = 1; j < 8; j++) { writelog(" {:10.4E} ", c[j]); } writelog("\n high:"); for (j = 8; j < 15; j++) { writelog(" {:10.4E} ", c[j]); } writelog("\n "); // print the modified NASA coefficients writelog("\n\n {} (modified):", gas->speciesName(n).c_str()); writelog("\n "); for (j = 1; j < 8; j++) { writelog(" A{} ", j); } writelog("\n low:"); for (j = 1; j < 8; j++) { writelog(" {:10.4E} ", c[j]); } writelog("\n high:"); for (j = 8; j < 15; j++) { writelog(" {:10.4E} ", c[j]); } writelog("\n"); } } int main() { try { demoprog(); } catch (CanteraError& err) { std::cout << err.what() << std::endl; } }