void reactornetmethods(int nlhs, mxArray* plhs[],
int nrhs, const mxArray* prhs[])
{
int iok = 0, n;
int job = getInt(prhs[1]);
int i = getInt(prhs[2]);
double r = Undef;
double v = Undef;
double v2 = -1.0;
if (nrhs > 3) {
v = getDouble(prhs[3]);
}
if (nrhs > 4) {
v2 = getDouble(prhs[4]);
}
// constructor
if (job == 0) {
n = reactornet_new();
plhs[0] = mxCreateNumericMatrix(1,1,mxDOUBLE_CLASS,mxREAL);
double* h = mxGetPr(plhs[0]);
*h = double(n);
if (n < 0) {
reportError();
}
return;
}
// options that do not return a value
if (job < 20) {
switch (job) {
case 1:
iok = reactornet_del(i);
break;
case 2:
iok = reactornet_copy(i);
break;
case 4:
iok = reactornet_addreactor(i, int(v));
break;
case 5:
iok = reactornet_setInitialTime(i, v);
break;
case 6:
iok = reactornet_setMaxTimeStep(i, v);
break;
case 7:
iok = reactornet_setTolerances(i, v, v2);
break;
case 8:
iok = reactornet_advance(i, v);
break;
default:
mexErrMsgTxt("unknown job parameter");
}
plhs[0] = mxCreateNumericMatrix(1,1,mxDOUBLE_CLASS,mxREAL);
double* h = mxGetPr(plhs[0]);
*h = double(iok);
if (iok < 0) {
reportError();
}
return;
} else if (job < 40) {
// options that return a value of type 'double'
switch (job) {
case 21:
r = reactornet_step(i, v);
break;
case 22:
r = reactornet_time(i);
break;
case 23:
r = reactornet_rtol(i);
break;
case 24:
r = reactornet_atol(i);
break;
default:
mexErrMsgTxt("unknown job parameter");
}
plhs[0] = mxCreateNumericMatrix(1,1,mxDOUBLE_CLASS,mxREAL);
double* h = mxGetPr(plhs[0]);
*h = r;
if (r == DERR) {
reportError();
}
return;
}
}
int main(int argc, char** argv)
{
int ret;
int xml_file = xml_get_XML_File("gri30.xml", 0);
assert(xml_file > 0);
int phase_node = xml_findID(xml_file, "gri30_mix");
assert(phase_node > 0);
int thermo = thermo_newFromXML(phase_node);
assert(thermo > 0);
int nsp = thermo_nSpecies(thermo);
assert(nsp == 53);
ret = thermo_setTemperature(thermo, 500);
assert(ret == 0);
ret = thermo_setPressure(thermo, 5 * 101325);
assert(ret == 0);
ret = thermo_setMoleFractionsByName(thermo, "CH4:1.0, O2:2.0, N2:7.52");
assert(ret == 0);
ret = thermo_equilibrate(thermo, "HP", 0, 1e-9, 50000, 1000, 0);
assert(ret == 0);
double T = thermo_temperature(thermo);
assert(T > 2200 && T < 2300);
ret = thermo_print(thermo, 1, 0);
assert(ret == 0);
int kin = kin_newFromXML(phase_node, thermo, 0, 0, 0, 0);
assert(kin > 0);
size_t nr = kin_nReactions(kin);
assert(nr == 325 );
ret = thermo_setTemperature(thermo, T - 200);
assert(ret == 0);
char buf [1000];
double ropf[325];
printf("\n Reaction Forward ROP\n");
kin_getFwdRatesOfProgress(kin, 325, ropf);
size_t n; // declare this here for C89 compatibility
for (n = 0; n < nr; n++) {
kin_getReactionString(kin, n, 1000, buf);
printf("%35s %8.6e\n", buf, ropf[n]);
}
printf("\n Species Mix diff coeff\n");
int tran = trans_new("Mix", thermo, 0);
double dkm[53];
trans_getMixDiffCoeffs(tran, 53, dkm);
int k; // declare this here for C89 compatibility
for (k = 0; k < nsp; k++) {
thermo_getSpeciesName(thermo, k, 1000, buf);
printf("%10s %8.6e\n", buf, dkm[k]);
}
ret = thermo_setTemperature(thermo, 1050);
assert(ret == 0);
ret = thermo_setPressure(thermo, 5 * 101325);
assert(ret == 0);
ret = thermo_setMoleFractionsByName(thermo, "CH4:1.0, O2:2.0, N2:7.52");
assert(ret == 0);
printf("\ntime Temperature\n");
int reactor = reactor_new(5);
int net = reactornet_new();
ret = reactor_setThermoMgr(reactor, thermo);
assert(ret == 0);
ret = reactor_setKineticsMgr(reactor, kin);
assert(ret == 0);
ret = reactornet_addreactor(net, reactor);
assert(ret == 0);
double t = 0.0;
while (t < 0.1 && ret == 0) {
double T = reactor_temperature(reactor);
t = reactornet_time(net);
printf("%.2e %.3f\n", t, T);
ret = reactornet_advance(net, t + 5e-3);
assert(ret == 0);
}
ct_appdelete();
return 0;
}
static PyObject*
py_reactornet_new(PyObject* self, PyObject* args)
{
int n = reactornet_new();
return Py_BuildValue("i",n);
}