static PyObject*
py_mixDiffCoeffs(PyObject *self, PyObject *args) {
int n, id;
if (!PyArg_ParseTuple(args, "ii:py_mixDiffCoeffs", &n, &id))
return NULL;
#ifdef HAS_NUMPY
npy_intp nid = id;
PyArrayObject* d = (PyArrayObject*)PyArray_SimpleNew(1, &nid, PyArray_DOUBLE);
#else
PyArrayObject* d = (PyArrayObject*)PyArray_FromDims(1, &id, PyArray_DOUBLE);
#endif
int iok = trans_getMixDiffCoeffs(n, id, (double*)d->data);
if (iok < 0) return reportError(iok);
return PyArray_Return(d);
}
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;
}
void transportmethods(int nlhs, mxArray* plhs[],
int nrhs, const mxArray* prhs[])
{
double vv = 0.0;
int n = getInt(prhs[1]);
int job = getInt(prhs[2]);
double* h;
int iok = 0;
int nsp;
if (job == -1) {
char* model = getString(prhs[3]);
int loglevel = getInt(prhs[4]);
int m = -2;
m = (int) newTransport(model, n, loglevel);
if (m < 0) {
reportError();
}
// Create matrix for the return argument.
plhs[0] = mxCreateDoubleMatrix(1,1, mxREAL);
double* x = mxGetPr(plhs[0]);
*x = m;
return;
}
if (job < 10) {
switch (job) {
case 0:
delTransport(n);
vv = 0.0;
break;
case 1:
vv = trans_viscosity(n);
break;
case 2:
vv = trans_thermalConductivity(n);
case 3:
vv = trans_electricalConductivity(n);
break;
default:
mexErrMsgTxt("unknown Transport method");
}
if (vv < 0.0) {
reportError();
}
plhs[0] = mxCreateNumericMatrix(1,1,mxDOUBLE_CLASS,mxREAL);
h = mxGetPr(plhs[0]);
*h = vv;
return;
} else if (job < 20) {
nsp = getInt(prhs[3]);
plhs[0] = mxCreateNumericMatrix(nsp,1,mxDOUBLE_CLASS,mxREAL);
h = mxGetPr(plhs[0]);
switch (job) {
case 11:
iok = trans_getMixDiffCoeffs(n, nsp, h);
break;
case 12:
iok = trans_getThermalDiffCoeffs(n, nsp, h);
break;
default:
mexErrMsgTxt("unknown Transport method");
}
}
else if (job < 30) {
nsp = getInt(prhs[3]);
plhs[0] = mxCreateNumericMatrix(nsp,nsp,mxDOUBLE_CLASS,mxREAL);
h = mxGetPr(plhs[0]);
switch (job) {
case 21:
iok = trans_getBinDiffCoeffs(n, nsp, h);
break;
case 22:
iok = trans_getMultiDiffCoeffs(n, nsp, h);
break;
default:
mexErrMsgTxt("unknown Transport method");
}
}
// set parameters
else if (job < 40) {
double* params;
int typ, k;
switch (job) {
case 31:
typ = getInt(prhs[3]);
k = getInt(prhs[4]);
params = mxGetPr(prhs[5]);
iok = trans_setParameters(n, typ, k, params);
break;
default:
mexErrMsgTxt("unknown Transport method");
}
plhs[0] = mxCreateNumericMatrix(1,1,mxDOUBLE_CLASS,mxREAL);
h = mxGetPr(plhs[0]);
*h = double(iok);
} else {
mexErrMsgTxt("unknown Transport method");
}
if (iok < 0) {
reportError();
}
}