302 lines
7.6 KiB
C++
302 lines
7.6 KiB
C++
|
|
static PyObject*
|
|
py_temperature(PyObject *self, PyObject *args) {
|
|
int ph;
|
|
if (!PyArg_ParseTuple(args, "i:py_temperature", &ph)) return NULL;
|
|
return Py_BuildValue("d",phase_temperature(ph));
|
|
}
|
|
|
|
static PyObject*
|
|
py_density(PyObject *self, PyObject *args) {
|
|
int ph;
|
|
if (!PyArg_ParseTuple(args, "i:py_density", &ph)) return NULL;
|
|
return Py_BuildValue("d",phase_density(ph));
|
|
}
|
|
|
|
static PyObject*
|
|
py_molardensity(PyObject *self, PyObject *args) {
|
|
int ph;
|
|
if (!PyArg_ParseTuple(args, "i:py_molardensity", &ph)) return NULL;
|
|
return Py_BuildValue("d",phase_molarDensity(ph));
|
|
}
|
|
|
|
static PyObject*
|
|
py_meanmolwt(PyObject *self, PyObject *args) {
|
|
int ph;
|
|
if (!PyArg_ParseTuple(args, "i:py_meanmolwt", &ph)) return NULL;
|
|
return Py_BuildValue("d",phase_meanMolecularWeight(ph));
|
|
}
|
|
|
|
static PyObject*
|
|
py_molefraction(PyObject *self, PyObject *args) {
|
|
int ph, k;
|
|
if (!PyArg_ParseTuple(args, "ii:py_molefraction", &ph, &k)) return NULL;
|
|
return Py_BuildValue("d",phase_moleFraction(ph, k));
|
|
}
|
|
|
|
static PyObject*
|
|
py_massfraction(PyObject *self, PyObject *args) {
|
|
int ph, k;
|
|
if (!PyArg_ParseTuple(args, "ii:py_massfraction", &ph, &k)) return NULL;
|
|
return Py_BuildValue("d",phase_massFraction(ph, k));
|
|
}
|
|
|
|
static PyObject*
|
|
py_nelements(PyObject *self, PyObject *args) {
|
|
int ph;
|
|
if (!PyArg_ParseTuple(args, "i:py_nelements", &ph)) return NULL;
|
|
return Py_BuildValue("i",phase_nElements(ph));
|
|
}
|
|
|
|
static PyObject*
|
|
py_nspecies(PyObject *self, PyObject *args) {
|
|
int ph;
|
|
if (!PyArg_ParseTuple(args, "i:py_nspecies", &ph)) return NULL;
|
|
return Py_BuildValue("i",phase_nSpecies(ph));
|
|
}
|
|
|
|
static PyObject*
|
|
py_natoms(PyObject *self, PyObject *args) {
|
|
int ph, k, m;
|
|
if (!PyArg_ParseTuple(args, "iii:py_natoms", &ph, &k, &m)) return NULL;
|
|
return Py_BuildValue("d",phase_nAtoms(ph, k, m));
|
|
}
|
|
|
|
// static PyObject*
|
|
// py_addelement(PyObject *self, PyObject *args) {
|
|
// int ph;
|
|
// char* name;
|
|
// double wt;
|
|
// if (!PyArg_ParseTuple(args, "isd:py_addelement", &ph, &name, &wt))
|
|
// return NULL;
|
|
// int ok = phase_addElement(ph, name, wt);
|
|
// if (ok < 0) return reportError(ok);
|
|
// else return Py_BuildValue("i",0);
|
|
// }
|
|
|
|
static PyObject*
|
|
py_elementindex(PyObject *self, PyObject *args) {
|
|
int ph;
|
|
char* nm;
|
|
if (!PyArg_ParseTuple(args, "is:py_elementindex", &ph, &nm)) return NULL;
|
|
int k = phase_elementIndex(ph,nm);
|
|
return Py_BuildValue("i",k);
|
|
}
|
|
|
|
static PyObject*
|
|
py_speciesindex(PyObject *self, PyObject *args) {
|
|
int ph;
|
|
char* nm;
|
|
if (!PyArg_ParseTuple(args, "is:py_speciesindex", &ph, &nm)) return NULL;
|
|
int k = phase_speciesIndex(ph,nm);
|
|
return Py_BuildValue("i",k);
|
|
}
|
|
|
|
static PyObject*
|
|
py_report(PyObject *self, PyObject *args) {
|
|
int th, show_thermo;
|
|
int buflen = 400;
|
|
char* output_buf = new char[buflen];
|
|
if (!PyArg_ParseTuple(args, "ii:py_report", &th, &show_thermo))
|
|
return NULL;
|
|
int iok = phase_report(th, buflen, output_buf, show_thermo);
|
|
if (iok < -1 && iok != -999) {
|
|
delete output_buf;
|
|
output_buf = new char[-iok];
|
|
iok = phase_report(th, -iok, output_buf, show_thermo);
|
|
}
|
|
if (iok < 0) return reportError(iok);
|
|
PyObject* s = Py_BuildValue("s",output_buf);
|
|
delete output_buf;
|
|
return s;
|
|
}
|
|
|
|
|
|
static PyObject*
|
|
phase_getarray(PyObject *self, PyObject *args)
|
|
{
|
|
int ph;
|
|
int job;
|
|
|
|
if (!PyArg_ParseTuple(args, "ii:phase_getarray", &ph, &job))
|
|
return NULL;
|
|
|
|
// array attributes
|
|
int iok = -22;
|
|
PyArrayObject* x = 0;
|
|
double* xd = 0;
|
|
if (job > 10) {
|
|
|
|
int nsp = phase_nSpecies(ph);
|
|
x = (PyArrayObject*)PyArray_FromDims(1, &nsp, PyArray_DOUBLE);
|
|
xd = (double*)x->data;
|
|
switch (job) {
|
|
case 20:
|
|
iok = phase_getMoleFractions(ph,nsp,xd);
|
|
break;
|
|
case 21:
|
|
iok = phase_getMassFractions(ph,nsp,xd);
|
|
break;
|
|
case 22:
|
|
iok = phase_getMolecularWeights(ph,nsp,xd);
|
|
break;
|
|
default:
|
|
;
|
|
}
|
|
}
|
|
else {
|
|
|
|
int nel = phase_nElements(ph);
|
|
x = (PyArrayObject*)PyArray_FromDims(1, &nel, PyArray_DOUBLE);
|
|
xd = (double*)x->data;
|
|
switch (job) {
|
|
case 1:
|
|
iok = phase_getAtomicWeights(ph,nel,xd);
|
|
break;
|
|
default:
|
|
;
|
|
}
|
|
}
|
|
|
|
if (iok >= 0) {
|
|
return PyArray_Return(x);
|
|
}
|
|
else {
|
|
PyErr_SetString(ErrorObject,"Unknown array attribute");
|
|
return NULL;
|
|
}
|
|
}
|
|
|
|
// string attributes
|
|
static PyObject*
|
|
phase_getstring(PyObject *self, PyObject *args)
|
|
{
|
|
int ph, job, iok = -1;
|
|
int k;
|
|
int buflen;
|
|
char* output_buf = 0;
|
|
if (!PyArg_ParseTuple(args, "iii:phase_getstring", &ph, &job, &k))
|
|
return NULL;
|
|
switch (job) {
|
|
case 1:
|
|
buflen = 20;
|
|
output_buf = new char[buflen];
|
|
iok = phase_getElementName(ph, k, buflen, output_buf);
|
|
break;
|
|
case 2:
|
|
buflen = 40;
|
|
output_buf = new char[buflen];
|
|
iok = phase_getSpeciesName(ph, k, buflen, output_buf);
|
|
break;
|
|
default:
|
|
iok = -10;
|
|
}
|
|
if (iok >= 0) {
|
|
PyObject* str = Py_BuildValue("s",output_buf);
|
|
delete[] output_buf;
|
|
return str;
|
|
}
|
|
delete output_buf;
|
|
if (iok == -1)
|
|
return reportCanteraError();
|
|
else {
|
|
PyErr_SetString(ErrorObject,"Unknown string attribute");
|
|
return NULL;
|
|
}
|
|
}
|
|
|
|
static PyObject*
|
|
phase_setfp(PyObject *self, PyObject *args)
|
|
{
|
|
double vv;
|
|
int iok = -2;
|
|
int ph;
|
|
int job;
|
|
|
|
if (!PyArg_ParseTuple(args, "iid:phase_getfp", &ph, &job, &vv))
|
|
return NULL;
|
|
|
|
// set floating-point attributes
|
|
switch (job) {
|
|
case 1:
|
|
iok = phase_setTemperature(ph, vv); break;
|
|
case 2:
|
|
iok = phase_setDensity(ph, vv); break;
|
|
case 3:
|
|
iok = phase_setMolarDensity(ph, vv); break;
|
|
default:
|
|
iok = -10;
|
|
}
|
|
if (iok >= 0)
|
|
return Py_BuildValue("i",iok);
|
|
else {
|
|
PyErr_SetString(ErrorObject,"Unknown floating-point attribute");
|
|
return NULL;
|
|
}
|
|
}
|
|
|
|
|
|
static PyObject*
|
|
phase_setarray(PyObject *self, PyObject *args)
|
|
{
|
|
int ph;
|
|
int job;
|
|
int norm;
|
|
int iok;
|
|
PyObject* seq;
|
|
if (!PyArg_ParseTuple(args, "iiiO:phase_setarray", &ph, &job, &norm, &seq))
|
|
return NULL;
|
|
PyArrayObject* a = (PyArrayObject*)
|
|
PyArray_ContiguousFromObject(seq, PyArray_DOUBLE, 1, 1);
|
|
double* xd = (double*)a->data;
|
|
int len = a->dimensions[0];
|
|
switch (job) {
|
|
case 1:
|
|
iok = phase_setMoleFractions(ph, len, xd, norm);
|
|
break;
|
|
case 2:
|
|
iok = phase_setMassFractions(ph, len, xd, norm);
|
|
break;
|
|
default:
|
|
iok = -10;
|
|
}
|
|
Py_DECREF(a);
|
|
if (iok >= 0)
|
|
return Py_BuildValue("i",iok);
|
|
if (iok == -1)
|
|
return reportCanteraError();
|
|
else {
|
|
PyErr_SetString(ErrorObject, "Error in phase_setarray");
|
|
return NULL;
|
|
}
|
|
}
|
|
|
|
static PyObject*
|
|
phase_setstring(PyObject *self, PyObject *args)
|
|
{
|
|
int ph;
|
|
int job;
|
|
int iok;
|
|
char* str;
|
|
if (!PyArg_ParseTuple(args, "iis:phase_setstring", &ph, &job, &str))
|
|
return NULL;
|
|
switch (job) {
|
|
case 1:
|
|
iok = phase_setMoleFractionsByName(ph, str);
|
|
break;
|
|
case 2:
|
|
iok = phase_setMassFractionsByName(ph, str);
|
|
break;
|
|
default:
|
|
iok = -10;
|
|
}
|
|
if (iok >= 0)
|
|
return Py_BuildValue("i",iok);
|
|
if (iok == -1)
|
|
return reportCanteraError();
|
|
else {
|
|
PyErr_SetString(ErrorObject, "Error in phase_setstring");
|
|
return NULL;
|
|
}
|
|
}
|
|
|