Intermediate commit - working on numpy port.
There is a lot of dead wood in this directory that will be eliminated.
This commit is contained in:
Harry Moffat
parent
ee06992cf1
commit
eaf88a6b70
3 changed files with 26 additions and 276 deletions
|
|
@ -1,266 +0,0 @@
|
|||
/**
|
||||
* @file ctkinetics.cpp
|
||||
*
|
||||
*/
|
||||
|
||||
// turn off warnings about long names under Windows
|
||||
#ifdef WIN32
|
||||
#pragma warning(disable:4786)
|
||||
#pragma warning(disable:4503)
|
||||
#endif
|
||||
|
||||
|
||||
#include "Python.h"
|
||||
#include "Numeric/arrayobject.h"
|
||||
#include "ct.h"
|
||||
#include <string>
|
||||
#include <vector>
|
||||
#include <iostream>
|
||||
using namespace std;
|
||||
|
||||
|
||||
// constants defined in the module
|
||||
static PyObject *ErrorObject;
|
||||
|
||||
// local includes
|
||||
#include "pyutils.h"
|
||||
|
||||
static PyObject*
|
||||
kin_newFromXML(PyObject *self, PyObject *args) {
|
||||
int mxml, iphase, neighbor1, neighbor2;
|
||||
if (!PyArg_ParseTuple(args, "iiii:newFromXML", &mxml,
|
||||
&iphase, &neighbor1, &neighbor2))
|
||||
return NULL;
|
||||
int n = newKineticsFromXML(mxml, iphase, neighbor1, neighbor2);
|
||||
if (n < 0) return reportError(n);
|
||||
return Py_BuildValue("i",n);
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_delete(PyObject *self, PyObject *args)
|
||||
{
|
||||
int kin;
|
||||
if (!PyArg_ParseTuple(args, "i:kin_delete", &kin)) return NULL;
|
||||
delKinetics(kin);
|
||||
return Py_BuildValue("i",0);
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_nspecies(PyObject *self, PyObject *args) {
|
||||
int kin;
|
||||
if (!PyArg_ParseTuple(args, "i:kin_nspecies", &kin)) return NULL;
|
||||
return Py_BuildValue("i",kin_nSpecies(kin));
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_rstoichcoeff(PyObject *self, PyObject *args) {
|
||||
int kin, i, k;
|
||||
if (!PyArg_ParseTuple(args, "iii:kin_rstoichcoeff", &kin, &k, &i))
|
||||
return NULL;
|
||||
return Py_BuildValue("d",kin_reactantStoichCoeff(kin, k, i));
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_pstoichcoeff(PyObject *self, PyObject *args) {
|
||||
int kin, i, k;
|
||||
if (!PyArg_ParseTuple(args, "iii:kin_pstoichcoeff", &kin, &k, &i))
|
||||
return NULL;
|
||||
return Py_BuildValue("d",kin_productStoichCoeff(kin, k, i));
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_nrxns(PyObject *self, PyObject *args) {
|
||||
int kin;
|
||||
if (!PyArg_ParseTuple(args, "i:kin_nreactions", &kin)) return NULL;
|
||||
return Py_BuildValue("i",kin_nReactions(kin));
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_isrev(PyObject *self, PyObject *args) {
|
||||
int kin, i;
|
||||
if (!PyArg_ParseTuple(args, "ii:kin_isrev", &kin, &i)) return NULL;
|
||||
return Py_BuildValue("i",kin_isReversible(kin,i));
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_rxntype(PyObject *self, PyObject *args) {
|
||||
int kin, i;
|
||||
if (!PyArg_ParseTuple(args, "ii:kin_rxntype", &kin, &i)) return NULL;
|
||||
return Py_BuildValue("i",kin_reactionType(kin,i));
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_multiplier(PyObject *self, PyObject *args) {
|
||||
int kin, i;
|
||||
if (!PyArg_ParseTuple(args, "ii:kin_multiplier", &kin, &i)) return NULL;
|
||||
return Py_BuildValue("d",kin_multiplier(kin,i));
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_setMultiplier(PyObject *self, PyObject *args) {
|
||||
int kin, i;
|
||||
double v;
|
||||
if (!PyArg_ParseTuple(args, "iid:kin_setMultiplier", &kin, &i, &v)) return NULL;
|
||||
return Py_BuildValue("i",kin_setMultiplier(kin,i,v));
|
||||
}
|
||||
|
||||
|
||||
static PyObject*
|
||||
kin_type(PyObject *self, PyObject *args) {
|
||||
int kin, i;
|
||||
if (!PyArg_ParseTuple(args, "i:kin_type", &kin)) return NULL;
|
||||
return Py_BuildValue("i",kin_type(kin));
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_start(PyObject *self, PyObject *args) {
|
||||
int kin, p;
|
||||
if (!PyArg_ParseTuple(args, "ii:kin_start", &kin, &p)) return NULL;
|
||||
return Py_BuildValue("i",kin_start(kin,p));
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_speciesIndex(PyObject *self, PyObject *args) {
|
||||
int kin;
|
||||
char *nm, *ph;
|
||||
if (!PyArg_ParseTuple(args, "iss:kin_speciesIndex", &kin, &nm, &ph))
|
||||
return NULL;
|
||||
return Py_BuildValue("i",kin_speciesIndex(kin,nm,ph));
|
||||
}
|
||||
|
||||
static PyObject*
|
||||
kin_getarray(PyObject *self, PyObject *args)
|
||||
{
|
||||
int kin;
|
||||
int job;
|
||||
|
||||
if (!PyArg_ParseTuple(args, "ii:kin_getarray", &kin, &job))
|
||||
return NULL;
|
||||
|
||||
// array attributes
|
||||
int iok = -22;
|
||||
int nrxns = kin_nReactions(kin);
|
||||
int nsp = kin_nSpecies(kin);
|
||||
int ix;
|
||||
if (job < 45) ix = nrxns; else ix = nsp;
|
||||
|
||||
PyArrayObject* x =
|
||||
(PyArrayObject*)PyArray_FromDims(1, &ix, PyArray_DOUBLE);
|
||||
double* xd = (double*)x->data;
|
||||
|
||||
switch (job) {
|
||||
case 10:
|
||||
iok = kin_getFwdRatesOfProgress(kin, nrxns, xd);
|
||||
break;
|
||||
case 20:
|
||||
iok = kin_getRevRatesOfProgress(kin, nrxns, xd);
|
||||
break;
|
||||
case 30:
|
||||
iok = kin_getNetRatesOfProgress(kin, nrxns, xd);
|
||||
break;
|
||||
case 40:
|
||||
iok = kin_getEquilibriumConstants(kin, nrxns, xd);
|
||||
break;
|
||||
case 50:
|
||||
iok = kin_getCreationRates(kin, nsp, xd);
|
||||
break;
|
||||
case 60:
|
||||
iok = kin_getDestructionRates(kin, nsp, xd);
|
||||
break;
|
||||
case 70:
|
||||
iok = kin_getNetProductionRates(kin, nsp, xd);
|
||||
break;
|
||||
case 80:
|
||||
iok = kin_getSourceTerms(kin, nsp, xd);
|
||||
break;
|
||||
|
||||
break;
|
||||
default:
|
||||
;
|
||||
}
|
||||
if (iok >= 0) {
|
||||
return PyArray_Return(x);
|
||||
}
|
||||
else
|
||||
return reportError(iok);
|
||||
}
|
||||
|
||||
|
||||
|
||||
// string attributes
|
||||
static PyObject*
|
||||
kin_getstring(PyObject *self, PyObject *args)
|
||||
{
|
||||
int kin, job, i, iok = -3;
|
||||
int buflen;
|
||||
char* output_buf = 0;
|
||||
if (!PyArg_ParseTuple(args, "iii:kin_getstring", &kin, &job, &i))
|
||||
return NULL;
|
||||
switch (job) {
|
||||
case 1:
|
||||
buflen = 80;
|
||||
output_buf = new char[buflen];
|
||||
iok = kin_getReactionString(kin, i, 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;
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
/* List of functions defined in the module */
|
||||
|
||||
static PyMethodDef ct_methods[] = {
|
||||
{"KineticsFromXML", kin_newFromXML, METH_VARARGS},
|
||||
{"delete", kin_delete, METH_VARARGS},
|
||||
{"nspecies", kin_nspecies, METH_VARARGS},
|
||||
{"nreactions", kin_nrxns, METH_VARARGS},
|
||||
{"isreversible", kin_isrev, METH_VARARGS},
|
||||
{"rstoichcoeff", kin_rstoichcoeff, METH_VARARGS},
|
||||
{"pstoichcoeff", kin_pstoichcoeff, METH_VARARGS},
|
||||
{"rxntype", kin_rxntype, METH_VARARGS},
|
||||
{"type", kin_type, METH_VARARGS},
|
||||
{"start", kin_start, METH_VARARGS},
|
||||
{"multiplier", kin_multiplier, METH_VARARGS},
|
||||
{"setMultiplier", kin_setMultiplier, METH_VARARGS},
|
||||
{"speciesIndex", kin_speciesIndex, METH_VARARGS},
|
||||
{"getarray", kin_getarray, METH_VARARGS},
|
||||
{"getstring", kin_getstring, METH_VARARGS},
|
||||
{NULL, NULL} /* sentinel */
|
||||
};
|
||||
|
||||
|
||||
extern "C" {
|
||||
|
||||
/* Initialization function for the module (*must* be called initctkinetics) */
|
||||
|
||||
DL_EXPORT(void) initctkinetics(void)
|
||||
{
|
||||
PyObject *m, *d;
|
||||
|
||||
/* Initialize the type of the new type object here; doing it here
|
||||
* is required for portability to Windows without requiring C++. */
|
||||
|
||||
/* Create the module and add the functions */
|
||||
m = Py_InitModule("ctkinetics", ct_methods);
|
||||
import_array();
|
||||
|
||||
/* Add some symbolic constants to the module */
|
||||
d = PyModule_GetDict(m);
|
||||
ErrorObject = PyErr_NewException("cantera.error", NULL, NULL);
|
||||
PyDict_SetItemString(d, "error", ErrorObject);
|
||||
}
|
||||
|
||||
}
|
||||
|
|
@ -1,3 +1,12 @@
|
|||
/**
|
||||
* @file ctkinetics_methods.cpp
|
||||
*
|
||||
*/
|
||||
|
||||
/*
|
||||
* $Id$
|
||||
*/
|
||||
|
||||
|
||||
static PyObject*
|
||||
kin_newFromXML(PyObject *self, PyObject *args) {
|
||||
|
|
|
|||
|
|
@ -18,13 +18,20 @@
|
|||
#ifdef HAS_NUMERIC
|
||||
#include "Numeric/arrayobject.h"
|
||||
#else
|
||||
//#ifdef HAS_NUMARRAY
|
||||
#ifdef HAS_NUMARRAY
|
||||
#include "numarray/arrayobject.h"
|
||||
//#include "numpy/libnumarray.h"
|
||||
|
||||
//#else
|
||||
//#include "numpy/arrayobject.h"
|
||||
//#endif
|
||||
#else
|
||||
#ifdef HAS_NUMPY
|
||||
#include "numpy/libnumarray.h"
|
||||
#include "numpy/arrayobject.h"
|
||||
#else
|
||||
// Create a compilation error to cause the program to bomb
|
||||
#include "Numeric/arrayobject.h"
|
||||
#include "numarray/arrayobject.h"
|
||||
#include "numpy/libnumarray.h"
|
||||
#include "numpy/arrayobject.h"
|
||||
#endif
|
||||
#endif
|
||||
#endif
|
||||
|
||||
#include "ct.h"
|
||||
|
|
@ -97,11 +104,11 @@ extern "C" {
|
|||
#ifdef HAS_NUMERIC
|
||||
PyDict_SetItemString(d, "nummod",PyString_FromString("Numeric"));
|
||||
#else
|
||||
//#ifdef HAS_NUMARRAY
|
||||
#ifdef HAS_NUMARRAY
|
||||
PyDict_SetItemString(d, "nummod",PyString_FromString("numarray"));
|
||||
//#else
|
||||
//PyDict_SetItemString(d, "nummod",PyString_FromString("numpy"));
|
||||
//#endif
|
||||
#else
|
||||
PyDict_SetItemString(d, "nummod",PyString_FromString("numpy"));
|
||||
#endif
|
||||
#endif
|
||||
}
|
||||
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue