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9 changed files with 37 additions and 27 deletions
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@ -901,9 +901,9 @@ extern "C" {
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}
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int DLL_EXPORT ck_to_cti(char* in_file, char* db_file,
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char* tr_file, char* id_tag) {
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return pip::convert_ck(in_file, db_file, tr_file, id_tag);
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}
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// int DLL_EXPORT ck_to_cti(char* in_file, char* db_file,
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// char* tr_file, char* id_tag) {
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// return pip::convert_ck(in_file, db_file, tr_file, id_tag);
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// }
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}
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@ -29,7 +29,7 @@ def isentropic(g = None):
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"""
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if g == None:
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gas = IdealGasMix('gri30.xml')
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gas = GRI30()
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gas.setState_TPX(1200.0,10.0*OneAtm,'H2:1,N2:0.1')
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else:
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gas = g
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@ -57,18 +57,18 @@ ct_readlog(PyObject *self, PyObject *args)
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return Py_BuildValue("s","");
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}
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static PyObject *
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ct_ck2cti(PyObject *self, PyObject *args)
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{
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int iok;
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char *infile, *thermo, *tran, *idtag;
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if (!PyArg_ParseTuple(args, "ssss:ck2cti", &infile,
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&thermo, &tran, &idtag))
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return NULL;
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iok = ck_to_cti(infile, thermo, tran, idtag);
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if (iok == -1) { return reportCanteraError();}
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return Py_BuildValue("i",iok);
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}
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// static PyObject *
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// ct_ck2cti(PyObject *self, PyObject *args)
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// {
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// int iok;
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// char *infile, *thermo, *tran, *idtag;
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// if (!PyArg_ParseTuple(args, "ssss:ck2cti", &infile,
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// &thermo, &tran, &idtag))
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// return NULL;
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// iok = ck_to_cti(infile, thermo, tran, idtag);
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// if (iok == -1) { return reportCanteraError();}
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// return Py_BuildValue("i",iok);
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// }
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@ -85,7 +85,7 @@ static PyMethodDef ct_methods[] = {
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{"ct_print", ct_print, METH_VARARGS},
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{"ct_refcnt", ct_refcnt, METH_VARARGS},
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{"readlog", ct_readlog, METH_VARARGS},
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{"ck2cti", ct_ck2cti, METH_VARARGS},
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//{"ck2cti", ct_ck2cti, METH_VARARGS},
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{"buildSolutionFromXML", ct_buildSolutionFromXML, METH_VARARGS},
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{"Flow", py_flow_new, METH_VARARGS},
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@ -166,14 +166,15 @@ namespace Cantera {
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void SurfPhase::
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setCoveragesByName(string cov) {
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int kk = nSpecies();
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int k;
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compositionMap cc;
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for (int k = 0; k < kk; k++) {
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for (k = 0; k < kk; k++) {
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cc[speciesName(k)] = -1.0;
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}
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parseCompString(cov, cc);
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doublereal c;
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vector_fp cv(kk);
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for (int k = 0; k < kk; k++) {
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for (k = 0; k < kk; k++) {
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c = cc[speciesName(k)];
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if (c > 0.0) cv[k] = c;
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}
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@ -14,7 +14,10 @@
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#include <string>
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#include <stdlib.h>
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#include "ctml.h"
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#ifndef WIN32
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#include "pypath.h"
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#endif
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using namespace Cantera;
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@ -41,7 +44,7 @@ namespace ctml {
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f << "from Cantera import *\n";
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f.close();
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int ierr = 0;
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string cmd = pypath() + " " + path + " &> " + tmpDir() + "/log";
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string cmd = pypath() + " " + path + " > " + tmpDir() + "/log";
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try {
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ierr = system(cmd.c_str());
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if (ierr != 0) {
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@ -82,7 +85,7 @@ namespace ctml {
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<< "execfile(file)\n"
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<< "write()\n";
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f.close();
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string cmd = pypath() + " " + path + " &> ct2ctml.log";
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string cmd = pypath() + " " + path + " > ct2ctml.log";
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int ierr;
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try {
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ierr = system(cmd.c_str());
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@ -40,8 +40,12 @@ namespace Cantera {
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*/
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class Application {
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public:
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Application() : linelen(0), stop_on_error(false),
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Application() : linelen(0), stop_on_error(false),
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#ifdef WIN32
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tmp_dir(".") {}
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#else
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tmp_dir("/tmp") {}
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#endif
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virtual ~Application() {
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map<string, XML_Node*>::iterator pos;
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for (pos = xmlfiles.begin(); pos != xmlfiles.end(); ++pos) {
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@ -163,7 +163,8 @@ namespace Cantera {
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m_eps = tr.eps;
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m_alpha = tr.alpha;
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m_dipoleDiag.resize(m_nsp);
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for (int i = 0; i < m_nsp; i++) {
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int i;
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for (i = 0; i < m_nsp; i++) {
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m_dipoleDiag[i] = tr.dipole(i,i);
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}
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@ -217,7 +218,7 @@ namespace Cantera {
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// precompute and store log(epsilon_ij/k_B)
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m_log_eps_k.resize(m_nsp, m_nsp);
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int i, j;
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int j;
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for (i = 0; i < m_nsp; i++) {
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for (j = i; j < m_nsp; j++) {
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m_log_eps_k(i,j) = log(tr.epsilon(i,j)/Boltzmann);
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@ -821,7 +821,8 @@ namespace Cantera {
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}
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const vector<XML_Node*> &vsc = root->children();
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for (int n = 0; n < root->nChildren(); n++) {
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int n;
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for (n = 0; n < root->nChildren(); n++) {
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sc = vsc[n];
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if (sc->name() == "phase") {
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if (idtarget == "") return sc;
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@ -829,7 +830,7 @@ namespace Cantera {
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if (idtarget == idattrib) return sc;
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}
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}
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for (int n = 0; n < root->nChildren(); n++) {
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for (n = 0; n < root->nChildren(); n++) {
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sc = vsc[n];
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if (sc->name() != "phase") {
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scResult = findXMLPhase(sc, idtarget);
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