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corrected bug in addTransport

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This commit is contained in:
Dave Goodwin 2003-06-27 14:08:16 +00:00
parent 937b766c2c
commit 9dec06949a
1 changed files with 28 additions and 7 deletions
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35
Cantera/src/converters/ck2ctml.cpp
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@ -143,6 +143,7 @@ namespace ctml {
int nel = sp.elements.size();
int m, num;
string nm, str="";
doublereal charge = 0.0;
for (m = 0; m < nel; m++) {
/*
* Copy the element name into the string, nm. Lower case the
@ -161,12 +162,18 @@ namespace ctml {
* Add the name and number to end of the string, str
*/
str += " "+nm+":"+int2str(num)+" ";
/* if the species contains the special element E (electron),
* then set the charge.
*/
if (nm == "E") charge = -sp.elements[m].number;
}
/*
* Add the child element, atomArray, to the species xml node.
*/
spx.addChild("atomArray", str);
addFloat(spx,"charge",charge);
XML_Node& cp1 = spx.addChild("thermo");
addNASA(cp1, sp.lowCoeffs, sp.highCoeffs,
sp.tlow, sp.tmid, sp.thigh);
@ -353,10 +360,16 @@ namespace ctml {
}
#else
trdata t;
s >> t.name >> t.geom >> t.welldepth >> t.diam
>> t.dipole >> t.polar >> t.rot;
if (t.name != "") {
indx[t.name] = t;
s >> t.name;
if (t.name[0] != '!' && !s.eof()) {
s >> t.geom >> t.welldepth >> t.diam
>> t.dipole >> t.polar >> t.rot;
// get the rest of the line, in case there are comments
getline(s, rest);
if (t.name != "") {
indx[t.name] = t;
}
}
#endif
}
@ -527,8 +540,16 @@ namespace ctml {
if (trfile != "") {
ifstream ftr(trfile.c_str());
XML_Node& sparray = *root.findByName("speciesData");
addTransport(ftr, sparray);
if (!ftr) {
throw CanteraError("convert_ck",
"could not open transport database.");
}
XML_Node* sparray = root.findByName("speciesData");
if (sparray) {
addTransport(ftr, *sparray);
}
else
throw CanteraError("convert_ck", "could not find speciesData");
ftr.close();
}