void RedlichKisterVPSSTP::readXMLBinarySpecies(XML_Node& xmLBinarySpecies)
{
std::string xname = xmLBinarySpecies.name();
if (xname != "binaryNeutralSpeciesParameters") {
throw CanteraError("RedlichKisterVPSSTP::readXMLBinarySpecies",
"Incorrect name for processing this routine: " + xname);
}
size_t Npoly = 0;
vector_fp hParams, sParams;
std::string iName = xmLBinarySpecies.attrib("speciesA");
if (iName == "") {
throw CanteraError("RedlichKisterVPSSTP::readXMLBinarySpecies", "no speciesA attrib");
}
std::string jName = xmLBinarySpecies.attrib("speciesB");
if (jName == "") {
throw CanteraError("RedlichKisterVPSSTP::readXMLBinarySpecies", "no speciesB attrib");
}
/*
* Find the index of the species in the current phase. It's not
* an error to not find the species. This means that the interaction doesn't occur for the current
* implementation of the phase.
*/
size_t iSpecies = speciesIndex(iName);
if (iSpecies == npos) {
return;
}
string ispName = speciesName(iSpecies);
if (charge(iSpecies) != 0) {
throw CanteraError("RedlichKisterVPSSTP::readXMLBinarySpecies", "speciesA charge problem");
}
size_t jSpecies = speciesIndex(jName);
if (jSpecies == npos) {
return;
}
std::string jspName = speciesName(jSpecies);
if (charge(jSpecies) != 0) {
throw CanteraError("RedlichKisterVPSSTP::readXMLBinarySpecies", "speciesB charge problem");
}
/*
* Ok we have found a valid interaction
*/
numBinaryInteractions_++;
size_t iSpot = numBinaryInteractions_ - 1;
m_pSpecies_A_ij.resize(numBinaryInteractions_);
m_pSpecies_B_ij.resize(numBinaryInteractions_);
m_pSpecies_A_ij[iSpot] = iSpecies;
m_pSpecies_B_ij[iSpot] = jSpecies;
for (size_t iChild = 0; iChild < xmLBinarySpecies.nChildren(); iChild++) {
XML_Node& xmlChild = xmLBinarySpecies.child(iChild);
string nodeName = lowercase(xmlChild.name());
/*
* Process the binary species interaction child elements
*/
if (nodeName == "excessenthalpy") {
/*
* Get the string containing all of the values
*/
getFloatArray(xmlChild, hParams, true, "toSI", "excessEnthalpy");
Npoly = std::max(hParams.size(), Npoly);
}
if (nodeName == "excessentropy") {
/*
* Get the string containing all of the values
*/
getFloatArray(xmlChild, sParams, true, "toSI", "excessEntropy");
Npoly = std::max(sParams.size(), Npoly);
}
}
hParams.resize(Npoly, 0.0);
sParams.resize(Npoly, 0.0);
m_HE_m_ij.push_back(hParams);
m_SE_m_ij.push_back(sParams);
m_N_ij.push_back(Npoly);
resizeNumInteractions(numBinaryInteractions_);
}
void MixedSolventElectrolyte::readXMLBinarySpecies(XML_Node& xmLBinarySpecies)
{
string xname = xmLBinarySpecies.name();
if (xname != "binaryNeutralSpeciesParameters") {
throw CanteraError("MixedSolventElectrolyte::readXMLBinarySpecies",
"Incorrect name for processing this routine: " + xname);
}
string stemp;
size_t nParamsFound;
vector_fp vParams;
string iName = xmLBinarySpecies.attrib("speciesA");
if (iName == "") {
throw CanteraError("MixedSolventElectrolyte::readXMLBinarySpecies", "no speciesA attrib");
}
string jName = xmLBinarySpecies.attrib("speciesB");
if (jName == "") {
throw CanteraError("MixedSolventElectrolyte::readXMLBinarySpecies", "no speciesB attrib");
}
/*
* Find the index of the species in the current phase. It's not
* an error to not find the species
*/
size_t iSpecies = speciesIndex(iName);
if (iSpecies == npos) {
return;
}
string ispName = speciesName(iSpecies);
if (charge(iSpecies) != 0) {
throw CanteraError("MixedSolventElectrolyte::readXMLBinarySpecies", "speciesA charge problem");
}
size_t jSpecies = speciesIndex(jName);
if (jSpecies == npos) {
return;
}
string jspName = speciesName(jSpecies);
if (charge(jSpecies) != 0) {
throw CanteraError("MixedSolventElectrolyte::readXMLBinarySpecies", "speciesB charge problem");
}
resizeNumInteractions(numBinaryInteractions_ + 1);
size_t iSpot = numBinaryInteractions_ - 1;
m_pSpecies_A_ij[iSpot] = iSpecies;
m_pSpecies_B_ij[iSpot] = jSpecies;
size_t num = xmLBinarySpecies.nChildren();
for (size_t iChild = 0; iChild < num; iChild++) {
XML_Node& xmlChild = xmLBinarySpecies.child(iChild);
stemp = xmlChild.name();
string nodeName = lowercase(stemp);
/*
* Process the binary species interaction child elements
*/
if (nodeName == "excessenthalpy") {
/*
* Get the string containing all of the values
*/
ctml::getFloatArray(xmlChild, vParams, true, "toSI", "excessEnthalpy");
nParamsFound = vParams.size();
if (nParamsFound != 2) {
throw CanteraError("MixedSolventElectrolyte::readXMLBinarySpecies::excessEnthalpy for " + ispName
+ "::" + jspName,
"wrong number of params found");
}
m_HE_b_ij[iSpot] = vParams[0];
m_HE_c_ij[iSpot] = vParams[1];
}
if (nodeName == "excessentropy") {
/*
* Get the string containing all of the values
*/
ctml::getFloatArray(xmlChild, vParams, true, "toSI", "excessEntropy");
nParamsFound = vParams.size();
if (nParamsFound != 2) {
throw CanteraError("MixedSolventElectrolyte::readXMLBinarySpecies::excessEntropy for " + ispName
+ "::" + jspName,
"wrong number of params found");
}
m_SE_b_ij[iSpot] = vParams[0];
m_SE_c_ij[iSpot] = vParams[1];
}
if (nodeName == "excessvolume_enthalpy") {
/*
* Get the string containing all of the values
*/
ctml::getFloatArray(xmlChild, vParams, true, "toSI", "excessVolume_Enthalpy");
nParamsFound = vParams.size();
if (nParamsFound != 2) {
throw CanteraError("MixedSolventElectrolyte::readXMLBinarySpecies::excessVolume_Enthalpy for " + ispName
+ "::" + jspName,
"wrong number of params found");
}
m_VHE_b_ij[iSpot] = vParams[0];
m_VHE_c_ij[iSpot] = vParams[1];
}
if (nodeName == "excessvolume_entropy") {
/*
* Get the string containing all of the values
*/
ctml::getFloatArray(xmlChild, vParams, true, "toSI", "excessVolume_Entropy");
nParamsFound = vParams.size();
if (nParamsFound != 2) {
throw CanteraError("MixedSolventElectrolyte::readXMLBinarySpecies::excessVolume_Entropy for " + ispName
+ "::" + jspName,
"wrong number of params found");
}
m_VSE_b_ij[iSpot] = vParams[0];
m_VSE_c_ij[iSpot] = vParams[1];
}
}
}
