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Added better error handling for the XML routine.

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Added a couple of TODOs
This commit is contained in:
Harry Moffat 2014-04-19 01:31:21 +00:00
parent c16227a919
commit 96b01a6c79
1 changed files with 44 additions and 29 deletions
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73
src/thermo/MargulesVPSSTP.cpp
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@ -724,7 +724,7 @@ void MargulesVPSSTP::getdlnActCoeffdlnN(const size_t ld, doublereal* dlnActCoeff
}
}
}
//=====================================================================================================================
void MargulesVPSSTP::resizeNumInteractions(const size_t num)
{
numBinaryInteractions_ = num;
@ -744,7 +744,7 @@ void MargulesVPSSTP::resizeNumInteractions(const size_t num)
m_pSpecies_A_ij.resize(num, npos);
m_pSpecies_B_ij.resize(num, npos);
}
//=====================================================================================================================
void MargulesVPSSTP::readXMLBinarySpecies(XML_Node& xmLBinarySpecies)
{
string xname = xmLBinarySpecies.name();
@ -755,46 +755,60 @@ void MargulesVPSSTP::readXMLBinarySpecies(XML_Node& xmLBinarySpecies)
string stemp;
size_t nParamsFound;
vector_fp vParams;
string iName = xmLBinarySpecies.attrib("speciesA");
if (iName == "") {
string aName = xmLBinarySpecies.attrib("speciesA");
if (aName == "") {
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies", "no speciesA attrib");
}
string jName = xmLBinarySpecies.attrib("speciesB");
if (jName == "") {
string bName = xmLBinarySpecies.attrib("speciesB");
if (bName == "") {
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies", "no speciesB attrib");
}
/*
* Find the index of the species in the current phase. It's not
* an error to not find the species
* an error to not find the species. What this means is that the A-B interaction referred to in this
* block will be ignored.
*/
size_t iSpecies = speciesIndex(iName);
if (iSpecies == npos) {
size_t aSpecies = speciesIndex(aName);
if (aSpecies == npos) {
return;
}
string ispName = speciesName(iSpecies);
if (charge(iSpecies) != 0) {
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies", "speciesA charge problem");
string aspName = speciesName(aSpecies);
//
// @TODO Figure out what the original reason is for putting an error condition for charged species
// Seems OK to me.
//
double chargeA = charge(aSpecies);
if (chargeA != 0.0) {
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies", "speciesA has a charge: " + fp2str(chargeA));
}
size_t jSpecies = speciesIndex(jName);
if (jSpecies == npos) {
size_t bSpecies = speciesIndex(bName);
if (bSpecies == npos) {
return;
}
string jspName = speciesName(jSpecies);
if (charge(jSpecies) != 0) {
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies", "speciesB charge problem");
string bspName = speciesName(bSpecies);
double chargeB = charge(bSpecies);
if (chargeB != 0.0) {
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies", "speciesB has a charge: " + fp2str(chargeB));
}
resizeNumInteractions(numBinaryInteractions_ + 1);
size_t iSpot = numBinaryInteractions_ - 1;
m_pSpecies_A_ij[iSpot] = iSpecies;
m_pSpecies_B_ij[iSpot] = jSpecies;
m_pSpecies_A_ij[iSpot] = aSpecies;
m_pSpecies_B_ij[iSpot] = bSpecies;
for (size_t iChild = 0; iChild < xmLBinarySpecies.nChildren(); iChild++) {
XML_Node& xmlChild = xmLBinarySpecies.child(iChild);
stemp = xmlChild.name();
string nodeName = lowercase(stemp);
/*
* Process the binary species interaction child elements
* Process the binary species interaction parameters.
* They are in subblocks labeled:
* excessEnthalpy
* excessEntropy
* excessVolume_Enthalpy
* excessVolume_Entropy
* Other blocks are currently ignored.
* @TODO determine a policy about ignoring blocks that should or shouldn't be there.
*/
if (nodeName == "excessenthalpy") {
/*
@ -804,8 +818,8 @@ void MargulesVPSSTP::readXMLBinarySpecies(XML_Node& xmLBinarySpecies)
nParamsFound = vParams.size();
if (nParamsFound != 2) {
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies::excessEnthalpy for " + ispName
+ "::" + jspName,
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies::excessEnthalpy for " + aspName
+ "::" + bspName,
"wrong number of params found. Need 2");
}
m_HE_b_ij[iSpot] = vParams[0];
@ -820,8 +834,8 @@ void MargulesVPSSTP::readXMLBinarySpecies(XML_Node& xmLBinarySpecies)
nParamsFound = vParams.size();
if (nParamsFound != 2) {
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies::excessEntropy for " + ispName
+ "::" + jspName,
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies::excessEntropy for " + aspName
+ "::" + bspName,
"wrong number of params found. Need 2");
}
m_SE_b_ij[iSpot] = vParams[0];
@ -836,8 +850,8 @@ void MargulesVPSSTP::readXMLBinarySpecies(XML_Node& xmLBinarySpecies)
nParamsFound = vParams.size();
if (nParamsFound != 2) {
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies::excessVolume_Enthalpy for " + ispName
+ "::" + jspName,
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies::excessVolume_Enthalpy for " + aspName
+ "::" + bspName,
"wrong number of params found. Need 2");
}
m_VHE_b_ij[iSpot] = vParams[0];
@ -852,8 +866,8 @@ void MargulesVPSSTP::readXMLBinarySpecies(XML_Node& xmLBinarySpecies)
nParamsFound = vParams.size();
if (nParamsFound != 2) {
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies::excessVolume_Entropy for " + ispName
+ "::" + jspName,
throw CanteraError("MargulesVPSSTP::readXMLBinarySpecies::excessVolume_Entropy for " + aspName
+ "::" + bspName,
"wrong number of params found. Need 2");
}
m_VSE_b_ij[iSpot] = vParams[0];
@ -861,5 +875,6 @@ void MargulesVPSSTP::readXMLBinarySpecies(XML_Node& xmLBinarySpecies)
}
}
}
//=====================================================================================================================
}
//=====================================================================================================================