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Use execeptions to simplify usage of ElemRearrange

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This commit is contained in:
Ray Speth 2014-07-10 22:36:36 +00:00
parent 7af153c75f
commit 5ebdb7e924
3 changed files with 6 additions and 9 deletions
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4
include/cantera/equil/MultiPhase.h
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@ -750,7 +750,9 @@ size_t BasisOptimize(int* usedZeroedSpecies, bool doFormRxn,
* @param[out] orderVectorElements Output vector containing the order of the
* elements that is necessary for calculation of the formula matrix.
*
* @ingroup equilfunctions
* @ingroup equilfunctions
* @deprecated - The return value for this function is deprecated. After
* Cantera 2.2, this function will return void.
*/
size_t ElemRearrange(size_t nComponents, const vector_fp& elementAbundances,
MultiPhase* mphase,

3
src/equil/BasisOptimize.cpp
View file

@ -563,11 +563,10 @@ size_t Cantera::ElemRearrange(size_t nComponents, const vector_fp& elementAbunda
if (k == nelements) {
// When we are here, there is an error usually.
// We haven't found the number of elements necessary.
// This is signalled by returning jr != nComponents.
if (DEBUG_MODE_ENABLED && BasisOptimize_print_lvl > 0) {
writelogf("Error exit: returning with nComponents = %d\n", jr);
}
return jr;
throw CanteraError("ElemRearrange", "Required number of elements not found.");
}
/*

8
src/equil/ChemEquil.cpp
View file

@ -273,12 +273,8 @@ int ChemEquil::estimateElementPotentials(thermo_t& s, vector_fp& lambda_RT,
s.setMoleFractions(DATA_PTR(xMF_est));
s.getMoleFractions(DATA_PTR(xMF_est));
size_t nct = Cantera::ElemRearrange(m_nComponents, elMolesGoal, &mp,
m_orderVectorSpecies, m_orderVectorElements);
if (nct != m_nComponents) {
throw CanteraError("ChemEquil::estimateElementPotentials",
"confused");
}
ElemRearrange(m_nComponents, elMolesGoal, &mp,
m_orderVectorSpecies, m_orderVectorElements);
s.getChemPotentials(DATA_PTR(mu_RT));
doublereal rrt = 1.0/(GasConstant* s.temperature());