diff --git a/include/cantera/kinetics/AqueousKinetics.h b/include/cantera/kinetics/AqueousKinetics.h index 28d884338..6a5f06ac7 100644 --- a/include/cantera/kinetics/AqueousKinetics.h +++ b/include/cantera/kinetics/AqueousKinetics.h @@ -372,7 +372,7 @@ public: protected: - size_t m_kk, m_nfall; + size_t m_nfall; Rate1 m_rates; diff --git a/include/cantera/kinetics/GasKinetics.h b/include/cantera/kinetics/GasKinetics.h index f64b52fdc..dab35e75a 100644 --- a/include/cantera/kinetics/GasKinetics.h +++ b/include/cantera/kinetics/GasKinetics.h @@ -392,7 +392,7 @@ public: protected: - size_t m_kk, m_nfall; + size_t m_nfall; std::vector m_fallindx; diff --git a/include/cantera/kinetics/InterfaceKinetics.h b/include/cantera/kinetics/InterfaceKinetics.h index 1a5464f96..afd07d1e9 100644 --- a/include/cantera/kinetics/InterfaceKinetics.h +++ b/include/cantera/kinetics/InterfaceKinetics.h @@ -646,10 +646,6 @@ protected: //! Temporary work vector of length m_kk vector_fp m_grt; - //! m_kk is the number of species in all of the phases - //! that participate in this kinetics mechanism. - size_t m_kk; - //! List of reactions numbers which are reversible reactions /*! * This is a vector of reaction numbers. Each reaction diff --git a/include/cantera/kinetics/Kinetics.h b/include/cantera/kinetics/Kinetics.h index e9b193430..1dfeafd92 100644 --- a/include/cantera/kinetics/Kinetics.h +++ b/include/cantera/kinetics/Kinetics.h @@ -977,8 +977,9 @@ protected: //! Number of reactions in the mechanism size_t m_ii; - //! Number of species in the species vector for this kinetics operator - size_t m_nTotalSpecies; + //! The number of species in all of the phases + //! that participate in this kinetics mechanism. + size_t m_kk; /// Vector of perturbation factors for each reaction's rate of /// progress vector. It is initialized to one. diff --git a/src/kinetics/AqueousKinetics.cpp b/src/kinetics/AqueousKinetics.cpp index d772f6e4f..b3ec02d25 100644 --- a/src/kinetics/AqueousKinetics.cpp +++ b/src/kinetics/AqueousKinetics.cpp @@ -70,7 +70,6 @@ AqueousKineticsData& AqueousKineticsData::operator=(const AqueousKineticsData& */ AqueousKinetics::AqueousKinetics(thermo_t* thermo) : Kinetics(), - m_kk(0), m_nfall(0), m_nirrev(0), m_nrev(0), @@ -86,7 +85,6 @@ AqueousKinetics::AqueousKinetics(thermo_t* thermo) : //==================================================================================================================== AqueousKinetics::AqueousKinetics(const AqueousKinetics& right) : Kinetics(), - m_kk(0), m_nfall(0), m_nirrev(0), m_nrev(0), @@ -109,7 +107,6 @@ AqueousKinetics& AqueousKinetics::operator=(const AqueousKinetics& right) Kinetics::operator=(right); - m_kk = right.m_kk; m_nfall = right.m_nfall; m_rates = right.m_rates; m_index = right.m_index; diff --git a/src/kinetics/GasKinetics.cpp b/src/kinetics/GasKinetics.cpp index 7aea82875..562d71851 100644 --- a/src/kinetics/GasKinetics.cpp +++ b/src/kinetics/GasKinetics.cpp @@ -78,7 +78,6 @@ GasKineticsData& GasKineticsData::operator=(const GasKineticsData& right) GasKinetics:: GasKinetics(thermo_t* thermo) : Kinetics(), - m_kk(0), m_nfall(0), m_nirrev(0), m_nrev(0), @@ -95,7 +94,6 @@ GasKinetics(thermo_t* thermo) : //==================================================================================================================== GasKinetics::GasKinetics(const GasKinetics& right) : Kinetics(), - m_kk(0), m_nfall(0), m_nirrev(0), m_nrev(0), @@ -121,7 +119,6 @@ GasKinetics& GasKinetics::operator=(const GasKinetics& right) Kinetics::operator=(right); - m_kk = right.m_kk; m_nfall = right.m_nfall; m_fallindx = right.m_fallindx; m_falloff_low_rates = right.m_falloff_low_rates; diff --git a/src/kinetics/InterfaceKinetics.cpp b/src/kinetics/InterfaceKinetics.cpp index 10e8916cb..d1f0e6d29 100644 --- a/src/kinetics/InterfaceKinetics.cpp +++ b/src/kinetics/InterfaceKinetics.cpp @@ -70,7 +70,6 @@ InterfaceKineticsData& InterfaceKineticsData::operator=(const InterfaceKineticsD */ InterfaceKinetics::InterfaceKinetics(thermo_t* thermo) : Kinetics(), - m_kk(0), m_redo_rates(false), m_nirrev(0), m_nrev(0), @@ -122,7 +121,6 @@ InterfaceKinetics::~InterfaceKinetics() */ InterfaceKinetics::InterfaceKinetics(const InterfaceKinetics& right) : Kinetics(), - m_kk(0), m_redo_rates(false), m_nirrev(0), m_nrev(0), @@ -178,7 +176,6 @@ operator=(const InterfaceKinetics& right) Kinetics::operator=(right); m_grt = right.m_grt; - m_kk = right.m_kk; m_revindex = right.m_revindex; m_rates = right.m_rates; m_redo_rates = right.m_redo_rates; @@ -1324,9 +1321,7 @@ void InterfaceKinetics::finalize() "expected interface dimension = 2, but got dimension = " +int2str(m_surf->nDim())); - - - m_StandardConc.resize(m_nTotalSpecies, 0.0); + m_StandardConc.resize(m_kk, 0.0); m_deltaG0.resize(m_ii, 0.0); m_ProdStanConcReac.resize(m_ii, 0.0); diff --git a/src/kinetics/Kinetics.cpp b/src/kinetics/Kinetics.cpp index 2afdcc0df..460e3bb77 100644 --- a/src/kinetics/Kinetics.cpp +++ b/src/kinetics/Kinetics.cpp @@ -25,7 +25,7 @@ namespace Cantera Kinetics::Kinetics() : m_ii(0), - m_nTotalSpecies(0), + m_kk(0), m_perturb(0), m_reactants(0), m_products(0), @@ -49,7 +49,7 @@ Kinetics::~Kinetics() {} */ Kinetics::Kinetics(const Kinetics& right) : m_ii(0), - m_nTotalSpecies(0), + m_kk(0), m_perturb(0), m_reactants(0), m_products(0), @@ -85,7 +85,7 @@ operator=(const Kinetics& right) } m_ii = right.m_ii; - m_nTotalSpecies = right.m_nTotalSpecies; + m_kk = right.m_kk; m_perturb = right.m_perturb; m_reactants = right.m_reactants; m_products = right.m_products; @@ -355,10 +355,10 @@ void Kinetics::addPhase(thermo_t& thermo) void Kinetics::finalize() { - m_nTotalSpecies = 0; + m_kk = 0; for (size_t n = 0; n < nPhases(); n++) { size_t nsp = m_thermo[n]->nSpecies(); - m_nTotalSpecies += nsp; + m_kk += nsp; } }