[Kinetics] Eliminate unnecessary m_rrxn and m_prxn variables

This information can be extracted from the Reaction objects as-needed.

include/cantera/kinetics/Kinetics.h

@@ -938,26 +938,6 @@ class Kinetics
     //! Vector of Reaction objects represented by this Kinetics manager
     std::vector<shared_ptr<Reaction> > m_reactions;
 
-    //!  m_rrxn is a vector of maps, containing the reactant
-    //!  stoichiometric coefficient information
-    /*!
-     *  m_rrxn has a length equal to the total number of species in the
-     *  kinetics object. For each species, there exists a map, with the
-     *  reaction number being the key, and the reactant stoichiometric
-     *  coefficient for the species being the value.
-     */
-    std::vector<std::map<size_t, doublereal> > m_rrxn;
-
-    //!  m_prxn is a vector of maps, containing the reactant
-    //!  stoichiometric coefficient information
-    /**
-     *  m_prxn is a vector of maps. m_prxn has a length equal to the total
-     *  number of species in the kinetics object. For each species, there
-     *  exists a map, with the reaction number being the key, and the product
-     *  stoichiometric coefficient for the species being the value.
-     */
-    std::vector<std::map<size_t, doublereal> > m_prxn;
-
     std::vector<int> m_rxntype;
 
     //! m_thermo is a vector of pointers to ThermoPhase objects that are

include/cantera/thermo/ShomatePoly.h

@@ -115,10 +115,10 @@ class ShomatePoly : public SpeciesThermoInterpType
      *   - `t[4] = log(t)`
      *   - `t[5] = 1.0/t;
      *
-     * @param tt      Vector of temperature polynomials
-     * @param cp_R    Vector of Dimensionless heat capacities. (length m_kk).
-     * @param h_RT    Vector of Dimensionless enthalpies. (length m_kk).
-     * @param s_R     Vector of Dimensionless entropies. (length m_kk).
+     * @param[in] tt           Array of evaluated temperature functions
+     * @param[out] cp_R    Dimensionless heat capacity
+     * @param[out] h_RT    Dimensionless enthalpy
+     * @param[out] s_R     Dimensionless entropy
      */
     virtual void updateProperties(const doublereal* tt,
                                   doublereal* cp_R, doublereal* h_RT,

src/kinetics/BulkKinetics.cpp

@@ -156,8 +156,6 @@ void BulkKinetics::modifyElementaryReaction(size_t i, ElementaryReaction& rNew)
 void BulkKinetics::init()
 {
     m_kk = thermo().nSpecies();
-    m_rrxn.resize(m_kk);
-    m_prxn.resize(m_kk);
     m_conc.resize(m_kk);
     m_grt.resize(m_kk);
 }

src/kinetics/InterfaceKinetics.cpp

@@ -952,8 +952,6 @@ void InterfaceKinetics::init()
     for (size_t n = 0; n < nPhases(); n++) {
         m_kk += thermo(n).nSpecies();
     }
-    m_rrxn.resize(m_kk);
-    m_prxn.resize(m_kk);
     m_actConc.resize(m_kk);
     m_conc.resize(m_kk);
     m_mu0.resize(m_kk);

src/kinetics/Kinetics.cpp

@@ -51,8 +51,6 @@ Kinetics& Kinetics::operator=(const Kinetics& right)
     m_kk                = right.m_kk;
     m_perturb           = right.m_perturb;
     m_reactions = right.m_reactions;
-    m_rrxn = right.m_rrxn;
-    m_prxn = right.m_prxn;
     m_rxntype = right.m_rxntype;
 
     m_thermo            = right.m_thermo; //  DANGER -> shallow pointer copy
@@ -422,12 +420,14 @@ size_t Kinetics::speciesPhaseIndex(size_t k)
 
 double Kinetics::reactantStoichCoeff(size_t kSpec, size_t irxn) const
 {
-    return getValue(m_rrxn[kSpec], irxn, 0.0);
+    return getValue(m_reactions[irxn]->reactants, kineticsSpeciesName(kSpec),
+                    0.0);
 }
 
 double Kinetics::productStoichCoeff(size_t kSpec, size_t irxn) const
 {
-    return getValue(m_prxn[kSpec], irxn, 0.0);
+    return getValue(m_reactions[irxn]->products, kineticsSpeciesName(kSpec),
+                    0.0);
 }
 
 void Kinetics::getFwdRatesOfProgress(doublereal* fwdROP)
@@ -607,7 +607,6 @@ bool Kinetics::addReaction(shared_ptr<Reaction> r)
         size_t k = kineticsSpeciesIndex(iter->first);
         rk.push_back(k);
         rstoich.push_back(iter->second);
-        m_rrxn[k][irxn] = iter->second;
     }
 
     for (Composition::const_iterator iter = r->products.begin();
@@ -616,7 +615,6 @@ bool Kinetics::addReaction(shared_ptr<Reaction> r)
         size_t k = kineticsSpeciesIndex(iter->first);
         pk.push_back(k);
         pstoich.push_back(iter->second);
-        m_prxn[k][irxn] = iter->second;
     }
 
     // The default order for each reactant is its stoichiometric coefficient,