diff --git a/include/cantera/kinetics/Kinetics.h b/include/cantera/kinetics/Kinetics.h index fde553b45..b886de188 100644 --- a/include/cantera/kinetics/Kinetics.h +++ b/include/cantera/kinetics/Kinetics.h @@ -806,17 +806,6 @@ public: m_skipUndeclaredThirdBodies = skip; } - virtual void installGroups(size_t irxn, const std::vector& r, - const std::vector& p); - - virtual const std::vector& reactantGroups(size_t i) { - return m_rgroups[i]; - } - - virtual const std::vector& productGroups(size_t i) { - return m_pgroups[i]; - } - //@} //! @name Altering Reaction Rates /*! diff --git a/src/kinetics/Kinetics.cpp b/src/kinetics/Kinetics.cpp index 2e11725a0..99be32d85 100644 --- a/src/kinetics/Kinetics.cpp +++ b/src/kinetics/Kinetics.cpp @@ -684,15 +684,4 @@ shared_ptr Kinetics::reaction(size_t i) return m_reactions[i]; } - -void Kinetics::installGroups(size_t irxn, const vector& r, - const vector& p) -{ - if (!r.empty()) { - writelog("installing groups for reaction "+int2str(irxn)); - m_rgroups[irxn] = r; - m_pgroups[irxn] = p; - } -} - } diff --git a/src/kinetics/ReactionPath.cpp b/src/kinetics/ReactionPath.cpp index a38ad8b40..3b4294b5b 100644 --- a/src/kinetics/ReactionPath.cpp +++ b/src/kinetics/ReactionPath.cpp @@ -449,56 +449,13 @@ int ReactionPathBuilder::findGroups(ostream& logfile, Kinetics& s) } } - size_t nr = r.size(); - size_t np = p.size(); - Group b0, b1, bb; vector& e = m_elementSymbols; - const vector& rgroups = s.reactantGroups(i); - const vector& pgroups = s.productGroups(i); - if (m_determinate[i]) { logfile << " ... OK." << endl; - } - - else if (rgroups.size() > 0) { - logfile << " ... specified groups." << endl; - size_t nrg = rgroups.size(); - size_t npg = pgroups.size(); - size_t kr, kp, ngrpr, ngrpp; - Group gr, gp; - - if (nrg != nr || npg != np) { - return -1; - } - - // loop over reactants - for (size_t igr = 0; igr < nrg; igr++) { - kr = r[igr]; - ngrpr = rgroups[igr].size(); - - // loop over products - for (size_t igp = 0; igp < npg; igp++) { - kp = p[igp]; - ngrpp = pgroups[igp].size(); - - // loop over pairs of reactant and product groups - for (size_t kgr = 0; kgr < ngrpr; kgr++) { - gr = Group(rgroups[igr][kgr]); - for (size_t kgp = 0; kgp < ngrpp; kgp++) { - gp = Group(pgroups[igp][kgp]); - if (gr == gp) { - m_transfer[i][kr][kp] = gr; - } - } - } - } - } - } - - else if (nrnet == 2 && npnet == 2) { + } else if (nrnet == 2 && npnet == 2) { // indices for the two reactants size_t kr0 = m_reac[i][0]; size_t kr1 = m_reac[i][1];