diff --git a/Cantera/src/equil/vcs_MultiPhaseEquil.cpp b/Cantera/src/equil/vcs_MultiPhaseEquil.cpp index 789e1b69f..02d51d716 100644 --- a/Cantera/src/equil/vcs_MultiPhaseEquil.cpp +++ b/Cantera/src/equil/vcs_MultiPhaseEquil.cpp @@ -1065,12 +1065,13 @@ namespace VCSnonideal { } /* - * --------------------------------------------------------------------------------------- + * * * HKM -> Work on transfering the current value of the voltages into the * equilibrium problem. */ - int vcs_Cantera_to_vprob(MultiPhase *mphase, VCS_PROB *vprob) { + int vcs_Cantera_to_vprob(Cantera::MultiPhase *mphase, + VCSnonideal::VCS_PROB *vprob) { int k; VCS_SPECIES_THERMO *ts_ptr = 0; @@ -1508,7 +1509,8 @@ namespace VCSnonideal { /* * The basic problem has already been set up. */ - int vcs_Cantera_update_vprob(MultiPhase *mphase, VCS_PROB *vprob) { + int vcs_Cantera_update_vprob(Cantera::MultiPhase *mphase, + VCSnonideal::VCS_PROB *vprob) { int totNumPhases = mphase->nPhases(); int kT = 0; std::vector tmpMoles; diff --git a/Cantera/src/equil/vcs_MultiPhaseEquil.h b/Cantera/src/equil/vcs_MultiPhaseEquil.h index 3d2750473..49318b808 100644 --- a/Cantera/src/equil/vcs_MultiPhaseEquil.h +++ b/Cantera/src/equil/vcs_MultiPhaseEquil.h @@ -53,6 +53,9 @@ namespace Cantera { * ChemEquil will be tried first, and if it fails * vcs_MultiPhaseEquil will be tried. * + * @param rtol Relative tolerance of the solve. Defaults to + * 1.0E-9. + * * @param maxsteps The maximum number of steps to take to find * the solution. * @@ -105,6 +108,9 @@ namespace Cantera { * - 1 MultiPhaseEquil solver * - 2 VCSnonideal Solver (default) * + * @param rtol Relative tolerance of the solve. Defaults to + * 1.0E-9. + * * @param maxsteps The maximum number of steps to take to find * the solution. * @@ -138,8 +144,8 @@ namespace Cantera { * * @param s The object to set to an equilibrium state * - * @param XY An integer specifying the two properties to be held - * constant. + * @param ixy An integer specifying the two properties to be held + * constant. * * @param estimateEquil Boolean indicating whether the solver * should estimate its own initial condition. @@ -156,6 +162,9 @@ namespace Cantera { * - 1 MultiPhaseEquil solver * - 2 VCSnonideal Solver (default) * + * @param rtol Relative tolerance of the solve. Defaults to + * 1.0E-9. + * * @param maxsteps The maximum number of steps to take to find * the solution. * @@ -209,7 +218,6 @@ namespace VCSnonideal { int vcs_Cantera_update_vprob(Cantera::MultiPhase *mphase, VCSnonideal::VCS_PROB *vprob); - //! Cantera's Interface to the Multiphase chemical equilibrium solver. /*! * Class MultiPhaseEquil is designed to be used to set a mixture @@ -225,6 +233,7 @@ namespace VCSnonideal { */ class vcs_MultiPhaseEquil { public: + //! Shorthand for the MultiPhase mixture object used by Cantera //! to store information about multiple phases typedef Cantera::MultiPhase mix_t; @@ -270,6 +279,10 @@ namespace VCSnonideal { * Returns the index of the ith component in the equilibrium * calculation. The index refers to the ordering of the species * in the MultiPhase object. + * + * @param m Index of the component. Must be between 0 and the + * number of components, which can be obtained from the + * numComponents() command. */ int component(int m) const ; @@ -502,8 +515,8 @@ namespace VCSnonideal { * problem hasn't been solved yet, it returns -1. */ int numElemConstraints() const; - - //index_t componentIndex(index_t n) { return m_species[m_order[n]]; } + + // Friend functions friend int vcs_Cantera_to_vprob(Cantera::MultiPhase *mphase, VCSnonideal::VCS_PROB *vprob); @@ -512,14 +525,6 @@ namespace VCSnonideal { protected: - - //! Number of elements in the combined element object describing all of the - //! phases. - //index_t m_nel; - - //! Number of species in the combined multiphase object - //index_t m_nsp; - //! Vector that takes into account of the current sorting of the species /*! * The index of m_order is the original k value of the species in the @@ -566,13 +571,13 @@ namespace VCSnonideal { */ int m_printLvl; - //! Stoichiometric matrix /*! * */ matrix_t m_N; + //! Iteration Count int m_iter; //! Vector of indices for species that are included in the