From 808f088ffd7c38f0aae4506382988215d7ae28ec Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Wed, 27 May 2015 18:27:25 -0400 Subject: [PATCH] Merge namespace VCSnonideal with namespace Cantera --- include/cantera/equil/vcs_MultiPhaseEquil.h | 36 ++++++----------- include/cantera/equil/vcs_SpeciesProperties.h | 2 +- include/cantera/equil/vcs_VolPhase.h | 20 ++++------ include/cantera/equil/vcs_defs.h | 7 ++-- include/cantera/equil/vcs_internal.h | 17 ++++---- include/cantera/equil/vcs_prob.h | 4 +- include/cantera/equil/vcs_solve.h | 14 +++---- include/cantera/equil/vcs_species_thermo.h | 2 +- src/equil/MultiPhase.cpp | 2 +- src/equil/vcs_Gibbs.cpp | 2 +- src/equil/vcs_MultiPhaseEquil.cpp | 23 +++++------ src/equil/vcs_SpeciesProperties.cpp | 2 +- src/equil/vcs_TP.cpp | 2 +- src/equil/vcs_VolPhase.cpp | 40 +++++++++---------- src/equil/vcs_elem.cpp | 8 ++-- src/equil/vcs_elem_rearrange.cpp | 4 +- src/equil/vcs_equilibrate.cpp | 4 +- src/equil/vcs_inest.cpp | 4 +- src/equil/vcs_nondim.cpp | 17 ++++---- src/equil/vcs_phaseStability.cpp | 5 +-- src/equil/vcs_prep.cpp | 2 +- src/equil/vcs_prob.cpp | 9 ++--- src/equil/vcs_rank.cpp | 6 +-- src/equil/vcs_rearrange.cpp | 2 +- src/equil/vcs_report.cpp | 4 +- src/equil/vcs_root1d.cpp | 4 +- src/equil/vcs_rxnadj.cpp | 4 +- src/equil/vcs_setMolesLinProg.cpp | 2 +- src/equil/vcs_solve.cpp | 21 +++++----- src/equil/vcs_solve_TP.cpp | 16 ++++---- src/equil/vcs_solve_phaseStability.cpp | 2 +- src/equil/vcs_species_thermo.cpp | 18 ++++----- src/equil/vcs_util.cpp | 9 ++--- .../VCSnonideal/LatticeSolid_LiSi/latsol.cpp | 6 +-- .../VCSnonideal/NaCl_equil/nacl_equil.cpp | 2 +- 35 files changed, 140 insertions(+), 182 deletions(-) diff --git a/include/cantera/equil/vcs_MultiPhaseEquil.h b/include/cantera/equil/vcs_MultiPhaseEquil.h index 246dc197d..c95c5ec9d 100644 --- a/include/cantera/equil/vcs_MultiPhaseEquil.h +++ b/include/cantera/equil/vcs_MultiPhaseEquil.h @@ -159,13 +159,6 @@ int vcs_equilibrate_1(MultiPhase& s, int ixy, int vcs_determine_PhaseStability(MultiPhase& s, int iphase, double& funcStab, int printLvl, int loglevel); -} - -//! Contains classes and functions implementing the VCS multi-phase -//! equilibrium solver. -namespace VCSnonideal -{ - //! Translate a MultiPhase object into a VCS_PROB problem definition object /*! * @param mphase MultiPhase object that is the source for all of the information @@ -174,8 +167,7 @@ namespace VCSnonideal * Note, both objects share the underlying ThermoPhase objects. So, neither * can be const objects. */ -int vcs_Cantera_to_vprob(Cantera::MultiPhase* mphase, - VCSnonideal::VCS_PROB* vprob); +int vcs_Cantera_to_vprob(MultiPhase* mphase, VCS_PROB* vprob); //! Translate a MultiPhase information into a VCS_PROB problem definition object /*! @@ -185,8 +177,7 @@ int vcs_Cantera_to_vprob(Cantera::MultiPhase* mphase, * @param mphase MultiPhase object that is the source for all of the information * @param vprob VCS_PROB problem definition that gets all of the information */ -int vcs_Cantera_update_vprob(Cantera::MultiPhase* mphase, - VCSnonideal::VCS_PROB* vprob); +int vcs_Cantera_update_vprob(MultiPhase* mphase, VCS_PROB* vprob); //! %Cantera's Interface to the Multiphase chemical equilibrium solver. /*! @@ -224,7 +215,7 @@ public: * - 4: Print a table for each iteration * - 5: Print more than a table for each iteration */ - vcs_MultiPhaseEquil(Cantera::MultiPhase* mix, int printLvl); + vcs_MultiPhaseEquil(MultiPhase* mix, int printLvl); virtual ~vcs_MultiPhaseEquil() {} @@ -254,7 +245,7 @@ public: * @param nu Vector of coefficients for the formation reaction. Length is * equal to the number of species in the MultiPhase object. */ - void getStoichVector(size_t rxn, Cantera::vector_fp& nu); + void getStoichVector(size_t rxn, vector_fp& nu); //! return the number of iterations int iterations() const { @@ -458,10 +449,8 @@ public: size_t numElemConstraints() const; // Friend functions - friend int vcs_Cantera_to_vprob(Cantera::MultiPhase* mphase, - VCSnonideal::VCS_PROB* vprob); - friend int vcs_Cantera_update_vprob(Cantera::MultiPhase* mphase, - VCSnonideal::VCS_PROB* vprob); + friend int vcs_Cantera_to_vprob(MultiPhase* mphase, VCS_PROB* vprob); + friend int vcs_Cantera_update_vprob(MultiPhase* mphase, VCS_PROB* vprob); protected: //! Vector that takes into account of the current sorting of the species @@ -472,7 +461,7 @@ protected: * * `m_order[korig] = k_sorted` */ - Cantera::vector_int m_order; + vector_int m_order; //! Object which contains the problem statement /*! @@ -483,13 +472,13 @@ protected: * constraints. All of these make the problem statement different than * the simple element conservation statement. */ - VCSnonideal::VCS_PROB m_vprob; + VCS_PROB m_vprob; //! Pointer to the MultiPhase mixture that will be equilibrated. /*! * Equilibrium solutions will be returned via this variable. */ - Cantera::MultiPhase* m_mix; + MultiPhase* m_mix; //! Print level from the VCSnonlinear package /*! @@ -507,7 +496,7 @@ protected: int m_printLvl; //! Stoichiometric matrix - Cantera::DenseMatrix m_N; + DenseMatrix m_N; //! Iteration Count int m_iter; @@ -516,14 +505,14 @@ protected: /*! * This is used to exclude pure-phase species with invalid thermo data */ - Cantera::vector_int m_species; + vector_int m_species; //! The object that does all of the equilibration work. /*! * VCS_SOLVE will have different ordering for species and element constraints * than this object or the VCS_PROB object. */ - VCSnonideal::VCS_SOLVE m_vsolve; + VCS_SOLVE m_vsolve; }; //! Global hook for turning on and off time printing. @@ -535,4 +524,5 @@ protected: extern int vcs_timing_print_lvl; } + #endif diff --git a/include/cantera/equil/vcs_SpeciesProperties.h b/include/cantera/equil/vcs_SpeciesProperties.h index ae76d246c..02f1ac782 100644 --- a/include/cantera/equil/vcs_SpeciesProperties.h +++ b/include/cantera/equil/vcs_SpeciesProperties.h @@ -5,7 +5,7 @@ #include #include -namespace VCSnonideal +namespace Cantera { class VCS_SPECIES_THERMO; diff --git a/include/cantera/equil/vcs_VolPhase.h b/include/cantera/equil/vcs_VolPhase.h index 97eeb1d29..6f28f3387 100644 --- a/include/cantera/equil/vcs_VolPhase.h +++ b/include/cantera/equil/vcs_VolPhase.h @@ -18,10 +18,6 @@ namespace Cantera { class ThermoPhase; -} - -namespace VCSnonideal -{ //! Models for the standard state volume of each species #define VCS_SSVOL_IDEALGAS 0 @@ -286,7 +282,7 @@ public: * j = id of the species mole number * k = id of the species activity coefficient */ - void sendToVCS_LnActCoeffJac(Cantera::Array2D& LnACJac_VCS); + void sendToVCS_LnActCoeffJac(Array2D& LnACJac_VCS); //! Set the pointer for Cantera's ThermoPhase parameter /*! @@ -296,13 +292,13 @@ public: * @param tp_ptr Pointer to the ThermoPhase object corresponding * to this phase. */ - void setPtrThermoPhase(Cantera::ThermoPhase* tp_ptr); + void setPtrThermoPhase(ThermoPhase* tp_ptr); //! Return a const ThermoPhase pointer corresponding to this phase /*! * @return pointer to the ThermoPhase. */ - const Cantera::ThermoPhase* ptrThermoPhase() const; + const ThermoPhase* ptrThermoPhase() const; //! Return the total moles in the phase /*! @@ -488,14 +484,14 @@ public: * * @param tPhase Pointer to the ThermoPhase object */ - size_t transferElementsFM(const Cantera::ThermoPhase* const tPhase); + size_t transferElementsFM(const ThermoPhase* const tPhase); //! Get a constant form of the Species Formula Matrix /*! * Returns a `double**` pointer such that `fm[e][f]` is the formula * matrix entry for element `e` for species `k` */ - const Cantera::Array2D& getFormulaMatrix() const; + const Array2D& getFormulaMatrix() const; //! Returns the type of the species unknown /*! @@ -676,7 +672,7 @@ private: * FormulaMatrix(kspec,j) = Formula Matrix for the species * Number of elements, j, in the kspec species */ - Cantera::Array2D m_formulaMatrix; + Array2D m_formulaMatrix; //! Type of the species unknown /*! @@ -757,7 +753,7 @@ private: * If we are using Cantera, this is the pointer to the ThermoPhase * object. If not, this is null. */ - Cantera::ThermoPhase* TP_ptr; + ThermoPhase* TP_ptr; //! Total mols in the phase. units are kmol double v_totalMoles; @@ -836,7 +832,7 @@ private: * - j = id of the species mole number * - k = id of the species activity coefficient */ - mutable Cantera::Array2D np_dLnActCoeffdMolNumber; + mutable Array2D np_dLnActCoeffdMolNumber; //! Status /*! diff --git a/include/cantera/equil/vcs_defs.h b/include/cantera/equil/vcs_defs.h index 6f1dc245c..7fd44ab17 100644 --- a/include/cantera/equil/vcs_defs.h +++ b/include/cantera/equil/vcs_defs.h @@ -11,9 +11,8 @@ #ifndef VCS_DEFS_H #define VCS_DEFS_H -namespace VCSnonideal +namespace Cantera { - /*! * ERROR CODES * @@ -377,7 +376,9 @@ namespace VCSnonideal #define VCS_STATECALC_TMP 3 //@} - } +// namespace alias for backward compatibility +namespace VCSnonideal = Cantera; + #endif diff --git a/include/cantera/equil/vcs_internal.h b/include/cantera/equil/vcs_internal.h index 70acf361e..08171153c 100644 --- a/include/cantera/equil/vcs_internal.h +++ b/include/cantera/equil/vcs_internal.h @@ -12,11 +12,8 @@ #define _VCS_INTERNAL_H #include "cantera/base/global.h" - -namespace VCSnonideal +namespace Cantera { -using Cantera::npos; - //! Points to the data in a std::vector<> object #define VCS_DATA_PTR(vvv) (&(vvv[0])) @@ -24,14 +21,14 @@ using Cantera::npos; /*! * We can replace this with printf easily */ -#define plogf Cantera::writelogf +#define plogf writelogf //! define this Cantera function to replace cout << endl; /*! * We use this to place an endl in the log file, and * ensure that the IO buffers are flushed. */ -#define plogendl() Cantera::writelogendl() +#define plogendl() writelogendl() //! Global hook for turning on and off time printing. /*! @@ -198,10 +195,10 @@ typedef double(*VCS_FUNC_PTR)(double xval, double Vtarget, * double thetaR = Pi/2.0; * int printLvl = 4; * - * iconv = VCSnonideal::vcsUtil_root1d(thetamin, thetamax, maxit, - * funcZero, - * (void *) 0, 0.0, 0, - * &thetaR, printLvl); + * iconv = vcsUtil_root1d(thetamin, thetamax, maxit, + * funcZero, + * (void *) 0, 0.0, 0, + * &thetaR, printLvl); * printf("theta = %g\n", thetaR); * double h2Final = calc_h2_farfield(thetaR); * printf("h2Final = %g\n", h2Final); diff --git a/include/cantera/equil/vcs_prob.h b/include/cantera/equil/vcs_prob.h index faac6fc65..38f33a102 100644 --- a/include/cantera/equil/vcs_prob.h +++ b/include/cantera/equil/vcs_prob.h @@ -13,7 +13,7 @@ #include "cantera/base/Array.h" -namespace VCSnonideal +namespace Cantera { class vcs_VolPhase; @@ -87,7 +87,7 @@ public: /*! * FormulaMatrix(kspec,j) = Number of elements, j, in the kspec species */ - Cantera::Array2D FormulaMatrix; + Array2D FormulaMatrix; //! Specifies the species unknown type /*! diff --git a/include/cantera/equil/vcs_solve.h b/include/cantera/equil/vcs_solve.h index 27380aa16..9dac4f68d 100644 --- a/include/cantera/equil/vcs_solve.h +++ b/include/cantera/equil/vcs_solve.h @@ -1,6 +1,6 @@ /** * @file vcs_solve.h Header file for the internal object that holds the vcs - * equilibrium problem (see Class \link VCSnonideal::VCS_SOLVE + * equilibrium problem (see Class \link Cantera::VCS_SOLVE * VCS_SOLVE\endlink and \ref equilfunctions ). */ /* @@ -28,7 +28,7 @@ #include "cantera/equil/vcs_internal.h" #include "cantera/base/Array.h" -namespace VCSnonideal +namespace Cantera { /* * Forward references @@ -1531,7 +1531,7 @@ public: * * Both element and species indices are swapped. */ - Cantera::Array2D m_formulaMatrix; + Array2D m_formulaMatrix; //! Stoichiometric coefficient matrix for the reaction mechanism expressed in Reduced Canonical Form. /*! @@ -1549,7 +1549,7 @@ public: * * size = nelements0 x nspecies0 */ - Cantera::Array2D m_stoichCoeffRxnMatrix; + Array2D m_stoichCoeffRxnMatrix; //! Absolute size of the stoichiometric coefficients /*! @@ -1629,11 +1629,11 @@ public: /*! * m_deltaMolNumPhase(iphase,irxn) = k = nc + irxn */ - Cantera::Array2D m_deltaMolNumPhase; + Array2D m_deltaMolNumPhase; //! This is 1 if the phase, iphase, participates in the formation reaction //! irxn, and zero otherwise. PhaseParticipation(iphase,irxn) - Cantera::Array2D m_phaseParticipation; + Array2D m_phaseParticipation; //! electric potential of the iph phase std::vector m_phasePhi; @@ -1931,7 +1931,7 @@ public: * This is a temporary array that gets regenerated every time it's * needed. It is not swapped wrt species. */ - Cantera::Array2D m_np_dLnActCoeffdMolNum; + Array2D m_np_dLnActCoeffdMolNum; //! Molecular weight of each species /*! diff --git a/include/cantera/equil/vcs_species_thermo.h b/include/cantera/equil/vcs_species_thermo.h index ea0dcfe1f..08a846e30 100644 --- a/include/cantera/equil/vcs_species_thermo.h +++ b/include/cantera/equil/vcs_species_thermo.h @@ -11,7 +11,7 @@ #include -namespace VCSnonideal +namespace Cantera { class vcs_VolPhase; diff --git a/src/equil/MultiPhase.cpp b/src/equil/MultiPhase.cpp index e96e442d3..9b46b2ce2 100644 --- a/src/equil/MultiPhase.cpp +++ b/src/equil/MultiPhase.cpp @@ -769,7 +769,7 @@ void MultiPhase::equilibrate(const std::string& XY, const std::string& solver, if (solver == "auto" || solver == "vcs") { try { writelog("Trying VCS equilibrium solver\n", log_level); - VCSnonideal::vcs_MultiPhaseEquil eqsolve(this, log_level-1); + vcs_MultiPhaseEquil eqsolve(this, log_level-1); int ret = eqsolve.equilibrate(ixy, estimate_equil, log_level-1, rtol, max_steps); if (ret) { diff --git a/src/equil/vcs_Gibbs.cpp b/src/equil/vcs_Gibbs.cpp index ac35ab0ff..6602a0d0b 100644 --- a/src/equil/vcs_Gibbs.cpp +++ b/src/equil/vcs_Gibbs.cpp @@ -11,7 +11,7 @@ #include "cantera/equil/vcs_solve.h" #include "cantera/equil/vcs_VolPhase.h" -namespace VCSnonideal +namespace Cantera { double VCS_SOLVE::vcs_Total_Gibbs(double* molesSp, double* chemPot, double* tPhMoles) diff --git a/src/equil/vcs_MultiPhaseEquil.cpp b/src/equil/vcs_MultiPhaseEquil.cpp index 02a052577..fa08144fe 100644 --- a/src/equil/vcs_MultiPhaseEquil.cpp +++ b/src/equil/vcs_MultiPhaseEquil.cpp @@ -20,10 +20,9 @@ #include -using namespace Cantera; using namespace std; -namespace VCSnonideal +namespace Cantera { vcs_MultiPhaseEquil::vcs_MultiPhaseEquil() : m_vprob(0, 0, 0), @@ -32,7 +31,7 @@ vcs_MultiPhaseEquil::vcs_MultiPhaseEquil() : { } -vcs_MultiPhaseEquil::vcs_MultiPhaseEquil(Cantera::MultiPhase* mix, int printLvl) : +vcs_MultiPhaseEquil::vcs_MultiPhaseEquil(MultiPhase* mix, int printLvl) : m_vprob(mix->nSpecies(), mix->nElements(), mix->nPhases()), m_mix(0), m_printLvl(printLvl) @@ -527,7 +526,7 @@ int vcs_MultiPhaseEquil::equilibrate_TP(int estimateEquil, size_t kGlob = 0; for (size_t ip = 0; ip < m_vprob.NPhase; ip++) { double phaseMole = 0.0; - Cantera::ThermoPhase& tref = m_mix->phase(ip); + ThermoPhase& tref = m_mix->phase(ip); for (size_t k = 0; k < tref.nSpecies(); k++, kGlob++) { phaseMole += m_vprob.w[kGlob]; } @@ -623,7 +622,7 @@ void vcs_MultiPhaseEquil::reportCSV(const std::string& reportFile) vol = 0.0; for (size_t iphase = 0; iphase < nphase; iphase++) { size_t istart = m_mix->speciesIndex(0, iphase); - Cantera::ThermoPhase& tref = m_mix->phase(iphase); + ThermoPhase& tref = m_mix->phase(iphase); size_t nSpecies = tref.nSpecies(); VolPM.resize(nSpecies, 0.0); tref.getPartialMolarVolumes(VCS_DATA_PTR(VolPM)); @@ -648,7 +647,7 @@ void vcs_MultiPhaseEquil::reportCSV(const std::string& reportFile) for (size_t iphase = 0; iphase < nphase; iphase++) { size_t istart = m_mix->speciesIndex(0, iphase); - Cantera::ThermoPhase& tref = m_mix->phase(iphase); + ThermoPhase& tref = m_mix->phase(iphase); string phaseName = tref.name(); vcs_VolPhase* volP = m_vprob.VPhaseList[iphase]; double TMolesPhase = volP->totalMoles(); @@ -751,8 +750,7 @@ void vcs_MultiPhaseEquil::reportCSV(const std::string& reportFile) * HKM -> Work on transferring the current value of the voltages into the * equilibrium problem. */ -int vcs_Cantera_to_vprob(Cantera::MultiPhase* mphase, - VCSnonideal::VCS_PROB* vprob) +int vcs_Cantera_to_vprob(MultiPhase* mphase, VCS_PROB* vprob) { VCS_SPECIES_THERMO* ts_ptr = 0; @@ -787,7 +785,7 @@ int vcs_Cantera_to_vprob(Cantera::MultiPhase* mphase, /* * Get the ThermoPhase object - assume volume phase */ - Cantera::ThermoPhase* tPhase = &(mphase->phase(iphase)); + ThermoPhase* tPhase = &(mphase->phase(iphase)); size_t nelem = tPhase->nElements(); /* @@ -1141,8 +1139,7 @@ int vcs_Cantera_to_vprob(Cantera::MultiPhase* mphase, return VCS_SUCCESS; } -int vcs_Cantera_update_vprob(Cantera::MultiPhase* mphase, - VCSnonideal::VCS_PROB* vprob) +int vcs_Cantera_update_vprob(MultiPhase* mphase, VCS_PROB* vprob) { size_t totNumPhases = mphase->nPhases(); size_t kT = 0; @@ -1157,7 +1154,7 @@ int vcs_Cantera_update_vprob(Cantera::MultiPhase* mphase, vprob->Vol = mphase->volume(); for (size_t iphase = 0; iphase < totNumPhases; iphase++) { - Cantera::ThermoPhase* tPhase = &(mphase->phase(iphase)); + ThermoPhase* tPhase = &(mphase->phase(iphase)); vcs_VolPhase* volPhase = vprob->VPhaseList[iphase]; /* * Set the electric potential of the volume phase from the @@ -1265,7 +1262,7 @@ int vcs_Cantera_update_vprob(Cantera::MultiPhase* mphase, return VCS_SUCCESS; } -void vcs_MultiPhaseEquil::getStoichVector(size_t rxn, Cantera::vector_fp& nu) +void vcs_MultiPhaseEquil::getStoichVector(size_t rxn, vector_fp& nu) { size_t nsp = m_vsolve.m_numSpeciesTot; nu.resize(nsp, 0.0); diff --git a/src/equil/vcs_SpeciesProperties.cpp b/src/equil/vcs_SpeciesProperties.cpp index 81ef308d4..23315fa9a 100644 --- a/src/equil/vcs_SpeciesProperties.cpp +++ b/src/equil/vcs_SpeciesProperties.cpp @@ -5,7 +5,7 @@ using namespace std; -namespace VCSnonideal +namespace Cantera { vcs_SpeciesProperties::vcs_SpeciesProperties(size_t indexPhase, diff --git a/src/equil/vcs_TP.cpp b/src/equil/vcs_TP.cpp index b54111982..1af7c1e9d 100644 --- a/src/equil/vcs_TP.cpp +++ b/src/equil/vcs_TP.cpp @@ -2,7 +2,7 @@ #include "cantera/equil/vcs_solve.h" #include "cantera/equil/vcs_VolPhase.h" -namespace VCSnonideal +namespace Cantera { int VCS_SOLVE::vcs_TP(int ipr, int ip1, int maxit, double T_arg, double pres_arg) { diff --git a/src/equil/vcs_VolPhase.cpp b/src/equil/vcs_VolPhase.cpp index 29f6ebbf0..715b1e897 100644 --- a/src/equil/vcs_VolPhase.cpp +++ b/src/equil/vcs_VolPhase.cpp @@ -17,9 +17,7 @@ #include #include -using namespace Cantera; - -namespace VCSnonideal +namespace Cantera { vcs_VolPhase::vcs_VolPhase(VCS_SOLVE* owningSolverObject) : @@ -724,7 +722,7 @@ double vcs_VolPhase::_updateVolPM() const if (m_totalMolesInert > 0.0) { if (m_gasPhase) { - double volI = m_totalMolesInert * Cantera::GasConstant * Temp_ / Pres_; + double volI = m_totalMolesInert * GasConstant * Temp_ / Pres_; m_totalVol += volI; } else { throw CanteraError("vcs_VolPhase::_updateVolPM", "unknown situation"); @@ -812,7 +810,7 @@ void vcs_VolPhase::_updateLnActCoeffJac() _updateActCoeff(); } -void vcs_VolPhase::sendToVCS_LnActCoeffJac(Cantera::Array2D& np_LnACJac_VCS) +void vcs_VolPhase::sendToVCS_LnActCoeffJac(Array2D& np_LnACJac_VCS) { /* * update the Ln Act Coeff Jacobian entries with respect to the @@ -833,7 +831,7 @@ void vcs_VolPhase::sendToVCS_LnActCoeffJac(Cantera::Array2D& np_LnACJac_VCS) } } -void vcs_VolPhase::setPtrThermoPhase(Cantera::ThermoPhase* tp_ptr) +void vcs_VolPhase::setPtrThermoPhase(ThermoPhase* tp_ptr) { TP_ptr = tp_ptr; if (TP_ptr) { @@ -863,16 +861,16 @@ void vcs_VolPhase::setPtrThermoPhase(Cantera::ThermoPhase* tp_ptr) } else { int eos = TP_ptr->eosType(); switch (eos) { - case Cantera::cIdealGas: - case Cantera::cIncompressible: - case Cantera::cSurf: - case Cantera::cMetal: - case Cantera::cStoichSubstance: - case Cantera::cSemiconductor: - case Cantera::cLatticeSolid: - case Cantera::cLattice: - case Cantera::cEdge: - case Cantera::cIdealSolidSolnPhase: + case cIdealGas: + case cIncompressible: + case cSurf: + case cMetal: + case cStoichSubstance: + case cSemiconductor: + case cLatticeSolid: + case cLattice: + case cEdge: + case cIdealSolidSolnPhase: m_isIdealSoln = true; break; default: @@ -887,7 +885,7 @@ void vcs_VolPhase::setPtrThermoPhase(Cantera::ThermoPhase* tp_ptr) } } -const Cantera::ThermoPhase* vcs_VolPhase::ptrThermoPhase() const +const ThermoPhase* vcs_VolPhase::ptrThermoPhase() const { return TP_ptr; } @@ -1121,7 +1119,7 @@ std::string vcs_VolPhase::elementName(const size_t e) const } //! This function decides whether a phase has charged species or not. -static bool hasChargedSpecies(const Cantera::ThermoPhase* const tPhase) +static bool hasChargedSpecies(const ThermoPhase* const tPhase) { for (size_t k = 0; k < tPhase->nSpecies(); k++) { if (tPhase->charge(k) != 0.0) { @@ -1137,7 +1135,7 @@ static bool hasChargedSpecies(const Cantera::ThermoPhase* const tPhase) * phase. It does this by searching for charged species. If it * finds one, and if the phase needs one, then it returns true. */ -static bool chargeNeutralityElement(const Cantera::ThermoPhase* const tPhase) +static bool chargeNeutralityElement(const ThermoPhase* const tPhase) { int hasCharge = hasChargedSpecies(tPhase); if (tPhase->chargeNeutralityNecessary()) { @@ -1148,7 +1146,7 @@ static bool chargeNeutralityElement(const Cantera::ThermoPhase* const tPhase) return false; } -size_t vcs_VolPhase::transferElementsFM(const Cantera::ThermoPhase* const tPhase) +size_t vcs_VolPhase::transferElementsFM(const ThermoPhase* const tPhase) { size_t nebase = tPhase->nElements(); size_t ne = nebase; @@ -1280,7 +1278,7 @@ void vcs_VolPhase::setElementType(const size_t e, const int eType) m_elementType[e] = eType; } -const Cantera::Array2D& vcs_VolPhase::getFormulaMatrix() const +const Array2D& vcs_VolPhase::getFormulaMatrix() const { return m_formulaMatrix; } diff --git a/src/equil/vcs_elem.cpp b/src/equil/vcs_elem.cpp index 53d8d2f55..d0530acb4 100644 --- a/src/equil/vcs_elem.cpp +++ b/src/equil/vcs_elem.cpp @@ -8,9 +8,7 @@ #include "cantera/base/ctexceptions.h" #include "cantera/numerics/ctlapack.h" -using namespace Cantera; - -namespace VCSnonideal +namespace Cantera { void VCS_SOLVE::vcs_elab() { @@ -41,8 +39,8 @@ bool VCS_SOLVE::vcs_elabcheck(int ibound) */ if (m_elType[i] == VCS_ELEM_TYPE_CHARGENEUTRALITY && m_elemAbundancesGoal[i] != 0.0) { - throw Cantera::CanteraError("VCS_SOLVE::vcs_elabcheck", - "Problem with charge neutrality condition"); + throw CanteraError("VCS_SOLVE::vcs_elabcheck", + "Problem with charge neutrality condition"); } if (m_elemAbundancesGoal[i] == 0.0 || (m_elType[i] == VCS_ELEM_TYPE_ELECTRONCHARGE)) { double scale = VCS_DELETE_MINORSPECIES_CUTOFF; diff --git a/src/equil/vcs_elem_rearrange.cpp b/src/equil/vcs_elem_rearrange.cpp index 1802b5bda..71c11c558 100644 --- a/src/equil/vcs_elem_rearrange.cpp +++ b/src/equil/vcs_elem_rearrange.cpp @@ -14,9 +14,7 @@ #include "cantera/base/stringUtils.h" #include "cantera/base/ctexceptions.h" -using namespace Cantera; - -namespace VCSnonideal +namespace Cantera { int VCS_SOLVE::vcs_elem_rearrange(double* const aw, double* const sa, diff --git a/src/equil/vcs_equilibrate.cpp b/src/equil/vcs_equilibrate.cpp index c98399d36..cefe7bda2 100644 --- a/src/equil/vcs_equilibrate.cpp +++ b/src/equil/vcs_equilibrate.cpp @@ -120,7 +120,7 @@ int vcs_equilibrate_1(MultiPhase& s, int ixy, if (solver == 2) { try { - VCSnonideal::vcs_MultiPhaseEquil* eqsolve = new VCSnonideal::vcs_MultiPhaseEquil(&s, printLvlSub); + vcs_MultiPhaseEquil* eqsolve = new vcs_MultiPhaseEquil(&s, printLvlSub); int err = eqsolve->equilibrate(ixy, estimateEquil, printLvlSub, tol, maxsteps, loglevel); if (err != 0) { retn = -1; @@ -167,7 +167,7 @@ int vcs_determine_PhaseStability(MultiPhase& s, int iphase, s.init(); try { - VCSnonideal::vcs_MultiPhaseEquil* eqsolve = new VCSnonideal::vcs_MultiPhaseEquil(&s, printLvlSub); + vcs_MultiPhaseEquil* eqsolve = new vcs_MultiPhaseEquil(&s, printLvlSub); iStab = eqsolve->determine_PhaseStability(iphase, funcStab, printLvlSub, loglevel); // hard code a csv output file. if (printLvl > 0) { diff --git a/src/equil/vcs_inest.cpp b/src/equil/vcs_inest.cpp index dab5715dd..ae34b09c6 100644 --- a/src/equil/vcs_inest.cpp +++ b/src/equil/vcs_inest.cpp @@ -13,7 +13,7 @@ #include "cantera/base/clockWC.h" -namespace VCSnonideal +namespace Cantera { static char pprefix[20] = " --- vcs_inest: "; @@ -320,7 +320,7 @@ void VCS_SOLVE::vcs_inest(double* const aw, double* const sa, double* const sm, int VCS_SOLVE::vcs_inest_TP() { int retn = 0; - Cantera::clockWC tickTock; + clockWC tickTock; if (m_doEstimateEquil > 0) { /* diff --git a/src/equil/vcs_nondim.cpp b/src/equil/vcs_nondim.cpp index aab94a033..6804b23bc 100644 --- a/src/equil/vcs_nondim.cpp +++ b/src/equil/vcs_nondim.cpp @@ -13,9 +13,7 @@ #include "cantera/base/stringUtils.h" #include "cantera/base/ctexceptions.h" -using namespace Cantera; - -namespace VCSnonideal +namespace Cantera { double VCS_SOLVE::vcs_nondim_Farad(int mu_units, double TKelvin) const { @@ -26,12 +24,11 @@ double VCS_SOLVE::vcs_nondim_Farad(int mu_units, double TKelvin) const case VCS_UNITS_MKS: case VCS_UNITS_KJMOL: case VCS_UNITS_KCALMOL: - return Cantera::ElectronCharge * Cantera::Avogadro / - (TKelvin * Cantera::GasConstant); + return ElectronCharge * Avogadro / (TKelvin * GasConstant); case VCS_UNITS_UNITLESS: - return Cantera::ElectronCharge * Cantera::Avogadro; + return ElectronCharge * Avogadro; case VCS_UNITS_KELVIN: - return Cantera::ElectronCharge * Cantera::Avogadro/ TKelvin; + return ElectronCharge * Avogadro/ TKelvin; default: throw CanteraError("vcs_nondim_Farad", "unknown units: " + int2str(mu_units)); @@ -45,15 +42,15 @@ double VCS_SOLVE::vcs_nondimMult_TP(int mu_units, double TKelvin) const } switch (mu_units) { case VCS_UNITS_KCALMOL: - return TKelvin * Cantera::GasConst_cal_mol_K * 1e-3; + return TKelvin * GasConst_cal_mol_K * 1e-3; case VCS_UNITS_UNITLESS: return 1.0; case VCS_UNITS_KJMOL: - return TKelvin * Cantera::GasConstant * 1e-6; + return TKelvin * GasConstant * 1e-6; case VCS_UNITS_KELVIN: return TKelvin; case VCS_UNITS_MKS: - return TKelvin * Cantera::GasConstant; + return TKelvin * GasConstant; default: throw CanteraError("vcs_nondimMult_TP", "unknown units: " + int2str(mu_units)); diff --git a/src/equil/vcs_phaseStability.cpp b/src/equil/vcs_phaseStability.cpp index eae49b7f7..d150e6e60 100644 --- a/src/equil/vcs_phaseStability.cpp +++ b/src/equil/vcs_phaseStability.cpp @@ -1,7 +1,7 @@ /** * @file vcs_phaseStability.cpp * Implementation class for functions associated with determining the stability of a phase - * (see Class \link VCSnonideal::VCS_SOLVE VCS_SOLVE\endlink and \ref equilfunctions ). + * (see Class \link Cantera::VCS_SOLVE VCS_SOLVE\endlink and \ref equilfunctions ). */ #include "cantera/equil/vcs_solve.h" #include "cantera/equil/vcs_VolPhase.h" @@ -9,9 +9,8 @@ #include "cantera/base/ctexceptions.h" using namespace std; -using namespace Cantera; -namespace VCSnonideal +namespace Cantera { bool VCS_SOLVE::vcs_popPhasePossible(const size_t iphasePop) const diff --git a/src/equil/vcs_prep.cpp b/src/equil/vcs_prep.cpp index fd49854fd..209097898 100644 --- a/src/equil/vcs_prep.cpp +++ b/src/equil/vcs_prep.cpp @@ -13,7 +13,7 @@ #include "cantera/equil/vcs_prob.h" #include "cantera/equil/vcs_VolPhase.h" -namespace VCSnonideal +namespace Cantera { void VCS_SOLVE::vcs_SSPhase() { diff --git a/src/equil/vcs_prob.cpp b/src/equil/vcs_prob.cpp index 0680ff6cd..660b9e0f2 100644 --- a/src/equil/vcs_prob.cpp +++ b/src/equil/vcs_prob.cpp @@ -18,10 +18,9 @@ #include -using namespace Cantera; using namespace std; -namespace VCSnonideal +namespace Cantera { VCS_PROB::VCS_PROB(size_t nsp, size_t nel, size_t nph) : @@ -336,7 +335,7 @@ size_t VCS_PROB::addOnePhaseSpecies(vcs_VolPhase* volPhase, size_t k, size_t kT) */ throw CanteraError("VCS_PROB::addOnePhaseSpecies", "Shouldn't be here"); } - const Cantera::Array2D& fm = volPhase->getFormulaMatrix(); + const Array2D& fm = volPhase->getFormulaMatrix(); for (size_t eVP = 0; eVP < volPhase->nElemConstraints(); eVP++) { size_t e = volPhase->elemGlobalIndex(eVP); AssertThrowMsg(e != npos, "VCS_PROB::addOnePhaseSpecies", @@ -397,7 +396,7 @@ void VCS_PROB::reportCSV(const std::string& reportFile) size_t istart = iK; vcs_VolPhase* volP = VPhaseList[iphase]; - const Cantera::ThermoPhase* tp = volP->ptrThermoPhase(); + const ThermoPhase* tp = volP->ptrThermoPhase(); string phaseName = volP->PhaseName; size_t nSpeciesPhase = volP->nSpecies(); volP->sendToVCS_VolPM(VCS_DATA_PTR(volPM)); @@ -425,7 +424,7 @@ void VCS_PROB::reportCSV(const std::string& reportFile) vol += VolPhaseVolumes; if (actConvention == 1) { - const Cantera::MolalityVPSSTP* mTP = static_cast(tp); + const MolalityVPSSTP* mTP = static_cast(tp); tp->getChemPotentials(VCS_DATA_PTR(mu)); mTP->getMolalities(VCS_DATA_PTR(molalities)); tp->getChemPotentials(VCS_DATA_PTR(mu)); diff --git a/src/equil/vcs_rank.cpp b/src/equil/vcs_rank.cpp index 6e31105b8..fdd14fde6 100644 --- a/src/equil/vcs_rank.cpp +++ b/src/equil/vcs_rank.cpp @@ -15,7 +15,7 @@ #include using namespace std; -namespace VCSnonideal { +namespace Cantera { static int basisOptMax1(const double * const molNum, const int n) { // int largest = 0; @@ -38,7 +38,7 @@ namespace VCSnonideal { int VCS_SOLVE::vcs_rank(const double * awtmp, size_t numSpecies, const double matrix[], size_t numElemConstraints, std::vector &compRes, std::vector& elemComp, int * const usedZeroedSpecies) const { - Cantera::warn_deprecated("VCS_SOLVE::vcs_rank", "To be removed after Cantera 2.2"); + warn_deprecated("VCS_SOLVE::vcs_rank", "To be removed after Cantera 2.2"); int lindep; size_t j, k, jl, i, l, ml; int numComponents = 0; @@ -279,7 +279,7 @@ namespace VCSnonideal { if (numComponentsR != numComponents) { printf("vcs_rank ERROR: number of components are different: %d %d\n", numComponentsR, numComponents); - throw Cantera::CanteraError("vcs_rank ERROR:", + throw CanteraError("vcs_rank ERROR:", " logical inconsistency"); exit(-1); } diff --git a/src/equil/vcs_rearrange.cpp b/src/equil/vcs_rearrange.cpp index 4d8d8bbf7..6aa888734 100644 --- a/src/equil/vcs_rearrange.cpp +++ b/src/equil/vcs_rearrange.cpp @@ -10,7 +10,7 @@ #include "cantera/equil/vcs_solve.h" -namespace VCSnonideal +namespace Cantera { int VCS_SOLVE::vcs_rearrange() { diff --git a/src/equil/vcs_report.cpp b/src/equil/vcs_report.cpp index 19aa04a4f..e1fa35e1b 100644 --- a/src/equil/vcs_report.cpp +++ b/src/equil/vcs_report.cpp @@ -9,9 +9,7 @@ #include "cantera/equil/vcs_VolPhase.h" #include "cantera/base/ctexceptions.h" -using namespace Cantera; - -namespace VCSnonideal +namespace Cantera { int VCS_SOLVE::vcs_report(int iconv) { diff --git a/src/equil/vcs_root1d.cpp b/src/equil/vcs_root1d.cpp index a8b32fded..63b641e02 100644 --- a/src/equil/vcs_root1d.cpp +++ b/src/equil/vcs_root1d.cpp @@ -14,9 +14,7 @@ #include -using namespace Cantera; - -namespace VCSnonideal +namespace Cantera { #define TOL_CONV 1.0E-5 diff --git a/src/equil/vcs_rxnadj.cpp b/src/equil/vcs_rxnadj.cpp index 2a14046cc..55779ee19 100644 --- a/src/equil/vcs_rxnadj.cpp +++ b/src/equil/vcs_rxnadj.cpp @@ -14,9 +14,7 @@ #include -using namespace Cantera; - -namespace VCSnonideal +namespace Cantera { size_t VCS_SOLVE::vcs_RxnStepSizes(int& forceComponentCalc, size_t& kSpecial) diff --git a/src/equil/vcs_setMolesLinProg.cpp b/src/equil/vcs_setMolesLinProg.cpp index ed0e29905..8940f1069 100644 --- a/src/equil/vcs_setMolesLinProg.cpp +++ b/src/equil/vcs_setMolesLinProg.cpp @@ -11,7 +11,7 @@ using namespace std; -namespace VCSnonideal +namespace Cantera { static void printProgress(const vector &spName, diff --git a/src/equil/vcs_solve.cpp b/src/equil/vcs_solve.cpp index 3fcc2bba2..a3bb713c8 100644 --- a/src/equil/vcs_solve.cpp +++ b/src/equil/vcs_solve.cpp @@ -19,9 +19,8 @@ #include "cantera/base/clockWC.h" using namespace std; -using namespace Cantera; -namespace VCSnonideal +namespace Cantera { int vcs_timing_print_lvl = 1; @@ -49,7 +48,7 @@ VCS_SOLVE::VCS_SOLVE() : m_totalMoleScale(1.0), m_useActCoeffJac(0), m_totalVol(0.0), - m_Faraday_dim(Cantera::ElectronCharge* Cantera::Avogadro), + m_Faraday_dim(ElectronCharge * Avogadro), m_VCount(0), m_debug_print_lvl(0), m_timing_print_lvl(1), @@ -77,18 +76,18 @@ void VCS_SOLVE::vcs_initSizes(const size_t nspecies0, const size_t nelements, string ser = "VCS_SOLVE: ERROR:\n\t"; if (nspecies0 <= 0) { plogf("%s Number of species is nonpositive\n", ser.c_str()); - throw Cantera::CanteraError("VCS_SOLVE()", ser + - " Number of species is nonpositive\n"); + throw CanteraError("VCS_SOLVE()", ser + + " Number of species is nonpositive\n"); } if (nelements <= 0) { plogf("%s Number of elements is nonpositive\n", ser.c_str()); - throw Cantera::CanteraError("VCS_SOLVE()", ser + - " Number of species is nonpositive\n"); + throw CanteraError("VCS_SOLVE()", ser + + " Number of species is nonpositive\n"); } if (nphase0 <= 0) { plogf("%s Number of phases is nonpositive\n", ser.c_str()); - throw Cantera::CanteraError("VCS_SOLVE()", ser + - " Number of species is nonpositive\n"); + throw CanteraError("VCS_SOLVE()", ser + + " Number of species is nonpositive\n"); } m_VCS_UnitsFormat = VCS_UNITS_UNITLESS; @@ -245,7 +244,7 @@ void VCS_SOLVE::vcs_delete_memory() int VCS_SOLVE::vcs(VCS_PROB* vprob, int ifunc, int ipr, int ip1, int maxit) { int retn = 0, iconv = 0; - Cantera::clockWC tickTock; + clockWC tickTock; int iprintTime = std::max(ipr, ip1); iprintTime = std::min(iprintTime, m_timing_print_lvl); @@ -553,7 +552,7 @@ int VCS_SOLVE::vcs_prob_specifyFully(const VCS_PROB* pub) if (pub->PresPA > 0.0) { m_pressurePA = pub->PresPA; } else { - m_pressurePA = Cantera::OneAtm; + m_pressurePA = OneAtm; } /* * TPhInertMoles[] -> must be copied over here diff --git a/src/equil/vcs_solve_TP.cpp b/src/equil/vcs_solve_TP.cpp index 9629e2322..58defcb50 100644 --- a/src/equil/vcs_solve_TP.cpp +++ b/src/equil/vcs_solve_TP.cpp @@ -19,14 +19,12 @@ #include using namespace std; -using namespace Cantera; - namespace { enum stages {MAIN, EQUILIB_CHECK, ELEM_ABUND_CHECK, RECHECK_DELETED, RETURN_A, RETURN_B}; } -namespace VCSnonideal +namespace Cantera { void VCS_SOLVE::checkDelta1(double* const dsLocal, @@ -77,7 +75,7 @@ int VCS_SOLVE::vcs_solve_TP(int print_lvl, int printDetails, int maxit) * Initialize and set up all counters */ vcs_counters_init(0); - Cantera::clockWC ticktock; + clockWC ticktock; /* * Malloc temporary space for usage in this routine and in @@ -2519,7 +2517,7 @@ int VCS_SOLVE::vcs_basopt(const bool doJustComponents, double aw[], double sa[], size_t juse = npos; size_t jlose = npos; double* scrxn_ptr; - Cantera::clockWC tickTock; + clockWC tickTock; if (DEBUG_MODE_ENABLED && m_debug_print_lvl >= 2) { plogf(" "); for (size_t i=0; i<77; i++) { @@ -3627,7 +3625,7 @@ void VCS_SOLVE::vcs_printSpeciesChemPot(const int stateCalc) const } } - double RT = m_temperature * Cantera::GasConstant; + double RT = m_temperature * GasConstant; printf(" --- CHEMICAL POT TABLE (J/kmol) Name PhID MolFR ChemoSS " " logMF Gamma Elect extra ElectrChem\n"); printf(" "); @@ -3665,7 +3663,7 @@ void VCS_SOLVE::vcs_printSpeciesChemPot(const int stateCalc) const printf(" --- "); } printf("%-24.24s", m_speciesName[kspec].c_str()); - printf(" %-3s", Cantera::int2str(iphase).c_str()); + printf(" %-3s", int2str(iphase).c_str()); printf(" % -12.4e", mfValue); printf(" % -12.4e", m_SSfeSpecies[kspec] * RT); printf(" % -12.4e", log(mfValue) * RT); @@ -4088,7 +4086,7 @@ void VCS_SOLVE::vcs_printDeltaG(const int stateCalc) actCoeff_ptr = VCS_DATA_PTR(m_actCoeffSpecies_new); tPhMoles_ptr = VCS_DATA_PTR(m_tPhaseMoles_new); } - double RT = m_temperature * Cantera::GasConstant; + double RT = m_temperature * GasConstant; bool zeroedPhase = false; if (m_debug_print_lvl >= 2) { plogf(" --- DELTA_G TABLE Components:"); @@ -4167,7 +4165,7 @@ void VCS_SOLVE::vcs_printDeltaG(const int stateCalc) feFull += log(actCoeff_ptr[kspec]) + log(mfValue); } printf("%-24.24s", m_speciesName[kspec].c_str()); - printf(" %-3s", Cantera::int2str(iphase).c_str()); + printf(" %-3s", int2str(iphase).c_str()); if (m_speciesUnknownType[kspec] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { printf(" NA "); } else { diff --git a/src/equil/vcs_solve_phaseStability.cpp b/src/equil/vcs_solve_phaseStability.cpp index 135469b53..d15be80ca 100644 --- a/src/equil/vcs_solve_phaseStability.cpp +++ b/src/equil/vcs_solve_phaseStability.cpp @@ -11,7 +11,7 @@ using namespace std; -namespace VCSnonideal +namespace Cantera { int VCS_SOLVE::vcs_PS(VCS_PROB* vprob, int iphase, int printLvl, double& feStable) diff --git a/src/equil/vcs_species_thermo.cpp b/src/equil/vcs_species_thermo.cpp index 677d02bb5..485637837 100644 --- a/src/equil/vcs_species_thermo.cpp +++ b/src/equil/vcs_species_thermo.cpp @@ -16,9 +16,7 @@ #include "cantera/equil/vcs_internal.h" using namespace std; -using namespace Cantera; - -namespace VCSnonideal +namespace Cantera { VCS_SPECIES_THERMO::VCS_SPECIES_THERMO(size_t indexPhase, size_t indexSpeciesPhase) : @@ -99,8 +97,8 @@ double VCS_SPECIES_THERMO::GStar_R_calc(size_t kglob, double TKelvin, double T = TKelvin; if (UseCanteraCalls) { if (m_VCS_UnitsFormat != VCS_UNITS_MKS) { - throw Cantera::CanteraError("VCS_SPECIES_THERMO::GStar_R_calc", - "Possible inconsistency"); + throw CanteraError("VCS_SPECIES_THERMO::GStar_R_calc", + "Possible inconsistency"); } size_t kspec = IndexSpeciesPhase; OwningPhase->setState_TP(TKelvin, pres); @@ -131,8 +129,8 @@ double VCS_SPECIES_THERMO::VolStar_calc(size_t kglob, double TKelvin, double T = TKelvin; if (UseCanteraCalls) { if (m_VCS_UnitsFormat != VCS_UNITS_MKS) { - throw Cantera::CanteraError("VCS_SPECIES_THERMO::VolStar_calc", - "Possible inconsistency"); + throw CanteraError("VCS_SPECIES_THERMO::VolStar_calc", + "Possible inconsistency"); } size_t kspec = IndexSpeciesPhase; OwningPhase->setState_TP(TKelvin, presPA); @@ -143,7 +141,7 @@ double VCS_SPECIES_THERMO::VolStar_calc(size_t kglob, double TKelvin, vol = SSStar_Vol0; break; case VCS_SSVOL_IDEALGAS: - vol= Cantera::GasConstant * T / presPA; + vol= GasConstant * T / presPA; break; default: throw CanteraError("VCS_SPECIES_THERMO::VolStar_calc", @@ -164,8 +162,8 @@ double VCS_SPECIES_THERMO::G0_R_calc(size_t kglob, double TKelvin) } if (UseCanteraCalls) { if (m_VCS_UnitsFormat != VCS_UNITS_MKS) { - throw Cantera::CanteraError("VCS_SPECIES_THERMO::G0_R_calc", - "Possible inconsistency"); + throw CanteraError("VCS_SPECIES_THERMO::G0_R_calc", + "Possible inconsistency"); } size_t kspec = IndexSpeciesPhase; OwningPhase->setState_T(TKelvin); diff --git a/src/equil/vcs_util.cpp b/src/equil/vcs_util.cpp index 3cd3e487d..5ceb786a2 100644 --- a/src/equil/vcs_util.cpp +++ b/src/equil/vcs_util.cpp @@ -16,9 +16,8 @@ #include using namespace std; -using namespace Cantera; -namespace VCSnonideal +namespace Cantera { double vcs_l2norm(const std::vector vec) @@ -78,16 +77,16 @@ double vcsUtil_gasConstant(int mu_units) { switch (mu_units) { case VCS_UNITS_KCALMOL: - return Cantera::GasConst_cal_mol_K * 1e-3; + return GasConst_cal_mol_K * 1e-3; case VCS_UNITS_UNITLESS: return 1.0; case VCS_UNITS_KJMOL: - return Cantera::GasConstant * 1e-6; + return GasConstant * 1e-6; case VCS_UNITS_KELVIN: return 1.0; case VCS_UNITS_MKS: /* joules / kg-mol K = kg m2 / s2 kg-mol K */ - return Cantera::GasConstant; + return GasConstant; default: throw CanteraError("vcsUtil_gasConstant", "uknown units: " + int2str(mu_units)); diff --git a/test_problems/VCSnonideal/LatticeSolid_LiSi/latsol.cpp b/test_problems/VCSnonideal/LatticeSolid_LiSi/latsol.cpp index 0c34d6c23..94796c30e 100644 --- a/test_problems/VCSnonideal/LatticeSolid_LiSi/latsol.cpp +++ b/test_problems/VCSnonideal/LatticeSolid_LiSi/latsol.cpp @@ -14,7 +14,7 @@ void testProblem() { suppress_deprecation_warnings(); double T = 273.15 + 352.0; - VCSnonideal::vcs_timing_print_lvl = 0; + vcs_timing_print_lvl = 0; // Create the phases std::auto_ptr LiSi_solid(newPhase("Li7Si3_ls.xml", @@ -49,7 +49,7 @@ void testProblem() printf("um_li_chempot = %g\n", um_li_chempot); LiFixed.setChemicalPotential(um_li_chempot); - Cantera::MultiPhase mmm; + MultiPhase mmm; mmm.addPhase(&salt, 10.); mmm.addPhase(LiSi_solid.get(), 1.); @@ -61,7 +61,7 @@ void testProblem() mmm.equilibrate("TP", "vcs", 1e-9, 50000, 100, estimateEquil, printLvl); std::cout << mmm << std::endl; - Cantera::appdelete(); + appdelete(); } int main(int argc, char** argv) diff --git a/test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp b/test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp index e755131c5..dc248a8a2 100644 --- a/test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp +++ b/test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp @@ -34,7 +34,7 @@ int main(int argc, char** argv) int numFail = 0; int printLvl = 1; string inputFile = "HMW_NaCl.xml"; - VCSnonideal::vcs_timing_print_lvl = 0; + vcs_timing_print_lvl = 0; /* * Process the command line arguments