From 5720d7cf908c7c2be08e17f493ec2925f75b0d33 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Fri, 6 Sep 2013 22:52:59 +0000 Subject: [PATCH] Fixed an error where the users data was changed before it was used. Eliminated some deprecations which were not sanctioned. Worked on Cantera.mak. There is a problem with scons eliminating $ from strings. --- include/cantera/thermo/AdsorbateThermo.h | 4 -- include/cantera/thermo/ConstDensityThermo.h | 4 -- include/cantera/thermo/DebyeHuckel.h | 3 -- include/cantera/thermo/Elements.h | 2 - include/cantera/thermo/FixedChemPotSSTP.h | 3 -- include/cantera/thermo/GeneralSpeciesThermo.h | 1 - include/cantera/thermo/GibbsExcessVPSSTP.h | 6 +-- include/cantera/thermo/HMWSoln.h | 4 -- include/cantera/thermo/IdealMolalSoln.h | 3 -- include/cantera/thermo/IdealSolidSolnPhase.h | 1 - include/cantera/thermo/IdealSolnGasVPSS.h | 1 - include/cantera/thermo/LatticePhase.h | 2 - include/cantera/thermo/MargulesVPSSTP.h | 1 - include/cantera/thermo/MetalSHEelectrons.h | 3 -- include/cantera/thermo/MineralEQ3.h | 3 -- .../cantera/thermo/MixedSolventElectrolyte.h | 1 - include/cantera/thermo/MolalityVPSSTP.h | 1 - include/cantera/thermo/Mu0Poly.h | 1 - include/cantera/thermo/Nasa9Poly1.h | 2 - include/cantera/thermo/NasaPoly1.h | 4 -- include/cantera/thermo/PDSS.h | 1 - include/cantera/thermo/PDSS_HKFT.h | 3 -- .../cantera/thermo/PhaseCombo_Interaction.h | 1 - include/cantera/thermo/RedlichKisterVPSSTP.h | 1 - include/cantera/thermo/RedlichKwongMFTP.h | 2 - include/cantera/thermo/SimpleThermo.h | 1 - include/cantera/thermo/SingleSpeciesTP.h | 4 -- include/cantera/thermo/SpeciesThermo.h | 1 - .../cantera/thermo/SpeciesThermoInterpType.h | 2 - include/cantera/thermo/SpeciesThermoMgr.h | 1 - include/cantera/thermo/StoichSubstance.h | 3 -- include/cantera/thermo/StoichSubstanceSSTP.h | 4 -- include/cantera/thermo/SurfPhase.h | 1 - include/cantera/thermo/ThermoPhase.h | 5 --- include/cantera/thermo/VPSSMgr.h | 2 - platform/posix/Cantera.mak.in | 6 ++- platform/posix/SConscript | 8 ++-- site_scons/site_tools/subst.py | 18 +++++++- src/equil/vcs_phaseStability.cpp | 44 ++++++++++++++----- src/kinetics/AqueousKinetics.cpp | 2 - src/thermo/DebyeHuckel.cpp | 2 - src/thermo/FixedChemPotSSTP.cpp | 2 - src/thermo/GeneralSpeciesThermo.cpp | 1 - src/thermo/HMWSoln.cpp | 2 - src/thermo/IdealMolalSoln.cpp | 2 - src/thermo/LatticePhase.cpp | 2 - src/thermo/MetalSHEelectrons.cpp | 2 - src/thermo/MineralEQ3.cpp | 2 - src/thermo/Mu0Poly.cpp | 1 - src/thermo/Nasa9Poly1.cpp | 2 - src/thermo/Nasa9PolyMultiTempRegion.cpp | 2 - src/thermo/Nasa9PolyMultiTempRegion.h | 2 - src/thermo/NasaPoly2.h | 2 - src/thermo/NasaThermo.cpp | 13 +++--- src/thermo/NasaThermo.h | 1 - src/thermo/PDSS_HKFT.cpp | 1 - src/thermo/ShomatePoly.h | 6 --- src/thermo/ShomateThermo.h | 2 - src/thermo/SpeciesThermoInterpType.cpp | 1 - src/thermo/StatMech.cpp | 1 - src/thermo/StoichSubstance.cpp | 2 - src/thermo/StoichSubstanceSSTP.cpp | 3 -- src/thermo/SurfPhase.cpp | 1 - 63 files changed, 67 insertions(+), 148 deletions(-) diff --git a/include/cantera/thermo/AdsorbateThermo.h b/include/cantera/thermo/AdsorbateThermo.h index 1589dca39f..d8c22dddcd 100644 --- a/include/cantera/thermo/AdsorbateThermo.h +++ b/include/cantera/thermo/AdsorbateThermo.h @@ -67,11 +67,9 @@ class Adsorbate : public SpeciesThermoInterpType return (SpeciesThermoInterpType*) np; } - //! @deprecated Not a member of the base class virtual void install(const std::string& name, size_t index, int type, const doublereal* c, doublereal minTemp_, doublereal maxTemp_, doublereal refPressure_) { - warn_deprecated("Adsorbate::install", "Not a member of the base class."); m_be = c[1]; m_nFreqs = int(c[0]); for (size_t n = 0; n < m_nFreqs; n++) { @@ -98,12 +96,10 @@ class Adsorbate : public SpeciesThermoInterpType s_R[m_index] = h_RT[m_index] - _free_energy_RT(temp); } - //! @deprecated void reportParameters(size_t& n, int& type, doublereal& tlow, doublereal& thigh, doublereal& pref, doublereal* const coeffs) const { - warn_deprecated("AdsorbateThermo::reportParameters"); n = m_index; type = ADSORBATE; tlow = m_lowT; diff --git a/include/cantera/thermo/ConstDensityThermo.h b/include/cantera/thermo/ConstDensityThermo.h index 52b5a8b6ee..b6971c60d4 100644 --- a/include/cantera/thermo/ConstDensityThermo.h +++ b/include/cantera/thermo/ConstDensityThermo.h @@ -289,10 +289,8 @@ class ConstDensityThermo : public ThermoPhase * * @param n number of parameters * @param c array of \a n coefficients - * @deprecated Use setDensity() */ virtual void setParameters(int n, doublereal* const c) { - warn_deprecated("ConstDensityThermo::setParamters"); setDensity(c[0]); } @@ -303,10 +301,8 @@ class ConstDensityThermo : public ThermoPhase * * @param n number of parameters * @param c array of \a n coefficients - * @deprecated Use density() */ virtual void getParameters(int& n, doublereal* const c) const { - warn_deprecated("ConstDensityThermo::getParameters"); double d = density(); c[0] = d; n = 1; diff --git a/include/cantera/thermo/DebyeHuckel.h b/include/cantera/thermo/DebyeHuckel.h index 358bd30c75..8686730c2c 100644 --- a/include/cantera/thermo/DebyeHuckel.h +++ b/include/cantera/thermo/DebyeHuckel.h @@ -904,7 +904,6 @@ class DebyeHuckel : public MolalityVPSSTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(double* uA, int k = 0, int sizeUA = 6) const; @@ -1074,7 +1073,6 @@ class DebyeHuckel : public MolalityVPSSTP * * @param n number of parameters * @param c array of \a n coefficients - * @deprecated Unimplemented */ virtual void setParameters(int n, doublereal* const c); @@ -1085,7 +1083,6 @@ class DebyeHuckel : public MolalityVPSSTP * * @param n number of parameters * @param c array of \a n coefficients - * @deprecated Unimplemented */ virtual void getParameters(int& n, doublereal* const c) const; diff --git a/include/cantera/thermo/Elements.h b/include/cantera/thermo/Elements.h index 8591867de1..f57b275c2d 100644 --- a/include/cantera/thermo/Elements.h +++ b/include/cantera/thermo/Elements.h @@ -110,8 +110,6 @@ class XML_Node; * in a particular instantiation of the class. * * @ingroup phases - * @deprecated The functionality of this class was merged into class Phase in - * Cantera 2.0. This class will be removed in Cantera 2.2. */ class Elements { diff --git a/include/cantera/thermo/FixedChemPotSSTP.h b/include/cantera/thermo/FixedChemPotSSTP.h index 1e87ce3c8b..b0d2b0792b 100644 --- a/include/cantera/thermo/FixedChemPotSSTP.h +++ b/include/cantera/thermo/FixedChemPotSSTP.h @@ -350,7 +350,6 @@ class FixedChemPotSSTP : public SingleSpeciesTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(doublereal* uA, int k = 0, int sizeUA = 6) const; @@ -543,7 +542,6 @@ class FixedChemPotSSTP : public SingleSpeciesTP * @param n number of parameters = 1 * @param c array of \a n coefficients * c[0] = density of phase [ kg/m3 ] - * @deprecated Use setChemicalPotential() */ virtual void setParameters(int n, doublereal* const c); @@ -557,7 +555,6 @@ class FixedChemPotSSTP : public SingleSpeciesTP * For this phase: * - n = 1 * - c[0] = density of phase [ kg/m3 ] - * @deprecated Use getChemPotentials() */ virtual void getParameters(int& n, doublereal* const c) const; diff --git a/include/cantera/thermo/GeneralSpeciesThermo.h b/include/cantera/thermo/GeneralSpeciesThermo.h index 2cb714bb8e..68c36ab997 100644 --- a/include/cantera/thermo/GeneralSpeciesThermo.h +++ b/include/cantera/thermo/GeneralSpeciesThermo.h @@ -117,7 +117,6 @@ class GeneralSpeciesThermo : public SpeciesThermo virtual doublereal refPressure(size_t k=npos) const; virtual int reportType(size_t index) const; - //! @deprecated virtual void reportParams(size_t index, int& type, doublereal* const c, doublereal& minTemp, diff --git a/include/cantera/thermo/GibbsExcessVPSSTP.h b/include/cantera/thermo/GibbsExcessVPSSTP.h index 80de6d201b..df8c0d7fa3 100644 --- a/include/cantera/thermo/GibbsExcessVPSSTP.h +++ b/include/cantera/thermo/GibbsExcessVPSSTP.h @@ -261,7 +261,6 @@ class GibbsExcessVPSSTP : public VPStandardStateTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(double* uA, int k = 0, int sizeUA = 6) const; @@ -487,7 +486,6 @@ class GibbsExcessVPSSTP : public VPStandardStateTP //! utility routine to check mole fraction sum /*! * @param x vector of mole fractions. - * @deprecated */ double checkMFSum(const doublereal* const x) const; @@ -518,12 +516,12 @@ class GibbsExcessVPSSTP : public VPStandardStateTP //! Storage for the current derivative values of the //! gradients with respect to logarithm of the mole fraction of the - //! log of the activity coefficients of the species @deprecated + //! log of the activity coefficients of the species mutable std::vector dlnActCoeffdlnN_diag_; //! Storage for the current derivative values of the //! gradients with respect to logarithm of the mole fraction of the - //! log of the activity coefficients of the species @deprecated + //! log of the activity coefficients of the species mutable std::vector dlnActCoeffdlnX_diag_; //! Storage for the current derivative values of the gradients with respect to logarithm of the species mole number of the diff --git a/include/cantera/thermo/HMWSoln.h b/include/cantera/thermo/HMWSoln.h index e51635e2a9..d85f428808 100644 --- a/include/cantera/thermo/HMWSoln.h +++ b/include/cantera/thermo/HMWSoln.h @@ -1302,7 +1302,6 @@ class HMWSoln : public MolalityVPSSTP * * @param testProb Hard -coded test problem to instantiate. * Current valid values are 1. - * @deprecated To be refactored into a standalone test */ HMWSoln(int testProb); @@ -1740,7 +1739,6 @@ class HMWSoln : public MolalityVPSSTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(double* uA, int k = 0, int sizeUA = 6) const; @@ -1904,7 +1902,6 @@ class HMWSoln : public MolalityVPSSTP * * @param n number of parameters * @param c array of \a n coefficients - * @deprecated Unimplemented */ virtual void setParameters(int n, doublereal* const c); @@ -1915,7 +1912,6 @@ class HMWSoln : public MolalityVPSSTP * * @param n number of parameters * @param c array of \a n coefficients - * @deprecated Unimplemented */ virtual void getParameters(int& n, doublereal* const c) const; diff --git a/include/cantera/thermo/IdealMolalSoln.h b/include/cantera/thermo/IdealMolalSoln.h index f04ad7f1e3..1e1810aef2 100644 --- a/include/cantera/thermo/IdealMolalSoln.h +++ b/include/cantera/thermo/IdealMolalSoln.h @@ -436,7 +436,6 @@ class IdealMolalSoln : public MolalityVPSSTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(double* uA, int k = 0, int sizeUA = 6) const; @@ -609,7 +608,6 @@ class IdealMolalSoln : public MolalityVPSSTP * these depends on the subclass. * @param n number of parameters * @param c array of n coefficients - * @deprecated Unimplemented */ virtual void setParameters(int n, doublereal* const c); @@ -619,7 +617,6 @@ class IdealMolalSoln : public MolalityVPSSTP * * @param n number of parameters (output) * @param c array of n coefficients - * * @deprecated Unimplemented */ virtual void getParameters(int& n, doublereal* const c) const; diff --git a/include/cantera/thermo/IdealSolidSolnPhase.h b/include/cantera/thermo/IdealSolidSolnPhase.h index a8aeee7061..b9487dc921 100644 --- a/include/cantera/thermo/IdealSolidSolnPhase.h +++ b/include/cantera/thermo/IdealSolidSolnPhase.h @@ -460,7 +460,6 @@ class IdealSolidSolnPhase : public ThermoPhase * kmol/m3 holds for standard concentration units. For * cIdealSolidSolnPhase0 type, the standard concentration is * unitless. - * @deprecated */ virtual void getUnitsStandardConc(double* uA, int k = 0, int sizeUA = 6) const; diff --git a/include/cantera/thermo/IdealSolnGasVPSS.h b/include/cantera/thermo/IdealSolnGasVPSS.h index e9d19fd856..deb8f3ee77 100644 --- a/include/cantera/thermo/IdealSolnGasVPSS.h +++ b/include/cantera/thermo/IdealSolnGasVPSS.h @@ -208,7 +208,6 @@ class IdealSolnGasVPSS : public VPStandardStateTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(double* uA, int k = 0, int sizeUA = 6) const; diff --git a/include/cantera/thermo/LatticePhase.h b/include/cantera/thermo/LatticePhase.h index 706bb89a8c..56e6744aad 100644 --- a/include/cantera/thermo/LatticePhase.h +++ b/include/cantera/thermo/LatticePhase.h @@ -853,7 +853,6 @@ class LatticePhase : public ThermoPhase * @param n number of parameters. Must be one * @param c array of \a n coefficients * c[0] = The bulk lattice density (kmol m-3) - * @deprecated Use setMolarDensity() */ virtual void setParameters(int n, doublereal* const c); @@ -867,7 +866,6 @@ class LatticePhase : public ThermoPhase * For this phase: * - n = 1 * - c[0] = molar density of phase [ kmol/m^3 ] - * @deprecated Use molarDensity() */ virtual void getParameters(int& n, doublereal* const c) const; diff --git a/include/cantera/thermo/MargulesVPSSTP.h b/include/cantera/thermo/MargulesVPSSTP.h index 3673c156f3..4468919ffd 100644 --- a/include/cantera/thermo/MargulesVPSSTP.h +++ b/include/cantera/thermo/MargulesVPSSTP.h @@ -300,7 +300,6 @@ class MargulesVPSSTP : public GibbsExcessVPSSTP * @param testProb Hard-coded value. Only the value of 1 is used. It's * for a LiKCl system test to predict the eutectic and * liquidus correctly. - * @deprecated To be refactored into a standalone test */ MargulesVPSSTP(int testProb); diff --git a/include/cantera/thermo/MetalSHEelectrons.h b/include/cantera/thermo/MetalSHEelectrons.h index f465c4b767..ced598a565 100644 --- a/include/cantera/thermo/MetalSHEelectrons.h +++ b/include/cantera/thermo/MetalSHEelectrons.h @@ -362,7 +362,6 @@ class MetalSHEelectrons : public SingleSpeciesTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(doublereal* uA, int k = 0, int sizeUA = 6) const; @@ -465,7 +464,6 @@ class MetalSHEelectrons : public SingleSpeciesTP * @param n number of parameters * @param c array of \a n coefficients * c[0] = density of phase [ kg/m3 ] - * @deprecated Use setDensity() */ virtual void setParameters(int n, doublereal* const c); @@ -479,7 +477,6 @@ class MetalSHEelectrons : public SingleSpeciesTP * For this phase: * - n = 1 * - c[0] = density of phase [ kg/m3 ] - * @deprecated Use density() */ virtual void getParameters(int& n, doublereal* const c) const; diff --git a/include/cantera/thermo/MineralEQ3.h b/include/cantera/thermo/MineralEQ3.h index 34295a0022..ca023f6d43 100644 --- a/include/cantera/thermo/MineralEQ3.h +++ b/include/cantera/thermo/MineralEQ3.h @@ -280,7 +280,6 @@ class MineralEQ3 : public StoichSubstanceSSTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(doublereal* uA, int k = 0, int sizeUA = 6) const; @@ -397,7 +396,6 @@ class MineralEQ3 : public StoichSubstanceSSTP * @param n number of parameters * @param c array of \a n coefficients * c[0] = density of phase [ kg/m3 ] - * @deprecated Use setDensity() */ virtual void setParameters(int n, doublereal* const c); @@ -411,7 +409,6 @@ class MineralEQ3 : public StoichSubstanceSSTP * For this phase: * - n = 1 * - c[0] = density of phase [ kg/m3 ] - * @deprecated use density() */ virtual void getParameters(int& n, doublereal* const c) const; diff --git a/include/cantera/thermo/MixedSolventElectrolyte.h b/include/cantera/thermo/MixedSolventElectrolyte.h index 15e9f4b72a..d8928fd029 100644 --- a/include/cantera/thermo/MixedSolventElectrolyte.h +++ b/include/cantera/thermo/MixedSolventElectrolyte.h @@ -295,7 +295,6 @@ class MixedSolventElectrolyte : public MolarityIonicVPSSTP * @param testProb Hard-coded value. Only the value of 1 is used. It's * for a LiKCl system -> test to predict the eutectic and * liquidus correctly. - * @deprecated To be refactored into a standalone test */ MixedSolventElectrolyte(int testProb); diff --git a/include/cantera/thermo/MolalityVPSSTP.h b/include/cantera/thermo/MolalityVPSSTP.h index e7bab4f06a..501b198c55 100644 --- a/include/cantera/thermo/MolalityVPSSTP.h +++ b/include/cantera/thermo/MolalityVPSSTP.h @@ -460,7 +460,6 @@ class MolalityVPSSTP : public VPStandardStateTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(double* uA, int k = 0, int sizeUA = 6) const; diff --git a/include/cantera/thermo/Mu0Poly.h b/include/cantera/thermo/Mu0Poly.h index d308b6aa98..7f4997ec53 100644 --- a/include/cantera/thermo/Mu0Poly.h +++ b/include/cantera/thermo/Mu0Poly.h @@ -140,7 +140,6 @@ class Mu0Poly: public SpeciesThermoInterpType doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const ; - //! @deprecated virtual void reportParameters(size_t& n, int& type, doublereal& tlow, doublereal& thigh, doublereal& pref, diff --git a/include/cantera/thermo/Nasa9Poly1.h b/include/cantera/thermo/Nasa9Poly1.h index 366f70053a..bc81e0bf7c 100644 --- a/include/cantera/thermo/Nasa9Poly1.h +++ b/include/cantera/thermo/Nasa9Poly1.h @@ -169,7 +169,6 @@ class Nasa9Poly1 : public SpeciesThermoInterpType * coeffs[1] is min temperature * coeffs[2] is max temperature * coeffs[3+i] from i =0,9 are the coefficients themselves - * @deprecated */ virtual void reportParameters(size_t& n, int& type, doublereal& tlow, doublereal& thigh, @@ -180,7 +179,6 @@ class Nasa9Poly1 : public SpeciesThermoInterpType /*! * @param coeffs Vector of coefficients used to set the * parameters for the standard state. - * @deprecated */ virtual void modifyParameters(doublereal* coeffs); diff --git a/include/cantera/thermo/NasaPoly1.h b/include/cantera/thermo/NasaPoly1.h index bd36679d25..9632dac10c 100644 --- a/include/cantera/thermo/NasaPoly1.h +++ b/include/cantera/thermo/NasaPoly1.h @@ -162,12 +162,10 @@ class NasaPoly1 : public SpeciesThermoInterpType updateProperties(tPoly, cp_R, h_RT, s_R); } - //! @deprecated virtual void reportParameters(size_t& n, int& type, doublereal& tlow, doublereal& thigh, doublereal& pref, doublereal* const coeffs) const { - warn_deprecated("NasaPoly1::reportParameters"); n = m_index; type = NASA1; tlow = m_lowT; @@ -184,10 +182,8 @@ class NasaPoly1 : public SpeciesThermoInterpType /*! * @param coeffs Vector of coefficients used to set the * parameters for the standard state. - * @deprecated */ virtual void modifyParameters(doublereal* coeffs) { - warn_deprecated("NasaPoly1::modifyParameters"); m_coeff[0] = coeffs[5]; m_coeff[1] = coeffs[6]; for (int i = 0; i < 5; i++) { diff --git a/include/cantera/thermo/PDSS.h b/include/cantera/thermo/PDSS.h index 4e8c402a5d..51ce6ebb71 100644 --- a/include/cantera/thermo/PDSS.h +++ b/include/cantera/thermo/PDSS.h @@ -532,7 +532,6 @@ class PDSS * @param minTemp output - Minimum temperature * @param maxTemp output - Maximum temperature * @param refPressure output - reference pressure (Pa). - * @deprecated */ virtual void reportParams(size_t& kindex, int& type, doublereal* const c, doublereal& minTemp, doublereal& maxTemp, diff --git a/include/cantera/thermo/PDSS_HKFT.h b/include/cantera/thermo/PDSS_HKFT.h index b0a13b1718..df1fcfa781 100644 --- a/include/cantera/thermo/PDSS_HKFT.h +++ b/include/cantera/thermo/PDSS_HKFT.h @@ -109,7 +109,6 @@ class PDSS_HKFT : public PDSS * Note this is just an extra routine to check the arithmetic * * @return returns the species standard state enthalpy in J kmol-1 - * @deprecated */ doublereal enthalpy_mole2() const; #endif @@ -229,7 +228,6 @@ class PDSS_HKFT : public PDSS * @param minTemp output - Minimum temperature * @param maxTemp output - Maximum temperature * @param refPressure output - reference pressure (Pa). - * @deprecated */ virtual void reportParams(size_t& kindex, int& type, doublereal* const c, doublereal& minTemp, doublereal& maxTemp, @@ -258,7 +256,6 @@ class PDSS_HKFT : public PDSS //! between the reference state at Tr, Pr and T,P /*! * This is an extra routine that was added to check the arithmetic - * @deprecated */ doublereal deltaH() const; #endif diff --git a/include/cantera/thermo/PhaseCombo_Interaction.h b/include/cantera/thermo/PhaseCombo_Interaction.h index 5b66965667..15afa20446 100644 --- a/include/cantera/thermo/PhaseCombo_Interaction.h +++ b/include/cantera/thermo/PhaseCombo_Interaction.h @@ -368,7 +368,6 @@ class PhaseCombo_Interaction : public GibbsExcessVPSSTP * @param testProb Hard-coded value. Only the value of 1 is used. It's * for a LiKCl system -> test to predict the eutectic and * liquidus correctly. - * @deprecated unimplemented */ PhaseCombo_Interaction(int testProb); diff --git a/include/cantera/thermo/RedlichKisterVPSSTP.h b/include/cantera/thermo/RedlichKisterVPSSTP.h index 1cbfc0dc40..84b77d43b9 100644 --- a/include/cantera/thermo/RedlichKisterVPSSTP.h +++ b/include/cantera/thermo/RedlichKisterVPSSTP.h @@ -292,7 +292,6 @@ class RedlichKisterVPSSTP : public GibbsExcessVPSSTP * @param testProb Hard-coded value. Only the value of 1 is used. It's * for a LiKCl system -> test to predict the eutectic and * liquidus correctly. - * @deprecated To be refactored into a standalone test */ RedlichKisterVPSSTP(int testProb); diff --git a/include/cantera/thermo/RedlichKwongMFTP.h b/include/cantera/thermo/RedlichKwongMFTP.h index 11f4f8ba34..062ba56212 100644 --- a/include/cantera/thermo/RedlichKwongMFTP.h +++ b/include/cantera/thermo/RedlichKwongMFTP.h @@ -65,7 +65,6 @@ class RedlichKwongMFTP : public MixtureFugacityTP * * @param testProb Hard -coded test problem to instantiate. * Current valid values are 1. - * @deprecated To be refactored into a standalone test */ RedlichKwongMFTP(int testProb); @@ -305,7 +304,6 @@ class RedlichKwongMFTP : public MixtureFugacityTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(double* uA, int k = 0, int sizeUA = 6) const; diff --git a/include/cantera/thermo/SimpleThermo.h b/include/cantera/thermo/SimpleThermo.h index 56328a6ab2..21431a0d25 100644 --- a/include/cantera/thermo/SimpleThermo.h +++ b/include/cantera/thermo/SimpleThermo.h @@ -244,7 +244,6 @@ class SimpleThermo : public SpeciesThermo * @param minTemp_ output - Minimum temperature * @param maxTemp_ output - Maximum temperature * @param refPressure_ output - reference pressure (Pa). - * @deprecated */ virtual void reportParams(size_t index, int& type, doublereal* const c, diff --git a/include/cantera/thermo/SingleSpeciesTP.h b/include/cantera/thermo/SingleSpeciesTP.h index 19a38613a0..5311bfaf89 100644 --- a/include/cantera/thermo/SingleSpeciesTP.h +++ b/include/cantera/thermo/SingleSpeciesTP.h @@ -567,15 +567,11 @@ class SingleSpeciesTP : public ThermoPhase * these depends on the subclass. * @param n number of parameters * @param c array of n coefficients - * @deprecated Unimplemented */ virtual void setParameters(int n, doublereal* const c) { - warn_deprecated("SingleSpeciesTP::setParameters"); } - //! @deprecated Unimplemented virtual void getParameters(int& n, doublereal* const c) const { - warn_deprecated("SingleSpeciesTP::getParameters"); } /** diff --git a/include/cantera/thermo/SpeciesThermo.h b/include/cantera/thermo/SpeciesThermo.h index faa21566fd..10f8f7fb7e 100644 --- a/include/cantera/thermo/SpeciesThermo.h +++ b/include/cantera/thermo/SpeciesThermo.h @@ -302,7 +302,6 @@ class SpeciesThermo * @param minTemp output - Minimum temperature * @param maxTemp output - Maximum temperature * @param refPressure output - reference pressure (Pa). - * @deprecated */ virtual void reportParams(size_t index, int& type, doublereal* const c, diff --git a/include/cantera/thermo/SpeciesThermoInterpType.h b/include/cantera/thermo/SpeciesThermoInterpType.h index 2ab0af0744..707b5b99dd 100644 --- a/include/cantera/thermo/SpeciesThermoInterpType.h +++ b/include/cantera/thermo/SpeciesThermoInterpType.h @@ -253,7 +253,6 @@ class SpeciesThermoInterpType * @param refPressure output - reference pressure (Pa). * @param coeffs Vector of coefficients used to set the * parameters for the standard state. - * @deprecated */ virtual void reportParameters(size_t& index, int& type, doublereal& minTemp, doublereal& maxTemp, @@ -264,7 +263,6 @@ class SpeciesThermoInterpType /*! * @param coeffs Vector of coefficients used to set the * parameters for the standard state. - * @deprecated */ virtual void modifyParameters(doublereal* coeffs) {} diff --git a/include/cantera/thermo/SpeciesThermoMgr.h b/include/cantera/thermo/SpeciesThermoMgr.h index 3733de5376..e9aa42580a 100644 --- a/include/cantera/thermo/SpeciesThermoMgr.h +++ b/include/cantera/thermo/SpeciesThermoMgr.h @@ -101,7 +101,6 @@ class SpeciesThermoDuo : public SpeciesThermo virtual int reportType(size_t k) const; - //! @deprecated virtual void reportParams(size_t index, int& type, doublereal* const c, doublereal& minTemp, diff --git a/include/cantera/thermo/StoichSubstance.h b/include/cantera/thermo/StoichSubstance.h index f4e6c97ce0..d141ccfa1d 100644 --- a/include/cantera/thermo/StoichSubstance.h +++ b/include/cantera/thermo/StoichSubstance.h @@ -189,7 +189,6 @@ class StoichSubstance : public ThermoPhase * uA[3] = Pa(pressure) units - default = 0; * uA[4] = Temperature units - default = 0; * uA[5] = time units - default = 0 - * @deprecated */ virtual void getUnitsStandardConc(double* uA, int k = 0, int sizeUA = 6) const; @@ -355,10 +354,8 @@ class StoichSubstance : public ThermoPhase virtual void initThermo(); - //! @deprecated Use setDensity() virtual void setParameters(int n, double* const c); - //! @deprecated Use density() virtual void getParameters(int& n, double* const c) const; virtual void setParametersFromXML(const XML_Node& eosdata); diff --git a/include/cantera/thermo/StoichSubstanceSSTP.h b/include/cantera/thermo/StoichSubstanceSSTP.h index 48056b5ab3..89dfd08061 100644 --- a/include/cantera/thermo/StoichSubstanceSSTP.h +++ b/include/cantera/thermo/StoichSubstanceSSTP.h @@ -342,7 +342,6 @@ class StoichSubstanceSSTP : public SingleSpeciesTP * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(doublereal* uA, int k = 0, int sizeUA = 6) const; @@ -439,7 +438,6 @@ class StoichSubstanceSSTP : public SingleSpeciesTP * @param n number of parameters * @param c array of \a n coefficients * c[0] = density of phase [ kg/m3 ] - * @deprecated Use setDensity() */ virtual void setParameters(int n, doublereal* const c); @@ -453,7 +451,6 @@ class StoichSubstanceSSTP : public SingleSpeciesTP * For this phase: * - n = 1 * - c[0] = density of phase [ kg/m3 ] - * @deprecated Use density() */ virtual void getParameters(int& n, doublereal* const c) const; @@ -532,7 +529,6 @@ class electrodeElectron : public StoichSubstanceSSTP virtual void initThermoXML(XML_Node& phaseNode, const std::string& id); - //! @deprecated Use setDensity() void setParameters(int n, doublereal* const c); }; diff --git a/include/cantera/thermo/SurfPhase.h b/include/cantera/thermo/SurfPhase.h index d6eaca5bc9..04e26c267b 100644 --- a/include/cantera/thermo/SurfPhase.h +++ b/include/cantera/thermo/SurfPhase.h @@ -345,7 +345,6 @@ class SurfPhase : public ThermoPhase * @param n number of parameters. Must be one * @param c array of \a n coefficients * c[0] = The site density (kmol m-2) - * @deprecated use setSiteDensity() */ virtual void setParameters(int n, doublereal* const c); diff --git a/include/cantera/thermo/ThermoPhase.h b/include/cantera/thermo/ThermoPhase.h index ac8cf8d07b..6c7b8ff5fb 100644 --- a/include/cantera/thermo/ThermoPhase.h +++ b/include/cantera/thermo/ThermoPhase.h @@ -525,7 +525,6 @@ class ThermoPhase : public Phase * @param k species index. Defaults to 0. * @param sizeUA output int containing the size of the vector. * Currently, this is equal to 6. - * @deprecated */ virtual void getUnitsStandardConc(double* uA, int k = 0, int sizeUA = 6) const; @@ -1452,10 +1451,8 @@ class ThermoPhase : public Phase * * @param n number of parameters * @param c array of \a n coefficients - * @deprecated Use methods specific to the derived class */ virtual void setParameters(int n, doublereal* const c) { - warn_deprecated("ThermoPhase::setParameters"); } @@ -1466,10 +1463,8 @@ class ThermoPhase : public Phase * * @param n number of parameters * @param c array of \a n coefficients - * @deprecated Use methods specific to the derived class */ virtual void getParameters(int& n, doublereal* const c) const { - warn_deprecated("ThermoPhase::getParameters"); } diff --git a/include/cantera/thermo/VPSSMgr.h b/include/cantera/thermo/VPSSMgr.h index 3b3016590a..5b0d8482a8 100644 --- a/include/cantera/thermo/VPSSMgr.h +++ b/include/cantera/thermo/VPSSMgr.h @@ -365,9 +365,7 @@ class VPSSMgr virtual const vector_fp& getStandardVolumes() const; //! Return a reference to a vector of the species standard molar volumes - //! @deprecated Use getStandardVolumes() const vector_fp& standardVolumes() const { - warn_deprecated("VPSSMgr::standardVolumes"); return m_Vss; } diff --git a/platform/posix/Cantera.mak.in b/platform/posix/Cantera.mak.in index 0eb5618065..6c703b3f3d 100644 --- a/platform/posix/Cantera.mak.in +++ b/platform/posix/Cantera.mak.in @@ -29,7 +29,7 @@ CANTERA_INSTALL_ROOT=@ct_installroot@ CANTERA_CORE_INCLUDES=-I$(CANTERA_INSTALL_ROOT)/include -CANTERA_EXTRA_INCLUDES=@mak_extra_includes@ +CANTERA_EXTRA_INCLUDES=@mak_extra_includes@ # Required Cantera libraries CANTERA_CORE_LIBS=@mak_threadflags@ -L$(CANTERA_INSTALL_ROOT)/lib @mak_corelibs@ @@ -67,9 +67,11 @@ CANTERA_SUNDIALS_LIBS=@mak_sundials_libdir@ @mak_sundials_libs@ CANTERA_have_blas_lapack_dir=@mak_have_blas_lapack_dir@ ifeq ($(CANTERA_have_blas_lapack_dir), 1) -CANTERA_BLAS_LAPACK_LIBS=-L@blas_lapack_dir@ @mak_blas_lapack_libs@ +CANTERA_BLAS_LAPACK_LIBS=@blas_lapack_dir@ @mak_blas_lapack_libs@ +CANTERA_BLAS_LAPACK_LIBS_DEP= @mak_blas_lapack_libs_dep@ else CANTERA_BLAS_LAPACK_LIBS=@mak_blas_lapack_libs@ +CANTERA_BLAS_LAPACK_LIBS_DEP=$(CANTERA_INSTALL_DIR)/lib/libctlapack.a $(CANTERA_INSTALL_DIR)/lib/libctblas.a endif ############################################################################### diff --git a/platform/posix/SConscript b/platform/posix/SConscript index bffe283c32..b4947dfcd6 100644 --- a/platform/posix/SConscript +++ b/platform/posix/SConscript @@ -85,10 +85,10 @@ localenv['mak_have_blas_lapack_dir'] = '1' if localenv['blas_lapack_dir'] else ' if localenv['blas_lapack_dir']: localenv['mak_blas_lapack_libs'] = ' '.join('-l%s' % s for s in localenv['blas_lapack_libs']) -elif not env['single_library']: - localenv['mak_blas_lapack_libs'] = ('-L' + '$inst_libdir' + ' -lctlapack -lctblas') else: - localenv['mak_blas_lapack_libs'] = '' + localenv['mak_blas_lapack_libs'] = ('-L' + '$(CANTERA_INSTALL_ROOT)/lib' + ' -lctlapack -lctblas') + localenv['mak_blas_lapack_libs_dep'] = ( '$' + '(CANTERA_INSTALL_ROOT)' + '/lib' + 'ctlapack' + '.a' + ' $(CANTERA_INSTALL_ROOT)/lib/libctblas.a') + print 'blas = ', localenv['mak_blas_lapack_libs_dep'] if 'Accelerate' in localenv['FRAMEWORKS']: localenv['mak_blas_lapack_libs'] += ' -framework Accelerate' @@ -111,7 +111,9 @@ if not localenv['build_with_f2c']: else: localenv['mak_syslibs'] = '' +print 'making Cantera.mak' mak = build(localenv.SubstFile('Cantera.mak', 'Cantera.mak.in')) +print 'posted making Cantera.mak' install('$inst_incdir', mak) # Generate cantera.pc for use with pkg-config diff --git a/site_scons/site_tools/subst.py b/site_scons/site_tools/subst.py index b4ede6a4f0..3a1c4f6fb8 100644 --- a/site_scons/site_tools/subst.py +++ b/site_scons/site_tools/subst.py @@ -20,6 +20,7 @@ # Do the substitution def _subst_file(target, source, env, pattern, replace): # Read file + #print 'CALLING SUBST_FILE' f = open(source, "rU") try: contents = f.read() @@ -32,7 +33,7 @@ def subfn(mo): if not SCons.Util.is_String(value): raise SCons.Errors.UserError("Substitution must be a string.") return value - + #print 'pattern = ' , pattern contents = re.sub(pattern, subfn, contents) # Write file @@ -59,6 +60,7 @@ def subfn(mo): keys.append(key) return '' + re.sub(pattern, subfn, contents) return keys @@ -73,7 +75,17 @@ def _subst_value(env, key): # env.subst already returns a string even if it is stored as a number # such as env['HAVE_XYZ'] = 1 - return env.subst("${%s}" % key) + #print 'key = ', key + #print ' straight env = ', env[key] + #print ' str of the thing = ', str(env[key]) + #print ' subst(${}) of the thing = ', env.subst("${%s}" % key) + #print ' %s of the thing = ', "%s" % str(env[key]) + aa = env[key] + if aa == []: + aa = '' + return aa + #return str(env[key]) + #return env.subst("${%s}" % key) # Builder related functions @@ -84,6 +96,7 @@ def _subst_action(target, source, env): # Substitute in the files pattern = env["SUBST_PATTERN"] replace = env["SUBST_REPLACE"] + #print 'SUBSTITUTE: ', pattern, ' for ', replace for (t, s) in zip(target, source): _subst_file(str(t), str(s), env, pattern, replace) @@ -113,6 +126,7 @@ def _subst_emitter(target, source, env): d = dict() for key in keys: value = _subst_value(env, key) + # print 'key = ', key, ' -> value = ', value if not value is None: d[key] = value diff --git a/src/equil/vcs_phaseStability.cpp b/src/equil/vcs_phaseStability.cpp index 14ff8ca0d3..1889c415ba 100644 --- a/src/equil/vcs_phaseStability.cpp +++ b/src/equil/vcs_phaseStability.cpp @@ -15,7 +15,22 @@ using namespace std; namespace VCSnonideal { - +//==================================================================================================================== +// Utility function that evaluates whether a phase can be popped into existence +/* + * A phase can be popped iff the stoichiometric coefficients for the + * component species, whose concentrations will be lowered during the + * process, are positive by at least a small degree. + * + * If one of the phase species is a zeroed component, then the phase can + * be popped if the component increases in mole number as the phase moles + * are increased. + * + * @param iphasePop id of the phase, which is currently zeroed, + * + * @return Returns true if the phase can come into existence + * and false otherwise. + */ bool VCS_SOLVE::vcs_popPhasePossible(const size_t iphasePop) const { vcs_VolPhase* Vphase = m_VolPhaseList[iphasePop]; @@ -31,7 +46,8 @@ bool VCS_SOLVE::vcs_popPhasePossible(const size_t iphasePop) const /* * Loop through all of the species in the phase. We say the phase * can be popped, if there is one species in the phase that can be - * popped. + * popped. This does not mean that the phase will be popped or that it + * leads to a lower Gibbs free energy. */ for (size_t k = 0; k < Vphase->nSpecies(); k++) { size_t kspec = Vphase->spGlobalIndexVCS(k); @@ -45,13 +61,18 @@ bool VCS_SOLVE::vcs_popPhasePossible(const size_t iphasePop) const size_t irxn = kspec - m_numComponents; if (kspec >= m_numComponents) { bool iPopPossible = true; + /* + * Note one case is if the component is a member of the popping phase. + * This component will be zeroed and the logic here will negate the current + * species from causing a positive if this component is consumed. + */ for (size_t j = 0; j < m_numComponents; ++j) { if (m_elType[j] == VCS_ELEM_TYPE_ABSPOS) { double stoicC = m_stoichCoeffRxnMatrix[irxn][j]; if (stoicC != 0.0) { - double negChangeComp = - stoicC * 1.0; + double negChangeComp = - stoicC; if (negChangeComp > 0.0) { - // TODO: We may have to come up with a tolerance here + // If there is no component to give, then the species can't be created if (m_molNumSpecies_old[j] <= VCS_DELETE_ELEMENTABS_CUTOFF*0.5) { iPopPossible = false; } @@ -59,12 +80,13 @@ bool VCS_SOLVE::vcs_popPhasePossible(const size_t iphasePop) const } } } + // We are here when the species can be popped because all its needed components have positive mole numbers if (iPopPossible) { return true; } } else { /* - * We are here when the species in the phase is a component. Its mole number is zero. + * We are here when the species, k, in the phase is a component. Its mole number is zero. * We loop through the regular reaction looking for a reaction that can pop the * component. */ @@ -74,6 +96,7 @@ bool VCS_SOLVE::vcs_popPhasePossible(const size_t iphasePop) const // First, if the component is a product of the reaction if (m_stoichCoeffRxnMatrix[jrxn][kspec] > 0.0) { foundJrxn = true; + // We can do the reaction if all other reactant components have positive mole fractions for (size_t kcomp = 0; kcomp < m_numComponents; kcomp++) { if (m_stoichCoeffRxnMatrix[jrxn][kcomp] < 0.0) { if (m_molNumSpecies_old[kcomp] <= VCS_DELETE_ELEMENTABS_CUTOFF*0.5) { @@ -94,6 +117,7 @@ bool VCS_SOLVE::vcs_popPhasePossible(const size_t iphasePop) const foundJrxn = false; continue; } + // We can do the backwards reaction if all of the product components species are positive for (size_t kcomp = 0; kcomp < m_numComponents; kcomp++) { if (m_stoichCoeffRxnMatrix[jrxn][kcomp] > 0.0) { if (m_molNumSpecies_old[kcomp] <= VCS_DELETE_ELEMENTABS_CUTOFF*0.5) { @@ -111,7 +135,7 @@ bool VCS_SOLVE::vcs_popPhasePossible(const size_t iphasePop) const } return false; } - +//===================================================================================================== int VCS_SOLVE::vcs_phasePopDeterminePossibleList() { int nfound = 0; @@ -126,7 +150,7 @@ int VCS_SOLVE::vcs_phasePopDeterminePossibleList() * For zeroed components it lists the phases, which are currently zeroed, * which have a species with a positive stoichiometric value wrt the component. * Therefore, we could pop the component species and pop that phase at the same time - * if we considered no other factors than keeping the component mole number positve. + * if we considered no other factors than keeping the component mole number positive. * * It does not count species with positive stoichiometric values if that species * already has a positive mole number. The phase is already popped. @@ -238,7 +262,7 @@ int VCS_SOLVE::vcs_phasePopDeterminePossibleList() return nfound; } - +//======================================================================================================== size_t VCS_SOLVE::vcs_popPhaseID(std::vector & phasePopPhaseIDs) { size_t iphasePop = npos; @@ -565,7 +589,7 @@ int VCS_SOLVE::vcs_popPhaseRxnStepSizes(const size_t iphasePop) return 0; } - + //==================================================================================================================== double VCS_SOLVE::vcs_phaseStabilityTest(const size_t iph) { /* @@ -897,5 +921,5 @@ double VCS_SOLVE::vcs_phaseStabilityTest(const size_t iph) #endif return funcPhaseStability; } - +//==================================================================================================================== } diff --git a/src/kinetics/AqueousKinetics.cpp b/src/kinetics/AqueousKinetics.cpp index cde69ce451..5e5978f2ce 100644 --- a/src/kinetics/AqueousKinetics.cpp +++ b/src/kinetics/AqueousKinetics.cpp @@ -30,8 +30,6 @@ AqueousKinetics::AqueousKinetics(thermo_t* thermo) : m_temp(0.0), m_finalized(false) { - warn_deprecated("AqueousKinetics", - "Unfinished implementation of this class will be removed."); if (thermo != 0) { addPhase(*thermo); } diff --git a/src/thermo/DebyeHuckel.cpp b/src/thermo/DebyeHuckel.cpp index e55db4d9f0..2e27bc339e 100644 --- a/src/thermo/DebyeHuckel.cpp +++ b/src/thermo/DebyeHuckel.cpp @@ -1126,12 +1126,10 @@ initThermoXML(XML_Node& phaseNode, const std::string& id_) void DebyeHuckel::setParameters(int n, doublereal* const c) { - warn_deprecated("DebyeHuckel::setParameters"); } void DebyeHuckel::getParameters(int& n, doublereal* const c) const { - warn_deprecated("DebyeHuckel::getParameters"); } void DebyeHuckel::setParametersFromXML(const XML_Node& eosdata) diff --git a/src/thermo/FixedChemPotSSTP.cpp b/src/thermo/FixedChemPotSSTP.cpp index c10d587239..9f6076f77c 100644 --- a/src/thermo/FixedChemPotSSTP.cpp +++ b/src/thermo/FixedChemPotSSTP.cpp @@ -328,13 +328,11 @@ void FixedChemPotSSTP::initThermoXML(XML_Node& phaseNode, const std::string& id_ void FixedChemPotSSTP::setParameters(int n, doublereal* const c) { - warn_deprecated("FixedChemPotSSTP::setParameters"); chemPot_ = c[0]; } void FixedChemPotSSTP::getParameters(int& n, doublereal* const c) const { - warn_deprecated("FixedChemPotSSTP::getParameters"); n = 1; c[0] = chemPot_; } diff --git a/src/thermo/GeneralSpeciesThermo.cpp b/src/thermo/GeneralSpeciesThermo.cpp index 5b402c1280..632b4d8fb6 100644 --- a/src/thermo/GeneralSpeciesThermo.cpp +++ b/src/thermo/GeneralSpeciesThermo.cpp @@ -246,7 +246,6 @@ void GeneralSpeciesThermo:: reportParams(size_t index, int& type, doublereal* const c, doublereal& minTemp_, doublereal& maxTemp_, doublereal& refPressure_) const { - warn_deprecated("GeneralSpeciesThermo::reportParams"); SpeciesThermoInterpType* sp = m_sp[index]; size_t n; if (sp) { diff --git a/src/thermo/HMWSoln.cpp b/src/thermo/HMWSoln.cpp index 8a123b2ac0..5916a14a22 100644 --- a/src/thermo/HMWSoln.cpp +++ b/src/thermo/HMWSoln.cpp @@ -1008,12 +1008,10 @@ void HMWSoln::getPartialMolarCp(doublereal* cpbar) const void HMWSoln::setParameters(int n, doublereal* const c) { - warn_deprecated("HMWSoln::setParameters"); } void HMWSoln::getParameters(int& n, doublereal* const c) const { - warn_deprecated("HMWSoln::getParameters"); } void HMWSoln::setParametersFromXML(const XML_Node& eosdata) diff --git a/src/thermo/IdealMolalSoln.cpp b/src/thermo/IdealMolalSoln.cpp index 831e576e7d..dfadb865d7 100644 --- a/src/thermo/IdealMolalSoln.cpp +++ b/src/thermo/IdealMolalSoln.cpp @@ -673,12 +673,10 @@ void IdealMolalSoln::initThermoXML(XML_Node& phaseNode, const std::string& id_) void IdealMolalSoln::setParameters(int n, doublereal* const c) { - warn_deprecated("IdealMolalSoln::setParameters"); } void IdealMolalSoln::getParameters(int& n, doublereal* const c) const { - warn_deprecated("IdealMolalSoln::getParameters"); } void IdealMolalSoln::setParametersFromXML(const XML_Node& eosdata) diff --git a/src/thermo/LatticePhase.cpp b/src/thermo/LatticePhase.cpp index 6f9c4315c5..ed8c986e59 100644 --- a/src/thermo/LatticePhase.cpp +++ b/src/thermo/LatticePhase.cpp @@ -402,14 +402,12 @@ void LatticePhase::_updateThermo() const void LatticePhase::setParameters(int n, doublereal* const c) { - warn_deprecated("LatticePhase::setParameters"); m_site_density = c[0]; setMolarDensity(m_site_density); } void LatticePhase::getParameters(int& n, doublereal* const c) const { - warn_deprecated("LatticePhase::getParameters"); double d = molarDensity(); c[0] = d; n = 1; diff --git a/src/thermo/MetalSHEelectrons.cpp b/src/thermo/MetalSHEelectrons.cpp index 23323d1636..3380b4a195 100644 --- a/src/thermo/MetalSHEelectrons.cpp +++ b/src/thermo/MetalSHEelectrons.cpp @@ -303,14 +303,12 @@ XML_Node* MetalSHEelectrons::makeDefaultXMLTree() void MetalSHEelectrons::setParameters(int n, doublereal* const c) { - warn_deprecated("MetalSHEelectrons::setParameters"); doublereal rho = c[0]; setDensity(rho); } void MetalSHEelectrons::getParameters(int& n, doublereal* const c) const { - warn_deprecated("MetalSHEelectrons::getParameters"); doublereal rho = density(); n = 1; c[0] = rho; diff --git a/src/thermo/MineralEQ3.cpp b/src/thermo/MineralEQ3.cpp index 06ad20bd20..c134cdcb46 100644 --- a/src/thermo/MineralEQ3.cpp +++ b/src/thermo/MineralEQ3.cpp @@ -234,14 +234,12 @@ void MineralEQ3::initThermo() void MineralEQ3::setParameters(int n, doublereal* const c) { - warn_deprecated("MineralEQ3::setParameters"); doublereal rho = c[0]; setDensity(rho); } void MineralEQ3::getParameters(int& n, doublereal* const c) const { - warn_deprecated("MineralEQ3::getParameters"); doublereal rho = density(); n = 1; c[0] = rho; diff --git a/src/thermo/Mu0Poly.cpp b/src/thermo/Mu0Poly.cpp index 430f8cd458..1f4e4d4015 100644 --- a/src/thermo/Mu0Poly.cpp +++ b/src/thermo/Mu0Poly.cpp @@ -102,7 +102,6 @@ void Mu0Poly::reportParameters(size_t& n, int& type, doublereal& pref, doublereal* const coeffs) const { - warn_deprecated("Mu0Poly::reportParameters"); n = m_index; type = MU0_INTERP; tlow = m_lowT; diff --git a/src/thermo/Nasa9Poly1.cpp b/src/thermo/Nasa9Poly1.cpp index 44d9e98680..93ce7abba1 100644 --- a/src/thermo/Nasa9Poly1.cpp +++ b/src/thermo/Nasa9Poly1.cpp @@ -110,7 +110,6 @@ void Nasa9Poly1::reportParameters(size_t& n, int& type, doublereal& pref, doublereal* const coeffs) const { - warn_deprecated("Nasa9Poly1::reportParameters"); n = m_index; type = NASA9; tlow = m_lowT; @@ -126,7 +125,6 @@ void Nasa9Poly1::reportParameters(size_t& n, int& type, void Nasa9Poly1::modifyParameters(doublereal* coeffs) { - warn_deprecated("Nasa9Poly1::modifyParameters"); for (int i = 0; i < 9; i++) { m_coeff[i] = coeffs[i]; } diff --git a/src/thermo/Nasa9PolyMultiTempRegion.cpp b/src/thermo/Nasa9PolyMultiTempRegion.cpp index f0b79d33c3..81afbb5d0e 100644 --- a/src/thermo/Nasa9PolyMultiTempRegion.cpp +++ b/src/thermo/Nasa9PolyMultiTempRegion.cpp @@ -170,7 +170,6 @@ void Nasa9PolyMultiTempRegion::reportParameters(size_t& n, int& type, doublereal& pref, doublereal* const coeffs) const { - warn_deprecated("Nasa9PolyMultiTempRegion::reportParameters"); n = m_index; type = NASA9MULTITEMP; tlow = m_lowT; @@ -196,7 +195,6 @@ void Nasa9PolyMultiTempRegion::reportParameters(size_t& n, int& type, void Nasa9PolyMultiTempRegion::modifyParameters(doublereal* coeffs) { - warn_deprecated("Nasa9PolyMultiTempRegion::modifyParameters"); int index = 3; for (size_t iReg = 0; iReg < m_numTempRegions; iReg++) { m_regionPts[iReg]->modifyParameters(coeffs + index); diff --git a/src/thermo/Nasa9PolyMultiTempRegion.h b/src/thermo/Nasa9PolyMultiTempRegion.h index 171999390c..f423a71f57 100644 --- a/src/thermo/Nasa9PolyMultiTempRegion.h +++ b/src/thermo/Nasa9PolyMultiTempRegion.h @@ -175,7 +175,6 @@ class Nasa9PolyMultiTempRegion : public SpeciesThermoInterpType * coeffs[index] = minTempZone * coeffs[index+1] = maxTempZone * coeffs[index+2+i] from i =0,9 are the coefficients themselves - * @deprecated */ virtual void reportParameters(size_t& n, int& type, doublereal& tlow, doublereal& thigh, @@ -186,7 +185,6 @@ class Nasa9PolyMultiTempRegion : public SpeciesThermoInterpType /*! * @param coeffs Vector of coefficients used to set the * parameters for the standard state. - * @deprecated */ virtual void modifyParameters(doublereal* coeffs); diff --git a/src/thermo/NasaPoly2.h b/src/thermo/NasaPoly2.h index 50ddeb9786..6ee448b34b 100644 --- a/src/thermo/NasaPoly2.h +++ b/src/thermo/NasaPoly2.h @@ -151,12 +151,10 @@ class NasaPoly2 : public SpeciesThermoInterpType } } - //! @deprecated void reportParameters(size_t& n, int& type, doublereal& tlow, doublereal& thigh, doublereal& pref, doublereal* const coeffs) const { - warn_deprecated("NasaPoly2::reportParameters"); n = m_index; type = NASA2; tlow = m_lowT; diff --git a/src/thermo/NasaThermo.cpp b/src/thermo/NasaThermo.cpp index 3ef7e1aa78..ca5f228060 100644 --- a/src/thermo/NasaThermo.cpp +++ b/src/thermo/NasaThermo.cpp @@ -82,12 +82,12 @@ void NasaThermo::install(const std::string& name, size_t index, int type, vector_fp chigh(c+8, c+15); vector_fp clow(c+1, c+8); - doublereal maxError = checkContinuity(name, tmid, &clow[0], &chigh[0]); - if (maxError > 1e-6) { - fixDiscontinuities(tlow, tmid, thigh, &clow[0], &chigh[0]); - AssertThrowMsg(checkContinuity(name, tmid, &clow[0], &chigh[0]) < 1e-12, - "NasaThermo::install", "Polynomials still not continuous"); - } + checkContinuity(name, tmid, &clow[0], &chigh[0]); + //if (maxError > 1e-6) { + // fixDiscontinuities(tlow, tmid, thigh, &clow[0], &chigh[0]); + // AssertThrowMsg(checkContinuity(name, tmid, &clow[0], &chigh[0]) < 1e-12, + // "NasaThermo::install", "Polynomials still not continuous"); + //} m_high[igrp-1].push_back(NasaPoly1(index, tmid, thigh, ref_pressure, &chigh[0])); @@ -179,7 +179,6 @@ void NasaThermo::reportParams(size_t index, int& type, doublereal& maxTemp, doublereal& refPressure) const { - warn_deprecated("NasaThermo::reportParams"); type = reportType(index); if (type == NASA) { size_t grp = m_group_map[index]; diff --git a/src/thermo/NasaThermo.h b/src/thermo/NasaThermo.h index 949798c3db..037eb52b1d 100644 --- a/src/thermo/NasaThermo.h +++ b/src/thermo/NasaThermo.h @@ -138,7 +138,6 @@ class NasaThermo : public SpeciesThermo * @param minTemp output - Minimum temperature * @param maxTemp output - Maximum temperature * @param refPressure output - reference pressure (Pa). - * @deprecated */ virtual void reportParams(size_t index, int& type, doublereal* const c, diff --git a/src/thermo/PDSS_HKFT.cpp b/src/thermo/PDSS_HKFT.cpp index 5a1826be31..a9b0c3449e 100644 --- a/src/thermo/PDSS_HKFT.cpp +++ b/src/thermo/PDSS_HKFT.cpp @@ -1167,7 +1167,6 @@ void PDSS_HKFT::reportParams(size_t& kindex, int& type, doublereal& maxTemp_, doublereal& refPressure_) const { - warn_deprecated("PDSS_HKFT::reportParams"); // Fill in the first part PDSS::reportParams(kindex, type, c, minTemp_, maxTemp_, refPressure_); diff --git a/src/thermo/ShomatePoly.h b/src/thermo/ShomatePoly.h index 56e117150a..0fdb257385 100644 --- a/src/thermo/ShomatePoly.h +++ b/src/thermo/ShomatePoly.h @@ -192,12 +192,10 @@ class ShomatePoly : public SpeciesThermoInterpType updateProperties(tPoly, cp_R, h_RT, s_R); } - //! @deprecated virtual void reportParameters(size_t& n, int& type, doublereal& tlow, doublereal& thigh, doublereal& pref, doublereal* const coeffs) const { - warn_deprecated("ShomatePoly::reportParameters"); n = m_index; type = SHOMATE; tlow = m_lowT; @@ -214,7 +212,6 @@ class ShomatePoly : public SpeciesThermoInterpType * parameters for the standard state. */ virtual void modifyParameters(doublereal* coeffs) { - warn_deprecated("ShomatePoly::modifyParameters"); if (m_coeff.size() != 7) { throw CanteraError("modifyParameters", "modifying something that hasn't been initialized"); @@ -440,12 +437,10 @@ class ShomatePoly2 : public SpeciesThermoInterpType } } - //! @deprecated virtual void reportParameters(size_t& n, int& type, doublereal& tlow, doublereal& thigh, doublereal& pref, doublereal* const coeffs) const { - warn_deprecated("ShomatePoly2::reportParameters"); n = m_index; type = SHOMATE2; tlow = m_lowT; @@ -464,7 +459,6 @@ class ShomatePoly2 : public SpeciesThermoInterpType * parameters for the standard state. */ virtual void modifyParameters(doublereal* coeffs) { - warn_deprecated("ShomatePoly2::modifyParameters"); delete msp_low; delete msp_high; std::copy(coeffs, coeffs + 15, m_coeff.begin()); diff --git a/src/thermo/ShomateThermo.h b/src/thermo/ShomateThermo.h index 9f39da5641..53c284a33d 100644 --- a/src/thermo/ShomateThermo.h +++ b/src/thermo/ShomateThermo.h @@ -289,13 +289,11 @@ class ShomateThermo : public SpeciesThermo return SHOMATE; } - //! @deprecated virtual void reportParams(size_t index, int& type, doublereal* const c, doublereal& minTemp, doublereal& maxTemp, doublereal& refPressure) const { - warn_deprecated("ShomateThermo::reportParams"); type = reportType(index); if (type == SHOMATE) { size_t grp = m_group_map[index]; diff --git a/src/thermo/SpeciesThermoInterpType.cpp b/src/thermo/SpeciesThermoInterpType.cpp index b2ad6f4afb..8382c52e8c 100644 --- a/src/thermo/SpeciesThermoInterpType.cpp +++ b/src/thermo/SpeciesThermoInterpType.cpp @@ -159,7 +159,6 @@ void STITbyPDSS::reportParameters(size_t& index, int& type, doublereal& refPressure, doublereal* const coeffs) const { - warn_deprecated("STITbyPDSS::reportParameters"); index = m_index; type = PDSS_TYPE; minTemp = m_vpssmgr_ptr->minTemp(m_index); diff --git a/src/thermo/StatMech.cpp b/src/thermo/StatMech.cpp index b3db7ced5b..94213592e8 100644 --- a/src/thermo/StatMech.cpp +++ b/src/thermo/StatMech.cpp @@ -609,7 +609,6 @@ void StatMech::reportParameters(size_t& n, int& type, doublereal& pref, doublereal* const coeffs) const { - warn_deprecated("StatMech::reportParameters"); species* s; n = m_index; diff --git a/src/thermo/StoichSubstance.cpp b/src/thermo/StoichSubstance.cpp index 7a7b704692..e83f5b366f 100644 --- a/src/thermo/StoichSubstance.cpp +++ b/src/thermo/StoichSubstance.cpp @@ -246,14 +246,12 @@ void StoichSubstance::getCp_R_ref(doublereal* cprt) const void StoichSubstance::setParameters(int n, double* const c) { - warn_deprecated("StoichSubstance::setParameters"); double rho = c[0]; setDensity(rho); } void StoichSubstance::getParameters(int& n, double* const c) const { - warn_deprecated("StoichSubstance::getParameters"); double rho = density(); c[0] = rho; } diff --git a/src/thermo/StoichSubstanceSSTP.cpp b/src/thermo/StoichSubstanceSSTP.cpp index d266e68717..e0c43d6f4b 100644 --- a/src/thermo/StoichSubstanceSSTP.cpp +++ b/src/thermo/StoichSubstanceSSTP.cpp @@ -255,14 +255,12 @@ void StoichSubstanceSSTP::initThermoXML(XML_Node& phaseNode, const std::string& void StoichSubstanceSSTP::setParameters(int n, doublereal* const c) { - warn_deprecated("StoichSubstanceSSTP::setParameters"); doublereal rho = c[0]; setDensity(rho); } void StoichSubstanceSSTP::getParameters(int& n, doublereal* const c) const { - warn_deprecated("StoichSubstanceSSTP::getParameters"); doublereal rho = density(); n = 1; c[0] = rho; @@ -364,7 +362,6 @@ void electrodeElectron::initThermoXML(XML_Node& phaseNode, const std::string& id void electrodeElectron::setParameters(int n, doublereal* const c) { - warn_deprecated("electrodeElectron::setParameters"); doublereal rho = 10.0; setDensity(rho); } diff --git a/src/thermo/SurfPhase.cpp b/src/thermo/SurfPhase.cpp index 34714e7240..d080cd9d9d 100644 --- a/src/thermo/SurfPhase.cpp +++ b/src/thermo/SurfPhase.cpp @@ -185,7 +185,6 @@ doublereal SurfPhase::logStandardConc(size_t k) const void SurfPhase::setParameters(int n, doublereal* const c) { - warn_deprecated("SurfPhase::setParameters"); if (n != 1) { throw CanteraError("SurfPhase::setParameters", "Bad value for number of parameter");