Added Cython declarations for methods of the C++ Kinetics class
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Ray Speth
parent
c5f649b036
commit
2b3f54080f
2 changed files with 90 additions and 30 deletions
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@ -115,35 +115,6 @@ cdef extern from "cantera/thermo/ThermoPhase.h" namespace "Cantera":
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void setState_Psat(double P, double x) except +
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cdef extern from "wrappers.h":
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# ThermoPhase composition
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cdef void thermo_getMassFractions(CxxThermoPhase*, double*) except +
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cdef void thermo_setMassFractions(CxxThermoPhase*, double*) except +
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cdef void thermo_getMoleFractions(CxxThermoPhase*, double*) except +
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cdef void thermo_setMoleFractions(CxxThermoPhase*, double*) except +
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cdef void thermo_getConcentrations(CxxThermoPhase*, double*) except +
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cdef void thermo_setConcentrations(CxxThermoPhase*, double*) except +
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# ThermoPhase partial molar properties
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cdef void thermo_getChemPotentials(CxxThermoPhase*, double*) except +
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cdef void thermo_getElectrochemPotentials(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarEnthalpies(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarEntropies(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarIntEnergies(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarCp(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarVolumes(CxxThermoPhase*, double*) except +
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# ThermoPhase partial non-dimensional properties
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void thermo_getEnthalpy_RT(CxxThermoPhase*, double*) except +
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void thermo_getEntropy_R(CxxThermoPhase*, double*) except +
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void thermo_getIntEnergy_RT(CxxThermoPhase*, double*) except +
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void thermo_getGibbs_RT(CxxThermoPhase*, double*) except +
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void thermo_getCp_R(CxxThermoPhase*, double*) except +
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# other ThermoPhase methods
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cdef void thermo_getMolecularWeights(CxxThermoPhase*, double*) except +
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cdef extern from "cantera/thermo/IdealGasPhase.h":
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cdef cppclass CxxIdealGasPhase "Cantera::IdealGasPhase"
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@ -160,10 +131,27 @@ cdef extern from "cantera/kinetics/Kinetics.h" namespace "Cantera":
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cdef cppclass CxxKinetics "Cantera::Kinetics":
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CxxKinetics()
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int type()
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int nTotalSpecies()
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int nReactions()
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int nPhases()
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int reactionPhaseIndex()
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int kineticsSpeciesIndex(int, int)
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CxxThermoPhase& thermo(int)
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cbool isReversible(int) except +
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int reactionType(int) except +
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string reactionString(int) except +
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double reactantStoichCoeff(int, int) except +
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double productStoichCoeff(int, int) except +
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double multiplier(int)
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void setMultiplier(int, double)
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cdef extern from "cantera/kinetics/InterfaceKinetics.h":
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cdef cppclass CxxInterfaceKinetics "Cantera::InterfaceKinetics"
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cdef cppclass CxxInterfaceKinetics "Cantera::InterfaceKinetics":
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void advanceCoverages(double) except +
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cdef extern from "cantera/transport/TransportBase.h" namespace "Cantera":
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cdef cppclass CxxTransport "Cantera::Transport":
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@ -277,6 +265,57 @@ cdef extern from "cantera/oneD/Sim1D.h":
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cdef cppclass CxxSim1D "Cantera::Sim1D":
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CxxSim1D(vector[CxxDomain1D*]&)
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cdef extern from "wrappers.h":
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# ThermoPhase composition
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cdef void thermo_getMassFractions(CxxThermoPhase*, double*) except +
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cdef void thermo_setMassFractions(CxxThermoPhase*, double*) except +
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cdef void thermo_getMoleFractions(CxxThermoPhase*, double*) except +
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cdef void thermo_setMoleFractions(CxxThermoPhase*, double*) except +
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cdef void thermo_getConcentrations(CxxThermoPhase*, double*) except +
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cdef void thermo_setConcentrations(CxxThermoPhase*, double*) except +
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# ThermoPhase partial molar properties
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cdef void thermo_getChemPotentials(CxxThermoPhase*, double*) except +
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cdef void thermo_getElectrochemPotentials(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarEnthalpies(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarEntropies(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarIntEnergies(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarCp(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarVolumes(CxxThermoPhase*, double*) except +
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# ThermoPhase partial non-dimensional properties
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void thermo_getEnthalpy_RT(CxxThermoPhase*, double*) except +
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void thermo_getEntropy_R(CxxThermoPhase*, double*) except +
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void thermo_getIntEnergy_RT(CxxThermoPhase*, double*) except +
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void thermo_getGibbs_RT(CxxThermoPhase*, double*) except +
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void thermo_getCp_R(CxxThermoPhase*, double*) except +
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# other ThermoPhase methods
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cdef void thermo_getMolecularWeights(CxxThermoPhase*, double*) except +
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# Kinetics per-reaction properties
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cdef void kin_getFwdRatesOfProgress(CxxKinetics*, double*) except +
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cdef void kin_getRevRatesOfProgress(CxxKinetics*, double*) except +
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cdef void kin_getNetRatesOfProgress(CxxKinetics*, double*) except +
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cdef void kin_getEquilibriumConstants(CxxKinetics*, double*) except +
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cdef void kin_getActivationEnergies(CxxKinetics*, double*) except +
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cdef void kin_getFwdRateConstants(CxxKinetics*, double*) except +
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cdef void kin_getRevRateConstants(CxxKinetics*, double*) except +
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cdef void kin_getDeltaEnthalpy(CxxKinetics*, double*) except +
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cdef void kin_getDeltaGibbs(CxxKinetics*, double*) except +
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cdef void kin_getDeltaEntropy(CxxKinetics*, double*) except +
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cdef void kin_getDeltaSSEnthalpy(CxxKinetics*, double*) except +
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cdef void kin_getDeltaSSGibbs(CxxKinetics*, double*) except +
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cdef void kin_getDeltaSSEntropy(CxxKinetics*, double*) except +
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# Kinetics per-species properties
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cdef void kin_getCreationRates(CxxKinetics*, double*) except +
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cdef void kin_getDestructionRates(CxxKinetics*, double*) except +
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cdef void kin_getNetProductionRates(CxxKinetics*, double*) except +
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cdef string stringify(x)
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cdef class _SolutionBase:
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@ -5,6 +5,7 @@
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{ object->FUNC_NAME(data); }
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#define THERMO_1D(FUNC_NAME) ARRAY_FUNC(thermo, ThermoPhase, FUNC_NAME)
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#define KIN_1D(FUNC_NAME) ARRAY_FUNC(kin, Kinetics, FUNC_NAME)
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THERMO_1D(getMassFractions)
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THERMO_1D(setMassFractions)
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@ -26,3 +27,23 @@ THERMO_1D(getEntropy_R)
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THERMO_1D(getIntEnergy_RT)
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THERMO_1D(getGibbs_RT)
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THERMO_1D(getCp_R)
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KIN_1D(getFwdRatesOfProgress)
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KIN_1D(getRevRatesOfProgress)
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KIN_1D(getNetRatesOfProgress)
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KIN_1D(getEquilibriumConstants)
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KIN_1D(getActivationEnergies)
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KIN_1D(getFwdRateConstants)
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KIN_1D(getRevRateConstants)
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KIN_1D(getDeltaEnthalpy)
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KIN_1D(getDeltaGibbs)
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KIN_1D(getDeltaEntropy)
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KIN_1D(getDeltaSSEnthalpy)
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KIN_1D(getDeltaSSGibbs)
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KIN_1D(getDeltaSSEntropy)
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KIN_1D(getCreationRates)
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KIN_1D(getDestructionRates)
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KIN_1D(getNetProductionRates)
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