efe43b389e
This allows one to define functions in Python which will be called after each successful time step or steady state solve, from which the state of the solver can be inspected.
1043 lines
36 KiB
Cython
1043 lines
36 KiB
Cython
from libcpp.vector cimport vector
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from libcpp.string cimport string
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from libcpp.map cimport map as stdmap
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from libcpp.pair cimport pair
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from libcpp cimport bool as cbool
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from cpython cimport bool as pybool
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import numpy as np
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cimport numpy as np
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ctypedef stdmap[string,double] Composition
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cdef extern from "<map>" namespace "std":
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cdef cppclass multimap[T, U]:
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cppclass iterator:
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pair[T, U]& operator*() nogil
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iterator operator++() nogil
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iterator operator--() nogil
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bint operator==(iterator) nogil
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bint operator!=(iterator) nogil
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multimap() nogil except +
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U& operator[](T&) nogil
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iterator begin() nogil
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iterator end() nogil
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pair[iterator, bint] insert(pair[T, U]) nogil
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iterator find(T&) nogil
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cdef extern from "cantera/base/xml.h" namespace "Cantera":
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cdef cppclass XML_Node:
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XML_Node* findByName(string)
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XML_Node* findID(string)
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int nChildren()
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cdef extern from "cantera/base/stringUtils.h" namespace "Cantera":
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cdef Composition parseCompString(string) except +
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cdef extern from "cantera/base/global.h" namespace "Cantera":
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cdef void CxxAddDirectory "Cantera::addDirectory" (string)
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cdef size_t CxxNpos "Cantera::npos"
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cdef void CxxAppdelete "Cantera::appdelete" ()
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cdef XML_Node* CxxGetXmlFile "Cantera::get_XML_File" (string) except +
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cdef XML_Node* CxxGetXmlFromString "Cantera::get_XML_from_string" (string) except +
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cdef void Cxx_make_deprecation_warnings_fatal "Cantera::make_deprecation_warnings_fatal" ()
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cdef extern from "cantera/thermo/mix_defs.h":
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cdef int thermo_type_ideal_gas "Cantera::cIdealGas"
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cdef int thermo_type_surf "Cantera::cSurf"
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cdef int thermo_type_edge "Cantera::cEdge"
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cdef int kinetics_type_gas "Cantera::cGasKinetics"
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cdef int kinetics_type_interface "Cantera::cInterfaceKinetics"
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cdef int kinetics_type_edge "Cantera::cEdgeKinetics"
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cdef extern from "cantera/cython/funcWrapper.h":
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ctypedef double (*callback_wrapper)(double, void*, void**)
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cdef int translate_exception()
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cdef cppclass CxxFunc1 "Func1Py":
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CxxFunc1(callback_wrapper, void*)
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double eval(double) except +translate_exception
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cdef extern from "<memory>":
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cppclass shared_ptr "std::shared_ptr" [T]:
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T* get()
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void reset(T*)
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cdef extern from "cantera/base/Array.h" namespace "Cantera":
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cdef cppclass CxxArray2D "Cantera::Array2D":
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CxxArray2D()
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CxxArray2D(size_t, size_t)
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void resize(size_t, size_t)
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double operator()(size_t, size_t)
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cdef extern from "cantera/thermo/SpeciesThermoInterpType.h":
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cdef cppclass CxxSpeciesThermo "Cantera::SpeciesThermoInterpType":
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CxxSpeciesThermo()
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int reportType()
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void updatePropertiesTemp(double, double*, double*, double*) except +
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double minTemp()
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double maxTemp()
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double refPressure()
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void reportParameters(size_t&, int&, double&, double&, double&, double* const) except +
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cdef extern from "cantera/thermo/SpeciesThermoFactory.h":
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cdef CxxSpeciesThermo* CxxNewSpeciesThermo "Cantera::newSpeciesThermoInterpType"\
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(int, double, double, double, double*) except +
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cdef extern from "cantera/thermo/Species.h" namespace "Cantera":
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cdef cppclass CxxTransportData "Cantera::TransportData"
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cdef cppclass CxxSpecies "Cantera::Species":
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CxxSpecies()
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CxxSpecies(string, Composition)
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shared_ptr[CxxSpeciesThermo] thermo
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shared_ptr[CxxTransportData] transport
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string name
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Composition composition
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double charge
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double size
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cdef shared_ptr[CxxSpecies] CxxNewSpecies "newSpecies" (XML_Node&)
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cdef vector[shared_ptr[CxxSpecies]] CxxGetSpecies "getSpecies" (XML_Node&)
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cdef extern from "cantera/thermo/ThermoPhase.h" namespace "Cantera":
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cdef cppclass CxxThermoPhase "Cantera::ThermoPhase":
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CxxThermoPhase()
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# miscellaneous
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int eosType()
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string report(cbool, double) except +
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string name()
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void setName(string)
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string id()
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void setID(string)
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double minTemp() except +
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double maxTemp() except +
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double refPressure() except +
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cbool getElementPotentials(double*) except +
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void equilibrate(string, string, double, int, int, int, int) except +
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# initialization
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void addUndefinedElements() except +
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cbool addSpecies(shared_ptr[CxxSpecies]) except +
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void modifySpecies(size_t, shared_ptr[CxxSpecies]) except +
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void initThermo() except +
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void invalidateCache() except +
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# basic thermodynamic properties
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double temperature() except +
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double pressure() except +
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double density() except +
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double molarDensity() except +
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double molarVolume() except +
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double isothermalCompressibility() except +
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double thermalExpansionCoeff() except +
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double electricPotential() except +
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void setElectricPotential(double) except +
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# element properties
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size_t nElements()
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size_t elementIndex(string) except +
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string elementName(size_t) except +
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double atomicWeight(size_t) except +
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# species properties
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size_t nSpecies()
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shared_ptr[CxxSpecies] species(string) except +
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shared_ptr[CxxSpecies] species(size_t) except +
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size_t speciesIndex(string) except +
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string speciesName(size_t) except +
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double nAtoms(size_t, size_t) except +
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void getAtoms(size_t, double*) except +
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double molecularWeight(size_t) except +
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double meanMolecularWeight()
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# composition
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void setMassFractionsByName(string) except +
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void setMassFractionsByName(Composition&) except +
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void setMassFractions_NoNorm(double*) except +
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Composition getMassFractionsByName(double)
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double massFraction(size_t) except +
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double massFraction(string) except +
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void setMoleFractionsByName(string) except +
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void setMoleFractionsByName(Composition&) except +
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void setMoleFractions_NoNorm(double*) except +
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void getMoleFractions(double*) except +
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Composition getMoleFractionsByName(double)
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double moleFraction(size_t) except +
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double moleFraction(string) except +
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double concentration(size_t) except +
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double elementalMassFraction(size_t) except +
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double elementalMoleFraction(size_t) except +
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# state setters
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void setState_TR(double, double) except +
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void setState_TP(double, double) except +
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void setState_HP(double, double) except +
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void setState_UV(double, double) except +
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void setState_SP(double, double) except +
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void setState_SV(double, double) except +
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void setState_RP(double, double) except +
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void setState_ST(double, double) except +
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void setState_TV(double, double) except +
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void setState_PV(double, double) except +
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void setState_UP(double, double) except +
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void setState_VH(double, double) except +
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void setState_TH(double, double) except +
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void setState_SH(double, double) except +
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# molar thermodynamic properties:
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double enthalpy_mole() except +
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double intEnergy_mole() except +
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double entropy_mole() except +
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double gibbs_mole() except +
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double cp_mole() except +
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double cv_mole() except +
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# specific (mass) properties:
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double enthalpy_mass() except +
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double intEnergy_mass() except +
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double entropy_mass() except +
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double gibbs_mass() except +
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double cp_mass() except +
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double cv_mass() except +
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# PureFluid properties
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double critTemperature() except +
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double critPressure() except +
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double critDensity() except +
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double satTemperature(double P) except +
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double satPressure(double T) except +
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double vaporFraction() except +
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void setState_Tsat(double T, double x) except +
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void setState_Psat(double P, double x) 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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cdef extern from "cantera/thermo/SurfPhase.h":
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cdef cppclass CxxSurfPhase "Cantera::SurfPhase":
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CxxSurfPhase()
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double siteDensity()
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void setSiteDensity(double) except +
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void setCoverages(double*) except +
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void setCoveragesByName(Composition&) except +
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void setCoveragesNoNorm(double*) except +
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void getCoverages(double*) except +
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cdef extern from "cantera/kinetics/Reaction.h" namespace "Cantera":
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cdef shared_ptr[CxxReaction] CxxNewReaction "newReaction" (XML_Node&) except +
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cdef vector[shared_ptr[CxxReaction]] CxxGetReactions "getReactions" (XML_Node&) except +
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cdef cppclass CxxArrhenius "Cantera::Arrhenius":
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CxxArrhenius()
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CxxArrhenius(double, double, double)
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double updateRC(double, double)
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double preExponentialFactor()
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double temperatureExponent()
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double activationEnergy_R()
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cdef cppclass CxxReaction "Cantera::Reaction":
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# Note, this default constructor doesn't actually exist. The declaration
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# is required by a Cython bug which should be resolved in Cython 0.22.
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CxxReaction()
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CxxReaction(int)
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string reactantString()
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string productString()
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string equation()
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void validate() except +
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int reaction_type
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Composition reactants
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Composition products
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Composition orders
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string id
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cbool reversible
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cbool duplicate
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cbool allow_nonreactant_orders
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cbool allow_negative_orders
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cdef cppclass CxxElementaryReaction "Cantera::ElementaryReaction" (CxxReaction):
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CxxElementaryReaction()
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CxxArrhenius rate
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cbool allow_negative_pre_exponential_factor
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cdef cppclass CxxThirdBody "Cantera::ThirdBody":
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CxxThirdBody()
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CxxThirdBody(double)
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double efficiency(string)
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Composition efficiencies
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double default_efficiency
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cdef cppclass CxxThreeBodyReaction "Cantera::ThreeBodyReaction" (CxxElementaryReaction):
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CxxThreeBodyReaction()
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CxxThirdBody third_body
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cdef cppclass CxxFalloff "Cantera::Falloff":
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CxxFalloff()
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void updateTemp(double, double*)
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double F(double, double*)
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size_t workSize()
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size_t nParameters()
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int getType()
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void getParameters(double*)
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cdef cppclass CxxFalloffReaction "Cantera::FalloffReaction" (CxxReaction):
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CxxFalloffReaction()
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CxxArrhenius low_rate
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CxxArrhenius high_rate
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CxxThirdBody third_body
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shared_ptr[CxxFalloff] falloff
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cdef cppclass CxxChemicallyActivatedReaction "Cantera::ChemicallyActivatedReaction" (CxxFalloffReaction):
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CxxChemicallyActivatedReaction()
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cdef cppclass CxxPlog "Cantera::Plog":
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CxxPlog(multimap[double,CxxArrhenius])
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vector[pair[double,CxxArrhenius]] rates()
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void update_C(double*)
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double updateRC(double, double)
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cdef cppclass CxxPlogReaction "Cantera::PlogReaction" (CxxReaction):
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CxxPlog rate
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cdef cppclass CxxChebyshevRate "Cantera::ChebyshevRate":
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CxxChebyshevRate(double, double, double, double, CxxArray2D)
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double Tmin()
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double Tmax()
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double Pmin()
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double Pmax()
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size_t nPressure()
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size_t nTemperature()
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vector[double]& coeffs()
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void update_C(double*)
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double updateRC(double, double)
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cdef cppclass CxxChebyshevReaction "Cantera::ChebyshevReaction" (CxxReaction):
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CxxChebyshevRate rate
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cdef cppclass CxxCoverageDependency "Cantera::CoverageDependency":
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CxxCoverageDependency(double, double, double)
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double a
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double E
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double m
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cdef cppclass CxxInterfaceReaction "Cantera::InterfaceReaction" (CxxElementaryReaction):
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stdmap[string, CxxCoverageDependency] coverage_deps
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cbool is_sticking_coefficient
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string sticking_species
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cdef extern from "cantera/kinetics/FalloffFactory.h" namespace "Cantera":
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cdef shared_ptr[CxxFalloff] CxxNewFalloff "Cantera::newFalloff" (int, vector[double]) except +
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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 phaseIndex(string)
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int kineticsSpeciesIndex(int, int)
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int kineticsSpeciesIndex(string)
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CxxThermoPhase& thermo(int)
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void addPhase(CxxThermoPhase&) except +
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void init() except +
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void skipUndeclaredThirdBodies(cbool)
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void addReaction(shared_ptr[CxxReaction]) except +
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void modifyReaction(int, shared_ptr[CxxReaction]) except +
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void invalidateCache() except +
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shared_ptr[CxxReaction] reaction(size_t) except +
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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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string reactantString(int) except +
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string productString(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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void advanceCoverages(double) except +
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cdef extern from "cantera/transport/TransportFactory.h":
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cdef string transportModelName "Cantera::TransportFactory::modelName" (int)
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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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CxxTransport(CxxThermoPhase*)
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int model()
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double viscosity() except +
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double thermalConductivity() except +
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double electricalConductivity() except +
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cdef extern from "cantera/transport/DustyGasTransport.h" namespace "Cantera":
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cdef cppclass CxxDustyGasTransport "Cantera::DustyGasTransport":
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void setPorosity(double) except +
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void setTortuosity(double) except +
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void setMeanPoreRadius(double) except +
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void setMeanParticleDiameter(double) except +
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void setPermeability(double) except +
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void getMolarFluxes(double*, double*, double, double*) except +
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cdef extern from "cantera/transport/TransportData.h" namespace "Cantera":
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cdef cppclass CxxTransportData "Cantera::TransportData":
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CxxTransportData()
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cdef cppclass CxxGasTransportData "Cantera::GasTransportData" (CxxTransportData):
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CxxGasTransportData()
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CxxGasTransportData(string, double, double, double, double, double, double)
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void setCustomaryUnits(string, double, double, double, double, double, double)
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string geometry
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double diameter
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double well_depth
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double dipole
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double polarizability
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double rotational_relaxation
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double acentric_factor
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cdef extern from "cantera/equil/MultiPhase.h" namespace "Cantera":
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cdef cppclass CxxMultiPhase "Cantera::MultiPhase":
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CxxMultiPhase()
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void addPhase(CxxThermoPhase*, double) except +
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void init() except +
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void updatePhases() except +
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void equilibrate(string, string, double, int, int, int, int) except +
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size_t nSpecies()
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size_t nElements()
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size_t nPhases()
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size_t elementIndex(string) except +
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size_t speciesIndex(size_t, size_t) except +
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string speciesName(size_t) except +
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double nAtoms(size_t, size_t) except +
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double phaseMoles(size_t) except +
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void setPhaseMoles(size_t, double) except +
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void setMoles(double*) except +
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void setMolesByName(string) except +
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double speciesMoles(size_t) except +
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double elementMoles(size_t) except +
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void setTemperature(double) except +
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double temperature()
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void setPressure(double) except +
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double pressure()
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double minTemp() except +
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double maxTemp() except +
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double charge() except +
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double phaseCharge(size_t) except +
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void getChemPotentials(double*) except +
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double enthalpy() except +
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double entropy() except +
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double gibbs() except +
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double cp() except +
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double volume() except +
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cdef extern from "cantera/zeroD/ReactorBase.h" namespace "Cantera":
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cdef cppclass CxxWall "Cantera::Wall"
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cdef cppclass CxxFlowDevice "Cantera::FlowDevice"
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cdef cppclass CxxReactorBase "Cantera::ReactorBase":
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CxxReactorBase()
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void setThermoMgr(CxxThermoPhase&) except +
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void restoreState() except +
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void syncState() except +
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double volume()
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string name()
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void setName(string)
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void setInitialVolume(double)
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cdef extern from "cantera/zeroD/Reactor.h":
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cdef cppclass CxxReactor "Cantera::Reactor" (CxxReactorBase):
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CxxReactor()
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void setKineticsMgr(CxxKinetics&)
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void setEnergy(int)
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cbool energyEnabled()
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size_t componentIndex(string&)
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string componentName(size_t) except +
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size_t neq()
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void getState(double*)
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void addSensitivityReaction(size_t) except +
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void addSensitivitySpeciesEnthalpy(size_t) except +
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size_t nSensParams()
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|
|
|
cdef extern from "cantera/zeroD/FlowReactor.h":
|
|
cdef cppclass CxxFlowReactor "Cantera::FlowReactor" (CxxReactor):
|
|
CxxFlowReactor()
|
|
void setMassFlowRate(double) except +
|
|
double speed()
|
|
double distance()
|
|
|
|
|
|
cdef extern from "cantera/zeroD/Wall.h":
|
|
cdef cppclass CxxWall "Cantera::Wall":
|
|
CxxWall()
|
|
cbool install(CxxReactorBase&, CxxReactorBase&)
|
|
void setExpansionRateCoeff(double)
|
|
double getExpansionRateCoeff()
|
|
double area()
|
|
void setArea(double)
|
|
double getArea()
|
|
void setHeatTransferCoeff(double)
|
|
double getHeatTransferCoeff()
|
|
void setEmissivity(double) except +
|
|
double getEmissivity()
|
|
void setVelocity(CxxFunc1*)
|
|
void setHeatFlux(CxxFunc1*)
|
|
void setKinetics(CxxKinetics*, CxxKinetics*)
|
|
void setCoverages(int, double*)
|
|
void setCoverages(int, Composition&) except +
|
|
void syncCoverages(int)
|
|
double vdot(double)
|
|
double Q(double)
|
|
|
|
void addSensitivityReaction(int, size_t) except +
|
|
size_t nSensParams(int)
|
|
|
|
|
|
cdef extern from "cantera/zeroD/flowControllers.h":
|
|
cdef cppclass CxxFlowDevice "Cantera::FlowDevice":
|
|
CxxFlowDevice()
|
|
double massFlowRate(double) except +
|
|
cbool install(CxxReactorBase&, CxxReactorBase&) except +
|
|
void setFunction(CxxFunc1*)
|
|
void setParameters(int, double*)
|
|
|
|
cdef cppclass CxxMassFlowController "Cantera::MassFlowController" (CxxFlowDevice):
|
|
CxxMassFlowController()
|
|
|
|
cdef cppclass CxxValve "Cantera::Valve" (CxxFlowDevice):
|
|
CxxValve()
|
|
|
|
cdef cppclass CxxPressureController "Cantera::PressureController" (CxxFlowDevice):
|
|
CxxPressureController()
|
|
void setMaster(CxxFlowDevice*)
|
|
|
|
|
|
cdef extern from "cantera/zeroD/ReactorNet.h":
|
|
cdef cppclass CxxReactorNet "Cantera::ReactorNet":
|
|
CxxReactorNet()
|
|
void addReactor(CxxReactor&)
|
|
void advance(double) except +
|
|
double step(double) except +
|
|
void reinitialize() except +
|
|
double time()
|
|
void setInitialTime(double)
|
|
void setTolerances(double, double)
|
|
double rtol()
|
|
double atol()
|
|
void setMaxTimeStep(double)
|
|
void setMaxErrTestFails(int)
|
|
cbool verbose()
|
|
void setVerbose(cbool)
|
|
size_t neq()
|
|
void getState(double*)
|
|
string componentName(size_t) except +
|
|
|
|
void setSensitivityTolerances(double, double)
|
|
double rtolSensitivity()
|
|
double atolSensitivity()
|
|
double sensitivity(size_t, size_t) except +
|
|
double sensitivity(string&, size_t, int) except +
|
|
size_t nparams()
|
|
string sensitivityParameterName(size_t) except +
|
|
|
|
|
|
cdef extern from "cantera/thermo/ThermoFactory.h" namespace "Cantera":
|
|
cdef CxxThermoPhase* newPhase(string, string) except +
|
|
cdef CxxThermoPhase* newPhase(XML_Node&) except +
|
|
cdef CxxThermoPhase* newThermoPhase(string) except +
|
|
|
|
cdef extern from "cantera/kinetics/KineticsFactory.h" namespace "Cantera":
|
|
cdef CxxKinetics* newKineticsMgr(XML_Node&, vector[CxxThermoPhase*]) except +
|
|
cdef CxxKinetics* CxxNewKinetics "Cantera::newKineticsMgr" (string) except +
|
|
|
|
cdef extern from "cantera/transport/TransportFactory.h" namespace "Cantera":
|
|
cdef CxxTransport* newDefaultTransportMgr(CxxThermoPhase*) except +
|
|
cdef CxxTransport* newTransportMgr(string, CxxThermoPhase*) except +
|
|
|
|
cdef extern from "cantera/zeroD/ReactorFactory.h" namespace "Cantera":
|
|
cdef CxxReactorBase* newReactor(string) except +
|
|
|
|
cdef extern from "cantera/oneD/Domain1D.h":
|
|
cdef cppclass CxxDomain1D "Cantera::Domain1D":
|
|
size_t domainIndex()
|
|
size_t nComponents()
|
|
size_t nPoints()
|
|
string componentName(size_t) except +
|
|
size_t componentIndex(string) except +
|
|
void setBounds(size_t, double, double)
|
|
double upperBound(size_t)
|
|
double lowerBound(size_t)
|
|
void setTransientTolerances(double, double)
|
|
void setTransientTolerances(double, double, size_t)
|
|
void setSteadyTolerances(double, double)
|
|
void setSteadyTolerances(double, double, size_t)
|
|
double rtol(size_t)
|
|
double atol(size_t)
|
|
double steady_rtol(size_t)
|
|
double steady_atol(size_t)
|
|
double transient_rtol(size_t)
|
|
double transient_atol(size_t)
|
|
double grid(size_t)
|
|
void setupGrid(size_t, double*) except +
|
|
void setID(string)
|
|
string& id()
|
|
void setDesc(string)
|
|
string& desc()
|
|
|
|
|
|
cdef extern from "cantera/oneD/Inlet1D.h":
|
|
cdef cppclass CxxBdry1D "Cantera::Bdry1D":
|
|
double temperature()
|
|
void setTemperature(double)
|
|
double mdot()
|
|
void setMdot(double)
|
|
size_t nSpecies()
|
|
void setMoleFractions(double*) except +
|
|
void setMoleFractions(string) except +
|
|
double massFraction(size_t)
|
|
|
|
cdef cppclass CxxInlet1D "Cantera::Inlet1D":
|
|
CxxInlet1D()
|
|
double spreadRate()
|
|
void setSpreadRate(double)
|
|
|
|
cdef cppclass CxxOutlet1D "Cantera::Outlet1D":
|
|
CxxOutlet1D()
|
|
|
|
cdef cppclass CxxOutletRes1D "Cantera::OutletRes1D":
|
|
CxxOutletRes1D()
|
|
|
|
cdef cppclass CxxSymm1D "Cantera::Symm1D":
|
|
CxxSymm1D()
|
|
|
|
cdef cppclass CxxSurf1D "Cantera::Surf1D":
|
|
CxxSurf1D()
|
|
|
|
cdef cppclass CxxReactingSurf1D "Cantera::ReactingSurf1D":
|
|
CxxRreactingSurf1D()
|
|
void setKineticsMgr(CxxInterfaceKinetics*) except +
|
|
void enableCoverageEquations(cbool) except +
|
|
|
|
|
|
cdef extern from "cantera/oneD/StFlow.h":
|
|
cdef cppclass CxxStFlow "Cantera::StFlow":
|
|
CxxStFlow(CxxIdealGasPhase*, int, int)
|
|
void setKinetics(CxxKinetics&) except +
|
|
void setTransport(CxxTransport&, cbool) except +
|
|
void setTransport(CxxTransport&) except +
|
|
void setPressure(double)
|
|
void enableRadiation(cbool)
|
|
cbool radiationEnabled()
|
|
double pressure()
|
|
void setFixedTempProfile(vector[double]&, vector[double]&)
|
|
void setBoundaryEmissivities(double, double)
|
|
void solveEnergyEqn()
|
|
void fixTemperature()
|
|
cbool doEnergy(size_t)
|
|
void enableSoret(cbool)
|
|
cbool withSoret()
|
|
|
|
cdef cppclass CxxFreeFlame "Cantera::FreeFlame":
|
|
CxxFreeFlame(CxxIdealGasPhase*, int, int)
|
|
|
|
cdef cppclass CxxAxiStagnFlow "Cantera::AxiStagnFlow":
|
|
CxxAxiStagnFlow(CxxIdealGasPhase*, int, int)
|
|
|
|
|
|
cdef extern from "cantera/oneD/Sim1D.h":
|
|
cdef cppclass CxxSim1D "Cantera::Sim1D":
|
|
CxxSim1D(vector[CxxDomain1D*]&) except +
|
|
void setValue(size_t, size_t, size_t, double) except +
|
|
void setProfile(size_t, size_t, vector[double]&, vector[double]&) except +
|
|
void setFlatProfile(size_t, size_t, double) except +
|
|
void showSolution() except +
|
|
void setTimeStep(double, size_t, int*) except +
|
|
void restoreTimeSteppingSolution() except +
|
|
void restoreSteadySolution() except +
|
|
void setMaxTimeStepCount(int)
|
|
int maxTimeStepCount()
|
|
void getInitialSoln() except +
|
|
void solve(int, cbool) except +translate_exception
|
|
void refine(int) except +
|
|
void setRefineCriteria(size_t, double, double, double, double) except +
|
|
void save(string, string, string, int) except +
|
|
void restore(string, string, int) except +
|
|
void writeStats(int) except +
|
|
void clearStats()
|
|
void resize() except +
|
|
vector[size_t]& gridSizeStats()
|
|
vector[double]& jacobianTimeStats()
|
|
vector[double]& evalTimeStats()
|
|
vector[int]& jacobianCountStats()
|
|
vector[int]& evalCountStats()
|
|
vector[int]& timeStepStats()
|
|
|
|
int domainIndex(string) except +
|
|
double value(size_t, size_t, size_t) except +
|
|
double workValue(size_t, size_t, size_t) except +
|
|
void eval(double, int) except +
|
|
void setJacAge(int, int)
|
|
void setTimeStepFactor(double)
|
|
void setMinTimeStep(double)
|
|
void setMaxTimeStep(double)
|
|
void setGridMin(int, double) except +
|
|
void setFixedTemperature(double)
|
|
void setInterrupt(CxxFunc1*) except +
|
|
void setTimeStepCallback(CxxFunc1*)
|
|
void setSteadyCallback(CxxFunc1*)
|
|
|
|
cdef extern from "<sstream>":
|
|
cdef cppclass CxxStringStream "std::stringstream":
|
|
string str()
|
|
|
|
cdef extern from "cantera/kinetics/ReactionPath.h":
|
|
cdef enum CxxFlow_t "flow_t":
|
|
CxxNetFlow "Cantera::NetFlow"
|
|
CxxOneWayFlow "Cantera::OneWayFlow"
|
|
|
|
cdef cppclass CxxReactionPathDiagram "Cantera::ReactionPathDiagram":
|
|
cbool show_details
|
|
double threshold
|
|
string bold_color
|
|
string normal_color
|
|
string dashed_color
|
|
string dot_options
|
|
double bold_min
|
|
double dashed_max
|
|
double label_min
|
|
double scale
|
|
double arrow_width
|
|
CxxFlow_t flow_type
|
|
string title
|
|
void setFont(string)
|
|
string m_font
|
|
void add(CxxReactionPathDiagram&) except +
|
|
void exportToDot(CxxStringStream&)
|
|
void writeData(CxxStringStream&)
|
|
void displayOnly(size_t)
|
|
|
|
cdef cppclass CxxReactionPathBuilder "Cantera::ReactionPathBuilder":
|
|
void init(CxxStringStream&, CxxKinetics&) except +
|
|
void build(CxxKinetics&, string&, CxxStringStream&, CxxReactionPathDiagram&, cbool)
|
|
|
|
|
|
cdef extern from "cantera/cython/wrappers.h":
|
|
# config definitions
|
|
cdef string get_cantera_version()
|
|
cdef int get_sundials_version()
|
|
|
|
cdef cppclass CxxPythonLogger "PythonLogger":
|
|
pass
|
|
|
|
cdef void CxxSetLogger "setLogger" (CxxPythonLogger*)
|
|
|
|
# workaround for Cython assignment limitations
|
|
cdef void CxxArray2D_set(CxxArray2D, size_t, size_t, double)
|
|
|
|
# ThermoPhase composition
|
|
cdef void thermo_getMassFractions(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_setMassFractions(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_getMoleFractions(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_setMoleFractions(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_getConcentrations(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_setConcentrations(CxxThermoPhase*, double*) except +
|
|
|
|
# ThermoPhase partial molar properties
|
|
cdef void thermo_getChemPotentials(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_getElectrochemPotentials(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_getPartialMolarEnthalpies(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_getPartialMolarEntropies(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_getPartialMolarIntEnergies(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_getPartialMolarCp(CxxThermoPhase*, double*) except +
|
|
cdef void thermo_getPartialMolarVolumes(CxxThermoPhase*, double*) except +
|
|
|
|
# ThermoPhase partial non-dimensional properties
|
|
void thermo_getEnthalpy_RT(CxxThermoPhase*, double*) except +
|
|
void thermo_getEntropy_R(CxxThermoPhase*, double*) except +
|
|
void thermo_getIntEnergy_RT(CxxThermoPhase*, double*) except +
|
|
void thermo_getGibbs_RT(CxxThermoPhase*, double*) except +
|
|
void thermo_getCp_R(CxxThermoPhase*, double*) except +
|
|
|
|
# other ThermoPhase methods
|
|
cdef void thermo_getMolecularWeights(CxxThermoPhase*, double*) except +
|
|
|
|
# Kinetics per-reaction properties
|
|
cdef void kin_getFwdRatesOfProgress(CxxKinetics*, double*) except +
|
|
cdef void kin_getRevRatesOfProgress(CxxKinetics*, double*) except +
|
|
cdef void kin_getNetRatesOfProgress(CxxKinetics*, double*) except +
|
|
|
|
cdef void kin_getEquilibriumConstants(CxxKinetics*, double*) except +
|
|
cdef void kin_getFwdRateConstants(CxxKinetics*, double*) except +
|
|
cdef void kin_getRevRateConstants(CxxKinetics*, double*) except +
|
|
|
|
cdef void kin_getDeltaEnthalpy(CxxKinetics*, double*) except +
|
|
cdef void kin_getDeltaGibbs(CxxKinetics*, double*) except +
|
|
cdef void kin_getDeltaEntropy(CxxKinetics*, double*) except +
|
|
cdef void kin_getDeltaSSEnthalpy(CxxKinetics*, double*) except +
|
|
cdef void kin_getDeltaSSGibbs(CxxKinetics*, double*) except +
|
|
cdef void kin_getDeltaSSEntropy(CxxKinetics*, double*) except +
|
|
|
|
# Kinetics per-species properties
|
|
cdef void kin_getCreationRates(CxxKinetics*, double*) except +
|
|
cdef void kin_getDestructionRates(CxxKinetics*, double*) except +
|
|
cdef void kin_getNetProductionRates(CxxKinetics*, double*) except +
|
|
|
|
# Transport properties
|
|
cdef void tran_getMixDiffCoeffs(CxxTransport*, double*) except +
|
|
cdef void tran_getMixDiffCoeffsMass(CxxTransport*, double*) except +
|
|
cdef void tran_getMixDiffCoeffsMole(CxxTransport*, double*) except +
|
|
cdef void tran_getThermalDiffCoeffs(CxxTransport*, double*) except +
|
|
|
|
cdef void tran_getMultiDiffCoeffs(CxxTransport*, size_t, double*) except +
|
|
cdef void tran_getBinaryDiffCoeffs(CxxTransport*, size_t, double*) except +
|
|
|
|
# typedefs
|
|
ctypedef void (*thermoMethod1d)(CxxThermoPhase*, double*) except +
|
|
ctypedef void (*transportMethod1d)(CxxTransport*, double*) except +
|
|
ctypedef void (*transportMethod2d)(CxxTransport*, size_t, double*) except +
|
|
ctypedef void (*kineticsMethod1d)(CxxKinetics*, double*) except +
|
|
|
|
# classes
|
|
cdef class Species:
|
|
cdef shared_ptr[CxxSpecies] _species
|
|
cdef CxxSpecies* species
|
|
|
|
cdef _assign(self, shared_ptr[CxxSpecies] other)
|
|
|
|
cdef class SpeciesThermo:
|
|
cdef shared_ptr[CxxSpeciesThermo] _spthermo
|
|
cdef CxxSpeciesThermo* spthermo
|
|
cdef _assign(self, shared_ptr[CxxSpeciesThermo] other)
|
|
|
|
cdef class GasTransportData:
|
|
cdef shared_ptr[CxxTransportData] _data
|
|
cdef CxxGasTransportData* data
|
|
cdef _assign(self, shared_ptr[CxxTransportData] other)
|
|
|
|
cdef class _SolutionBase:
|
|
cdef CxxThermoPhase* thermo
|
|
cdef CxxKinetics* kinetics
|
|
cdef CxxTransport* transport
|
|
cdef int thermo_basis
|
|
cdef np.ndarray _selected_species
|
|
cdef object parent
|
|
cdef cbool is_slice
|
|
|
|
cdef class ThermoPhase(_SolutionBase):
|
|
cdef double _mass_factor(self)
|
|
cdef double _mole_factor(self)
|
|
cpdef int element_index(self, element) except *
|
|
cpdef int species_index(self, species) except *
|
|
cdef np.ndarray _getArray1(self, thermoMethod1d method)
|
|
cdef void _setArray1(self, thermoMethod1d method, values) except *
|
|
|
|
cdef class InterfacePhase(ThermoPhase):
|
|
cdef CxxSurfPhase* surf
|
|
|
|
cdef class Reaction:
|
|
cdef shared_ptr[CxxReaction] _reaction
|
|
cdef CxxReaction* reaction
|
|
cdef _assign(self, shared_ptr[CxxReaction] other)
|
|
|
|
cdef class Arrhenius:
|
|
cdef CxxArrhenius* rate
|
|
cdef Reaction reaction # parent reaction, to prevent garbage collection
|
|
|
|
cdef class Falloff:
|
|
cdef shared_ptr[CxxFalloff] _falloff
|
|
cdef CxxFalloff* falloff
|
|
|
|
cdef class Kinetics(_SolutionBase):
|
|
pass
|
|
|
|
cdef class InterfaceKinetics(Kinetics):
|
|
pass
|
|
|
|
cdef class Transport(_SolutionBase):
|
|
pass
|
|
|
|
cdef class DustyGasTransport(Transport):
|
|
pass
|
|
|
|
cdef class Mixture:
|
|
cdef CxxMultiPhase* mix
|
|
cdef list _phases
|
|
cpdef int element_index(self, element) except *
|
|
|
|
cdef class Func1:
|
|
cdef CxxFunc1* func
|
|
cdef object callable
|
|
cdef object exception
|
|
|
|
cdef class ReactorBase:
|
|
cdef CxxReactorBase* rbase
|
|
cdef object _thermo
|
|
cdef list _inlets
|
|
cdef list _outlets
|
|
cdef list _walls
|
|
|
|
cdef class Reactor(ReactorBase):
|
|
cdef CxxReactor* reactor
|
|
cdef object _kinetics
|
|
|
|
cdef class Reservoir(ReactorBase):
|
|
pass
|
|
|
|
cdef class ConstPressureReactor(Reactor):
|
|
pass
|
|
|
|
cdef class IdealGasReactor(Reactor):
|
|
pass
|
|
|
|
cdef class IdealGasConstPressureReactor(Reactor):
|
|
pass
|
|
|
|
cdef class FlowReactor(Reactor):
|
|
pass
|
|
|
|
cdef class WallSurface:
|
|
cdef CxxWall* cxxwall
|
|
cdef object wall
|
|
cdef int side
|
|
cdef Kinetics _kinetics
|
|
|
|
cdef class Wall:
|
|
cdef CxxWall wall
|
|
cdef WallSurface left_surface
|
|
cdef WallSurface right_surface
|
|
cdef object _velocity_func
|
|
cdef object _heat_flux_func
|
|
cdef ReactorBase _left_reactor
|
|
cdef ReactorBase _right_reactor
|
|
cdef str name
|
|
|
|
cdef class FlowDevice:
|
|
cdef CxxFlowDevice* dev
|
|
cdef Func1 _rate_func
|
|
cdef str name
|
|
cdef ReactorBase _upstream
|
|
cdef ReactorBase _downstream
|
|
|
|
cdef class MassFlowController(FlowDevice):
|
|
pass
|
|
|
|
cdef class Valve(FlowDevice):
|
|
pass
|
|
|
|
cdef class PressureController(FlowDevice):
|
|
pass
|
|
|
|
cdef class ReactorNet:
|
|
cdef CxxReactorNet net
|
|
cdef list _reactors
|
|
|
|
cdef class Domain1D:
|
|
cdef CxxDomain1D* domain
|
|
cdef _SolutionBase gas
|
|
cdef public pybool have_user_tolerances
|
|
|
|
cdef class Boundary1D(Domain1D):
|
|
cdef CxxBdry1D* boundary
|
|
|
|
cdef class Inlet1D(Boundary1D):
|
|
cdef CxxInlet1D* inlet
|
|
|
|
cdef class Outlet1D(Boundary1D):
|
|
cdef CxxOutlet1D* outlet
|
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cdef class OutletReservoir1D(Boundary1D):
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cdef CxxOutletRes1D* outlet
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cdef class SymmetryPlane1D(Boundary1D):
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cdef CxxSymm1D* symm
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cdef class Surface1D(Boundary1D):
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cdef CxxSurf1D* surf
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cdef class ReactingSurface1D(Boundary1D):
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cdef CxxReactingSurf1D* surf
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cdef class _FlowBase(Domain1D):
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cdef CxxStFlow* flow
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cdef class FreeFlow(_FlowBase):
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pass
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cdef class AxisymmetricStagnationFlow(_FlowBase):
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pass
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cdef class Sim1D:
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cdef CxxSim1D* sim
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cdef readonly object domains
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cdef object _initialized
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cdef object _initial_guess_args
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cdef object _initial_guess_kwargs
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cdef Func1 interrupt
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cdef Func1 time_step_callback
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cdef Func1 steady_callback
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cdef class ReactionPathDiagram:
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cdef CxxReactionPathDiagram diagram
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cdef CxxReactionPathBuilder builder
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cdef Kinetics kinetics
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cdef str element
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cdef pybool built
|
|
cdef CxxStringStream* _log
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|
|
# free functions
|
|
cdef string stringify(x) except *
|
|
cdef pystr(string x)
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|
cdef np.ndarray get_species_array(Kinetics kin, kineticsMethod1d method)
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cdef np.ndarray get_reaction_array(Kinetics kin, kineticsMethod1d method)
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cdef np.ndarray get_transport_1d(Transport tran, transportMethod1d method)
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cdef np.ndarray get_transport_2d(Transport tran, transportMethod2d method)
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cdef CxxIdealGasPhase* getIdealGasPhase(ThermoPhase phase) except *
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|
cdef wrapSpeciesThermo(shared_ptr[CxxSpeciesThermo] spthermo)
|
|
cdef Reaction wrapReaction(shared_ptr[CxxReaction] reaction)
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|
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cdef extern from "cantera/thermo/Elements.h" namespace "Cantera":
|
|
double getElementWeight(string ename) except +
|
|
double getElementWeight(int atomicNumber) except +
|
|
int numElementsDefined()
|
|
int getAtomicNumber(string ename) except +
|
|
string getElementSymbol(string ename) except +
|
|
string getElementSymbol(int atomicNumber) except +
|
|
string getElementName(string ename) except +
|
|
string getElementName(int atomicNumber) except +
|