1101 lines
43 KiB
Cython
1101 lines
43 KiB
Cython
# This file is part of Cantera. See License.txt in the top-level directory or
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# at https://cantera.org/license.txt for license and copyright information.
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# cython: language_level=3
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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/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 "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 +translate_exception
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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 string CxxGetDataDirectories "Cantera::getDataDirectories" (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 +translate_exception
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cdef XML_Node* CxxGetXmlFromString "Cantera::get_XML_from_string" (string) except +translate_exception
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cdef void Cxx_make_deprecation_warnings_fatal "Cantera::make_deprecation_warnings_fatal" ()
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cdef void Cxx_suppress_thermo_warnings "Cantera::suppress_thermo_warnings" (cbool)
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cdef string CxxGitCommit "Cantera::gitCommit" ()
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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 +translate_exception
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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 +translate_exception
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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 +translate_exception
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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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string type()
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string report(cbool, double) except +translate_exception
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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 +translate_exception
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double maxTemp() except +translate_exception
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double refPressure() except +translate_exception
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cbool getElementPotentials(double*) except +translate_exception
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void equilibrate(string, string, double, int, int, int, int) except +translate_exception
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void saveState(size_t, double*)
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void restoreState(size_t, double*)
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# initialization
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void addUndefinedElements() except +translate_exception
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cbool addSpecies(shared_ptr[CxxSpecies]) except +translate_exception
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void modifySpecies(size_t, shared_ptr[CxxSpecies]) except +translate_exception
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void initThermo() except +translate_exception
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void invalidateCache() except +translate_exception
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# basic thermodynamic properties
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double temperature() except +translate_exception
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double pressure() except +translate_exception
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double density() except +translate_exception
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double molarDensity() except +translate_exception
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double molarVolume() except +translate_exception
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double isothermalCompressibility() except +translate_exception
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double thermalExpansionCoeff() except +translate_exception
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double electricPotential() except +translate_exception
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void setElectricPotential(double) except +translate_exception
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# element properties
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size_t nElements()
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size_t elementIndex(string) except +translate_exception
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string elementName(size_t) except +translate_exception
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double atomicWeight(size_t) except +translate_exception
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# species properties
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size_t nSpecies()
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shared_ptr[CxxSpecies] species(string) except +translate_exception
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shared_ptr[CxxSpecies] species(size_t) except +translate_exception
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size_t speciesIndex(string) except +translate_exception
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string speciesName(size_t) except +translate_exception
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double nAtoms(size_t, size_t) except +translate_exception
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void getAtoms(size_t, double*) except +translate_exception
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double molecularWeight(size_t) except +translate_exception
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double meanMolecularWeight()
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# composition
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void setMassFractionsByName(string) except +translate_exception
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void setMassFractionsByName(Composition&) except +translate_exception
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void setMassFractions_NoNorm(double*) except +translate_exception
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Composition getMassFractionsByName(double)
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double massFraction(size_t) except +translate_exception
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double massFraction(string) except +translate_exception
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void setMoleFractionsByName(string) except +translate_exception
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void setMoleFractionsByName(Composition&) except +translate_exception
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void setMoleFractions_NoNorm(double*) except +translate_exception
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void getMoleFractions(double*) except +translate_exception
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Composition getMoleFractionsByName(double)
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double moleFraction(size_t) except +translate_exception
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double moleFraction(string) except +translate_exception
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double concentration(size_t) except +translate_exception
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double elementalMassFraction(size_t) except +translate_exception
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double elementalMoleFraction(size_t) except +translate_exception
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# state setters
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void setState_TR(double, double) except +translate_exception
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void setState_TP(double, double) except +translate_exception
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void setState_HP(double, double) except +translate_exception
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void setState_UV(double, double) except +translate_exception
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void setState_SP(double, double) except +translate_exception
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void setState_SV(double, double) except +translate_exception
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void setState_RP(double, double) except +translate_exception
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void setState_ST(double, double) except +translate_exception
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void setState_TV(double, double) except +translate_exception
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void setState_PV(double, double) except +translate_exception
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void setState_UP(double, double) except +translate_exception
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void setState_VH(double, double) except +translate_exception
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void setState_TH(double, double) except +translate_exception
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void setState_SH(double, double) except +translate_exception
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# molar thermodynamic properties:
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double enthalpy_mole() except +translate_exception
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double intEnergy_mole() except +translate_exception
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double entropy_mole() except +translate_exception
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double gibbs_mole() except +translate_exception
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double cp_mole() except +translate_exception
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double cv_mole() except +translate_exception
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# specific (mass) properties:
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double enthalpy_mass() except +translate_exception
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double intEnergy_mass() except +translate_exception
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double entropy_mass() except +translate_exception
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double gibbs_mass() except +translate_exception
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double cp_mass() except +translate_exception
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double cv_mass() except +translate_exception
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# PureFluid properties
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double critTemperature() except +translate_exception
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double critPressure() except +translate_exception
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double critDensity() except +translate_exception
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double satTemperature(double P) except +translate_exception
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double satPressure(double T) except +translate_exception
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double vaporFraction() except +translate_exception
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void setState_Tsat(double T, double x) except +translate_exception
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void setState_Psat(double P, double x) except +translate_exception
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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 +translate_exception
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void setCoverages(double*) except +translate_exception
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void setCoveragesByName(Composition&) except +translate_exception
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void setCoveragesNoNorm(double*) except +translate_exception
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void getCoverages(double*) except +translate_exception
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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 +translate_exception
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cdef vector[shared_ptr[CxxReaction]] CxxGetReactions "getReactions" (XML_Node&) except +translate_exception
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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 +translate_exception
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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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cbool use_motz_wise_correction
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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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string kineticsType()
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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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string kineticsSpeciesName(int)
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CxxThermoPhase& thermo(int)
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void addPhase(CxxThermoPhase&) except +translate_exception
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void init() except +translate_exception
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void skipUndeclaredThirdBodies(cbool)
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void addReaction(shared_ptr[CxxReaction]) except +translate_exception
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void modifyReaction(int, shared_ptr[CxxReaction]) except +translate_exception
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void invalidateCache() except +translate_exception
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shared_ptr[CxxReaction] reaction(size_t) except +translate_exception
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cbool isReversible(int) except +translate_exception
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int reactionType(int) except +translate_exception
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string reactionString(int) except +translate_exception
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string reactantString(int) except +translate_exception
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string productString(int) except +translate_exception
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double reactantStoichCoeff(int, int) except +translate_exception
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double productStoichCoeff(int, int) except +translate_exception
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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, double, double, double, size_t, size_t) except +translate_exception
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void solvePseudoSteadyStateProblem() except +translate_exception
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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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string transportType()
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double viscosity() except +translate_exception
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double thermalConductivity() except +translate_exception
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double electricalConductivity() except +translate_exception
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void getSpeciesViscosities(double*) except +translate_exception
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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 +translate_exception
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void setTortuosity(double) except +translate_exception
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void setMeanPoreRadius(double) except +translate_exception
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void setMeanParticleDiameter(double) except +translate_exception
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void setPermeability(double) except +translate_exception
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void getMolarFluxes(double*, double*, double, double*) except +translate_exception
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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, double, double)
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void setCustomaryUnits(string, double, double, 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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double dispersion_coefficient
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double quadrupole_polarizability
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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 +translate_exception
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void init() except +translate_exception
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void updatePhases() except +translate_exception
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void equilibrate(string, string, double, int, int, int, int) except +translate_exception
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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 +translate_exception
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size_t speciesIndex(size_t, size_t) except +translate_exception
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string speciesName(size_t) except +translate_exception
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double nAtoms(size_t, size_t) except +translate_exception
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double phaseMoles(size_t) except +translate_exception
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void setPhaseMoles(size_t, double) except +translate_exception
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void setMoles(double*) except +translate_exception
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void setMolesByName(string) except +translate_exception
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double speciesMoles(size_t) except +translate_exception
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double elementMoles(size_t) except +translate_exception
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void setTemperature(double) except +translate_exception
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double temperature()
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void setPressure(double) except +translate_exception
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double pressure()
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double minTemp() except +translate_exception
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double maxTemp() except +translate_exception
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double charge() except +translate_exception
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double phaseCharge(size_t) except +translate_exception
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void getChemPotentials(double*) except +translate_exception
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double enthalpy() except +translate_exception
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double entropy() except +translate_exception
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double gibbs() except +translate_exception
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double cp() except +translate_exception
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double volume() except +translate_exception
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cdef extern from "cantera/zerodim.h" namespace "Cantera":
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cdef cppclass CxxWall "Cantera::Wall"
|
|
cdef cppclass CxxReactorSurface "Cantera::ReactorSurface"
|
|
cdef cppclass CxxFlowDevice "Cantera::FlowDevice"
|
|
|
|
# factories
|
|
|
|
cdef CxxReactorBase* newReactor(string) except +translate_exception
|
|
cdef CxxFlowDevice* newFlowDevice(string) except +translate_exception
|
|
cdef CxxWallBase* newWall(string) except +translate_exception
|
|
|
|
# reactors
|
|
|
|
cdef cppclass CxxReactorBase "Cantera::ReactorBase":
|
|
CxxReactorBase()
|
|
void setThermoMgr(CxxThermoPhase&) except +translate_exception
|
|
void restoreState() except +translate_exception
|
|
void syncState() except +translate_exception
|
|
double volume()
|
|
string name()
|
|
void setName(string)
|
|
void setInitialVolume(double)
|
|
|
|
cdef cppclass CxxReactor "Cantera::Reactor" (CxxReactorBase):
|
|
CxxReactor()
|
|
void setKineticsMgr(CxxKinetics&)
|
|
void setChemistry(cbool)
|
|
cbool chemistryEnabled()
|
|
void setEnergy(int)
|
|
cbool energyEnabled()
|
|
size_t componentIndex(string&)
|
|
string componentName(size_t) except +translate_exception
|
|
size_t neq()
|
|
void getState(double*)
|
|
void addSurface(CxxReactorSurface*)
|
|
|
|
void addSensitivityReaction(size_t) except +translate_exception
|
|
void addSensitivitySpeciesEnthalpy(size_t) except +translate_exception
|
|
size_t nSensParams()
|
|
|
|
cdef cppclass CxxFlowReactor "Cantera::FlowReactor" (CxxReactor):
|
|
CxxFlowReactor()
|
|
void setMassFlowRate(double) except +translate_exception
|
|
double speed()
|
|
double distance()
|
|
|
|
# walls
|
|
|
|
cdef cppclass CxxWallBase "Cantera::WallBase":
|
|
CxxWallBase()
|
|
string type()
|
|
cbool install(CxxReactorBase&, CxxReactorBase&)
|
|
double area()
|
|
void setArea(double)
|
|
void setKinetics(CxxKinetics*, CxxKinetics*)
|
|
void setCoverages(int, double*)
|
|
void setCoverages(int, Composition&) except +translate_exception
|
|
void syncCoverages(int)
|
|
double vdot(double)
|
|
double Q(double)
|
|
|
|
void addSensitivityReaction(int, size_t) except +translate_exception
|
|
size_t nSensParams(int)
|
|
|
|
cdef cppclass CxxWall "Cantera::Wall" (CxxWallBase):
|
|
CxxWall()
|
|
void setExpansionRateCoeff(double)
|
|
double getExpansionRateCoeff()
|
|
void setHeatTransferCoeff(double)
|
|
double getHeatTransferCoeff()
|
|
void setEmissivity(double) except +translate_exception
|
|
double getEmissivity()
|
|
void setVelocity(CxxFunc1*)
|
|
void setHeatFlux(CxxFunc1*)
|
|
|
|
# reactor surface
|
|
|
|
cdef cppclass CxxReactorSurface "Cantera::ReactorSurface":
|
|
CxxReactorSurface()
|
|
double area()
|
|
void setArea(double)
|
|
void setKinetics(CxxKinetics*)
|
|
void setCoverages(double*)
|
|
void setCoverages(Composition&) except +translate_exception
|
|
void syncCoverages()
|
|
void addSensitivityReaction(size_t) except +translate_exception
|
|
size_t nSensParams()
|
|
|
|
# flow devices
|
|
|
|
cdef cppclass CxxFlowDevice "Cantera::FlowDevice":
|
|
CxxFlowDevice()
|
|
double massFlowRate(double) except +translate_exception
|
|
cbool install(CxxReactorBase&, CxxReactorBase&) except +translate_exception
|
|
void setFunction(CxxFunc1*)
|
|
|
|
cdef cppclass CxxMassFlowController "Cantera::MassFlowController" (CxxFlowDevice):
|
|
CxxMassFlowController()
|
|
|
|
cdef cppclass CxxValve "Cantera::Valve" (CxxFlowDevice):
|
|
void setPressureCoeff(double)
|
|
CxxValve()
|
|
|
|
cdef cppclass CxxPressureController "Cantera::PressureController" (CxxFlowDevice):
|
|
CxxPressureController()
|
|
void setPressureCoeff(double)
|
|
void setMaster(CxxFlowDevice*)
|
|
|
|
# reactor net
|
|
|
|
cdef cppclass CxxReactorNet "Cantera::ReactorNet":
|
|
CxxReactorNet()
|
|
void addReactor(CxxReactor&)
|
|
void advance(double) except +translate_exception
|
|
double step() except +translate_exception
|
|
void reinitialize() except +translate_exception
|
|
double time()
|
|
void setInitialTime(double)
|
|
void setTolerances(double, double)
|
|
double rtol()
|
|
double atol()
|
|
void setMaxTimeStep(double)
|
|
void setMaxErrTestFails(int)
|
|
void setMaxSteps(int)
|
|
int maxSteps()
|
|
cbool verbose()
|
|
void setVerbose(cbool)
|
|
size_t neq()
|
|
void getState(double*)
|
|
string componentName(size_t) except +translate_exception
|
|
|
|
void setSensitivityTolerances(double, double)
|
|
double rtolSensitivity()
|
|
double atolSensitivity()
|
|
double sensitivity(size_t, size_t) except +translate_exception
|
|
double sensitivity(string&, size_t, int) except +translate_exception
|
|
size_t nparams()
|
|
string sensitivityParameterName(size_t) except +translate_exception
|
|
|
|
|
|
cdef extern from "cantera/thermo/ThermoFactory.h" namespace "Cantera":
|
|
cdef CxxThermoPhase* newPhase(string, string) except +translate_exception
|
|
cdef CxxThermoPhase* newPhase(XML_Node&) except +translate_exception
|
|
cdef CxxThermoPhase* newThermoPhase(string) except +translate_exception
|
|
|
|
cdef extern from "cantera/kinetics/KineticsFactory.h" namespace "Cantera":
|
|
cdef CxxKinetics* newKineticsMgr(XML_Node&, vector[CxxThermoPhase*]) except +translate_exception
|
|
cdef CxxKinetics* CxxNewKinetics "Cantera::newKineticsMgr" (string) except +translate_exception
|
|
|
|
cdef extern from "cantera/transport/TransportFactory.h" namespace "Cantera":
|
|
cdef CxxTransport* newDefaultTransportMgr(CxxThermoPhase*) except +translate_exception
|
|
cdef CxxTransport* newTransportMgr(string, CxxThermoPhase*) except +translate_exception
|
|
|
|
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 +translate_exception
|
|
size_t componentIndex(string) except +translate_exception
|
|
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 +translate_exception
|
|
void setID(string)
|
|
string& id()
|
|
|
|
|
|
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 +translate_exception
|
|
void setMoleFractions(string) except +translate_exception
|
|
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 +translate_exception
|
|
void enableCoverageEquations(cbool) except +translate_exception
|
|
|
|
|
|
cdef extern from "cantera/oneD/StFlow.h":
|
|
cdef cppclass CxxStFlow "Cantera::StFlow":
|
|
CxxStFlow(CxxIdealGasPhase*, int, int)
|
|
void setKinetics(CxxKinetics&) except +translate_exception
|
|
void setTransport(CxxTransport&, cbool) except +translate_exception
|
|
void setTransport(CxxTransport&) except +translate_exception
|
|
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) except +translate_exception
|
|
cbool withSoret()
|
|
void setFreeFlow()
|
|
void setAxisymmetricFlow()
|
|
|
|
|
|
cdef extern from "cantera/oneD/IonFlow.h":
|
|
cdef cppclass CxxIonFlow "Cantera::IonFlow":
|
|
CxxIonFlow(CxxIdealGasPhase*, int, int)
|
|
void setSolvingStage(int)
|
|
void solveElectricField()
|
|
void fixElectricField()
|
|
cbool doElectricField(size_t)
|
|
|
|
|
|
cdef extern from "cantera/oneD/Sim1D.h":
|
|
cdef cppclass CxxSim1D "Cantera::Sim1D":
|
|
CxxSim1D(vector[CxxDomain1D*]&) except +translate_exception
|
|
void setValue(size_t, size_t, size_t, double) except +translate_exception
|
|
void setProfile(size_t, size_t, vector[double]&, vector[double]&) except +translate_exception
|
|
void setFlatProfile(size_t, size_t, double) except +translate_exception
|
|
void showSolution() except +translate_exception
|
|
void setTimeStep(double, size_t, int*) except +translate_exception
|
|
void restoreTimeSteppingSolution() except +translate_exception
|
|
void restoreSteadySolution() except +translate_exception
|
|
void setMaxTimeStepCount(int)
|
|
int maxTimeStepCount()
|
|
void getInitialSoln() except +translate_exception
|
|
void solve(int, cbool) except +translate_exception
|
|
void refine(int) except +translate_exception
|
|
void setRefineCriteria(size_t, double, double, double, double) except +translate_exception
|
|
vector[double] getRefineCriteria(int) except +translate_exception
|
|
void save(string, string, string, int) except +translate_exception
|
|
void restore(string, string, int) except +translate_exception
|
|
void writeStats(int) except +translate_exception
|
|
void clearStats()
|
|
void resize() except +translate_exception
|
|
vector[size_t]& gridSizeStats()
|
|
vector[double]& jacobianTimeStats()
|
|
vector[double]& evalTimeStats()
|
|
vector[int]& jacobianCountStats()
|
|
vector[int]& evalCountStats()
|
|
vector[int]& timeStepStats()
|
|
|
|
int domainIndex(string) except +translate_exception
|
|
double value(size_t, size_t, size_t) except +translate_exception
|
|
double workValue(size_t, size_t, size_t) except +translate_exception
|
|
void eval(double ) except +translate_exception
|
|
size_t size()
|
|
void solveAdjoint(const double*, double*) except +translate_exception
|
|
void getResidual(double, double*) except +translate_exception
|
|
void setJacAge(int, int)
|
|
void setTimeStepFactor(double)
|
|
void setMinTimeStep(double)
|
|
void setMaxTimeStep(double)
|
|
void setMaxGridPoints(int, size_t) except +translate_exception
|
|
size_t maxGridPoints(size_t) except +translate_exception
|
|
void setGridMin(int, double) except +translate_exception
|
|
void setFixedTemperature(double) except +translate_exception
|
|
void setInterrupt(CxxFunc1*) except +translate_exception
|
|
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 +translate_exception
|
|
void exportToDot(CxxStringStream&)
|
|
void writeData(CxxStringStream&)
|
|
void displayOnly(size_t)
|
|
|
|
cdef cppclass CxxReactionPathBuilder "Cantera::ReactionPathBuilder":
|
|
void init(CxxStringStream&, CxxKinetics&) except +translate_exception
|
|
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 +translate_exception
|
|
cdef void thermo_setMassFractions(CxxThermoPhase*, double*) except +translate_exception
|
|
cdef void thermo_getMoleFractions(CxxThermoPhase*, double*) except +translate_exception
|
|
cdef void thermo_setMoleFractions(CxxThermoPhase*, double*) except +translate_exception
|
|
cdef void thermo_getConcentrations(CxxThermoPhase*, double*) except +translate_exception
|
|
cdef void thermo_setConcentrations(CxxThermoPhase*, double*) except +translate_exception
|
|
|
|
# ThermoPhase partial molar properties
|
|
cdef void thermo_getChemPotentials(CxxThermoPhase*, double*) except +translate_exception
|
|
cdef void thermo_getElectrochemPotentials(CxxThermoPhase*, double*) except +translate_exception
|
|
cdef void thermo_getPartialMolarEnthalpies(CxxThermoPhase*, double*) except +translate_exception
|
|
cdef void thermo_getPartialMolarEntropies(CxxThermoPhase*, double*) except +translate_exception
|
|
cdef void thermo_getPartialMolarIntEnergies(CxxThermoPhase*, double*) except +translate_exception
|
|
cdef void thermo_getPartialMolarCp(CxxThermoPhase*, double*) except +translate_exception
|
|
cdef void thermo_getPartialMolarVolumes(CxxThermoPhase*, double*) except +translate_exception
|
|
|
|
# ThermoPhase partial non-dimensional properties
|
|
void thermo_getEnthalpy_RT(CxxThermoPhase*, double*) except +translate_exception
|
|
void thermo_getEntropy_R(CxxThermoPhase*, double*) except +translate_exception
|
|
void thermo_getIntEnergy_RT(CxxThermoPhase*, double*) except +translate_exception
|
|
void thermo_getGibbs_RT(CxxThermoPhase*, double*) except +translate_exception
|
|
void thermo_getCp_R(CxxThermoPhase*, double*) except +translate_exception
|
|
void thermo_getActivities(CxxThermoPhase*, double*) except +translate_exception
|
|
void thermo_getActivityCoefficients(CxxThermoPhase*, double*) except +translate_exception
|
|
|
|
# other ThermoPhase methods
|
|
cdef void thermo_getMolecularWeights(CxxThermoPhase*, double*) except +translate_exception
|
|
|
|
# Kinetics per-reaction properties
|
|
cdef void kin_getFwdRatesOfProgress(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getRevRatesOfProgress(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getNetRatesOfProgress(CxxKinetics*, double*) except +translate_exception
|
|
|
|
cdef void kin_getEquilibriumConstants(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getFwdRateConstants(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getRevRateConstants(CxxKinetics*, double*) except +translate_exception
|
|
|
|
cdef void kin_getDeltaEnthalpy(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getDeltaGibbs(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getDeltaEntropy(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getDeltaSSEnthalpy(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getDeltaSSGibbs(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getDeltaSSEntropy(CxxKinetics*, double*) except +translate_exception
|
|
|
|
# Kinetics per-species properties
|
|
cdef void kin_getCreationRates(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getDestructionRates(CxxKinetics*, double*) except +translate_exception
|
|
cdef void kin_getNetProductionRates(CxxKinetics*, double*) except +translate_exception
|
|
|
|
# Transport properties
|
|
cdef void tran_getMixDiffCoeffs(CxxTransport*, double*) except +translate_exception
|
|
cdef void tran_getMixDiffCoeffsMass(CxxTransport*, double*) except +translate_exception
|
|
cdef void tran_getMixDiffCoeffsMole(CxxTransport*, double*) except +translate_exception
|
|
cdef void tran_getThermalDiffCoeffs(CxxTransport*, double*) except +translate_exception
|
|
cdef void tran_getSpeciesViscosities(CxxTransport*, double*) except +translate_exception
|
|
cdef void tran_getMobilities(CxxTransport*, double*) except +translate_exception
|
|
|
|
cdef void tran_getMultiDiffCoeffs(CxxTransport*, size_t, double*) except +translate_exception
|
|
cdef void tran_getBinaryDiffCoeffs(CxxTransport*, size_t, double*) except +translate_exception
|
|
|
|
# typedefs
|
|
ctypedef void (*thermoMethod1d)(CxxThermoPhase*, double*) except +translate_exception
|
|
ctypedef void (*transportMethod1d)(CxxTransport*, double*) except +translate_exception
|
|
ctypedef void (*transportMethod2d)(CxxTransport*, size_t, double*) except +translate_exception
|
|
ctypedef void (*kineticsMethod1d)(CxxKinetics*, double*) except +translate_exception
|
|
|
|
# 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 shared_ptr[CxxThermoPhase] _thermo
|
|
cdef CxxThermoPhase* thermo
|
|
cdef shared_ptr[CxxKinetics] _kinetics
|
|
cdef CxxKinetics* kinetics
|
|
cdef shared_ptr[CxxTransport] _transport
|
|
cdef CxxTransport* transport
|
|
cdef int thermo_basis
|
|
cdef np.ndarray _selected_species
|
|
cdef object parent
|
|
|
|
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 public object _references
|
|
|
|
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)
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|
|
|
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
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|
|
|
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
|
|
cdef object _weakref_proxy
|
|
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
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|
cdef list _outlets
|
|
cdef list _walls
|
|
cdef object _weakref_proxy
|
|
|
|
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 ReactorSurface:
|
|
cdef CxxReactorSurface* surface
|
|
cdef Kinetics _kinetics
|
|
|
|
cdef class WallSurface:
|
|
cdef CxxWallBase* cxxwall
|
|
cdef object wall
|
|
cdef int side
|
|
cdef Kinetics _kinetics
|
|
|
|
cdef class WallBase:
|
|
cdef CxxWallBase* 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 Wall(WallBase):
|
|
pass
|
|
|
|
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 object _weakref_proxy
|
|
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
|
|
|
|
cdef class OutletReservoir1D(Boundary1D):
|
|
cdef CxxOutletRes1D* outlet
|
|
|
|
cdef class SymmetryPlane1D(Boundary1D):
|
|
cdef CxxSymm1D* symm
|
|
|
|
cdef class Surface1D(Boundary1D):
|
|
cdef CxxSurf1D* surf
|
|
|
|
cdef class ReactingSurface1D(Boundary1D):
|
|
cdef CxxReactingSurf1D* surf
|
|
|
|
cdef class _FlowBase(Domain1D):
|
|
cdef CxxStFlow* flow
|
|
|
|
cdef class IdealGasFlow(_FlowBase):
|
|
pass
|
|
|
|
cdef class FreeFlow(IdealGasFlow):
|
|
pass
|
|
|
|
cdef class IonFlow(_FlowBase):
|
|
pass
|
|
|
|
cdef class AxisymmetricStagnationFlow(IdealGasFlow):
|
|
pass
|
|
|
|
cdef class Sim1D:
|
|
cdef CxxSim1D* sim
|
|
cdef readonly object domains
|
|
cdef object _initialized
|
|
cdef object _initial_guess_args
|
|
cdef object _initial_guess_kwargs
|
|
cdef public Func1 _interrupt
|
|
cdef public Func1 _time_step_callback
|
|
cdef public Func1 _steady_callback
|
|
|
|
cdef class ReactionPathDiagram:
|
|
cdef CxxReactionPathDiagram diagram
|
|
cdef CxxReactionPathBuilder builder
|
|
cdef Kinetics kinetics
|
|
cdef str element
|
|
cdef pybool built
|
|
cdef CxxStringStream* _log
|
|
|
|
# free functions
|
|
cdef string stringify(x) except *
|
|
cdef pystr(string x)
|
|
cdef np.ndarray get_species_array(Kinetics kin, kineticsMethod1d method)
|
|
cdef np.ndarray get_reaction_array(Kinetics kin, kineticsMethod1d method)
|
|
cdef np.ndarray get_transport_1d(Transport tran, transportMethod1d method)
|
|
cdef np.ndarray get_transport_2d(Transport tran, transportMethod2d method)
|
|
cdef CxxIdealGasPhase* getIdealGasPhase(ThermoPhase phase) except *
|
|
cdef wrapSpeciesThermo(shared_ptr[CxxSpeciesThermo] spthermo)
|
|
cdef Reaction wrapReaction(shared_ptr[CxxReaction] reaction)
|
|
|
|
cdef extern from "cantera/thermo/Elements.h" namespace "Cantera":
|
|
double getElementWeight(string ename) except +translate_exception
|
|
double getElementWeight(int atomicNumber) except +translate_exception
|
|
int numElementsDefined()
|
|
int getAtomicNumber(string ename) except +translate_exception
|
|
string getElementSymbol(string ename) except +translate_exception
|
|
string getElementSymbol(int atomicNumber) except +translate_exception
|
|
string getElementName(string ename) except +translate_exception
|
|
string getElementName(int atomicNumber) except +translate_exception
|