MultiSpeciesThermo.cpp Source File#
MultiSpeciesThermo.cpp
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Header for a general species thermodynamic property manager for a phase (see MultiSpeciesThermo).
Header for factory functions to build instances of classes that manage the standard-state thermodynam...
Base class for exceptions thrown by Cantera classes.
Definition ctexceptions.h:66
bool ready(size_t nSpecies)
Check if data for all species (0 through nSpecies-1) has been installed.
Definition MultiSpeciesThermo.cpp:203
STIT_map m_sp
This is the main data structure, which contains the SpeciesThermoInterpType objects,...
Definition MultiSpeciesThermo.h:201
SpeciesThermoInterpType * provideSTIT(size_t k)
Provide the SpeciesThermoInterpType object.
Definition MultiSpeciesThermo.cpp:157
virtual void update(double T, double *cp_R, double *h_RT, double *s_R) const
Compute the reference-state properties for all species.
Definition MultiSpeciesThermo.cpp:94
virtual void install_STIT(size_t index, shared_ptr< SpeciesThermoInterpType > stit)
Install a new species thermodynamic property parameterization for one species.
Definition MultiSpeciesThermo.cpp:21
void markInstalled(size_t k)
Mark species k as having its thermodynamic data installed.
Definition MultiSpeciesThermo.cpp:215
virtual double refPressure() const
The reference-state pressure (Pa) for all species.
Definition MultiSpeciesThermo.cpp:152
virtual void modifySpecies(size_t index, shared_ptr< SpeciesThermoInterpType > spec)
Modify the species thermodynamic property parameterization for a species.
Definition MultiSpeciesThermo.cpp:53
virtual int reportType(size_t index) const
This utility function reports the type of parameterization used for the species with index number ind...
Definition MultiSpeciesThermo.cpp:108
virtual double minTemp(size_t k=npos) const
Minimum temperature.
Definition MultiSpeciesThermo.cpp:130
tpoly_map m_tpoly
Temperature polynomials for each thermo parameterization.
Definition MultiSpeciesThermo.h:204
virtual double maxTemp(size_t k=npos) const
Maximum temperature.
Definition MultiSpeciesThermo.cpp:141
virtual void update_single(size_t k, double T, double *cp_R, double *h_RT, double *s_R) const
Get reference-state properties for a single species.
Definition MultiSpeciesThermo.cpp:85
map< size_t, pair< int, size_t > > m_speciesLoc
Map from species index to location within m_sp, such that m_sp[m_speciesLoc[k].first][m_speciesLoc[k]...
Definition MultiSpeciesThermo.h:209
vector< bool > m_installed
indicates if data for species has been installed
Definition MultiSpeciesThermo.h:221
virtual void modifyOneHf298(const size_t k, const double Hf298New)
Modify the value of the 298 K Heat of Formation of the standard state of one species in the phase (J ...
Definition MultiSpeciesThermo.cpp:187
virtual void reportParams(size_t index, int &type, double *const c, double &minTemp, double &maxTemp, double &refPressure) const
This utility function reports back the type of parameterization and all of the parameters for the spe...
Definition MultiSpeciesThermo.cpp:117
virtual void resetHf298(const size_t k)
Restore the original heat of formation of one or more species.
Definition MultiSpeciesThermo.cpp:195
virtual double reportOneHf298(const size_t k) const
Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)
Definition MultiSpeciesThermo.cpp:177
Abstract Base class for the thermodynamic manager for an individual species' reference state.
Definition SpeciesThermoInterpType.h:113
virtual void reportParameters(size_t &index, int &type, double &minTemp, double &maxTemp, double &refPressure, double *const coeffs) const
This utility function returns the type of parameterization and all of the parameters for the species.
Definition SpeciesThermoInterpType.cpp:41
virtual double minTemp() const
Returns the minimum temperature that the thermo parameterization is valid.
Definition SpeciesThermoInterpType.h:127
virtual double maxTemp() const
Returns the maximum temperature that the thermo parameterization is valid.
Definition SpeciesThermoInterpType.h:138
virtual double reportHf298(double *const h298=0) const
Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)
Definition SpeciesThermoInterpType.cpp:65
virtual void resetHf298()
Restore the original heat of formation for this species.
Definition SpeciesThermoInterpType.h:269
virtual void updatePropertiesTemp(const double temp, double *cp_R, double *h_RT, double *s_R) const
Compute the reference-state property of one species.
Definition SpeciesThermoInterpType.cpp:30
virtual int reportType() const
Returns an integer representing the type of parameterization.
Definition SpeciesThermoInterpType.h:162
virtual void modifyOneHf298(const size_t k, const double Hf298New)
Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
Definition SpeciesThermoInterpType.cpp:70
Definitions for the classes that are thrown when Cantera experiences an error condition (also contain...
This file contains definitions for utility functions and text for modules, inputfiles and logging,...
#define AssertThrowMsg(expr, procedure,...)
Assertion must be true or an error is thrown.
Definition ctexceptions.h:278
Contains declarations for string manipulation functions within Cantera.
Various templated functions that carry out common vector and polynomial operations (see Templated Arr...
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