Cantera  2.0
Public Member Functions | Public Attributes | Private Member Functions | List of all members
Species Class Reference

Holds species data read in from entries in the THERMO section of a chemkin or nasa9 fortran formatted input file. More...

#include <Species.h>

Public Member Functions

 Species ()
 Construct an empty Species object.
 
 Species (const Species &s)
 Copy constructor.
 
 ~Species ()
 Destructor.
 
Species & operator= (const Species &s)
 Assignment operator.
 
bool operator== (const Species &s) const
 Test for equality based on name only.
 
bool operator!= (const Species &s) const
 
bool operator< (const Species &s) const
 Used to sort lists of species by index number.
 

Public Attributes

int thermoFormatType
 Type of thermodynamic representation.
 
std::string name
 Species Name.
 
std::string id
 ID tag from 'date' field in input.
 
std::string phase
 Phase string. Usually "G", "L", or "S".
 
double tlow
 Min temperature for thermo data fit.
 
double tmid
 Mid temperature for thermo data fit.
 
double thigh
 Max temperature for thermo data fit.
 
std::vector< Constituent > elements
 list of Constituent objects defining elemental composition
 
std::map< std::string, double > comp
 map from element symbols to atom numbers
 
vector_fp lowCoeffs
 polynomial coefficients for the lower temperature range
 
vector_fp highCoeffs
 polynomial coefficients for the upper temperature range
 
int nTempRegions
 Number of temperature regions.
 
std::vector< vector_fp * > region_coeffs
 
vector_fp minTemps
 
vector_fp maxTemps
 
int valid
 flag set by the validation routines
 
int index
 position in the list of species in the input file
 
std::string m_commentsRef
 

Private Member Functions

void delR ()
 Delete private data.
 

Detailed Description

Holds species data read in from entries in the THERMO section of a chemkin or nasa9 fortran formatted input file.

Definition at line 21 of file Species.h.

Constructor & Destructor Documentation

Species ( )

Construct an empty Species object.

Definition at line 17 of file Species.cpp.

Species ( const Species &  s)

Copy constructor.

Definition at line 48 of file Species.cpp.

~Species ( )

Destructor.

Definition at line 32 of file Species.cpp.

References Species::delR().

Member Function Documentation

Species & operator= ( const Species &  s)

Assignment operator.

Definition at line 58 of file Species.cpp.

References Species::comp, Species::delR(), Species::elements, Species::highCoeffs, Species::id, Species::index, Species::lowCoeffs, Species::name, Species::nTempRegions, Species::phase, Species::thermoFormatType, Species::thigh, Species::tlow, Species::tmid, and Species::valid.

bool operator== ( const Species &  s) const

Test for equality based on name only.

Definition at line 88 of file Species.cpp.

References Species::name.

bool operator< ( const Species &  s) const

Used to sort lists of species by index number.

Definition at line 99 of file Species.cpp.

References Species::index.

void delR ( )
private

Delete private data.

Definition at line 37 of file Species.cpp.

Referenced by Species::operator=(), and Species::~Species().

Member Data Documentation

int thermoFormatType

Type of thermodynamic representation.

0 This is a 2 region NASA polynomial representation

1 This is a multiple temperature region NASA9 polynomial representation.

Definition at line 52 of file Species.h.

Referenced by ckr::cp(), ckr::enthalpy(), ckr::entropy(), ckr::gibbs(), Species::operator=(), CKParser::readNASA9ThermoRecord(), and ckr::writeSpeciesData().

std::string name

Species Name.

Definition at line 55 of file Species.h.

Referenced by ckr::checkThermo(), Species::operator=(), Species::operator==(), CKReader::read(), CKParser::readNASA9ThermoRecord(), CKParser::readNASA9ThermoSection(), CKParser::readSpeciesSection(), CKParser::readThermoRecord(), CKParser::readThermoSection(), and CKReader::validateSpecies().

std::string id

ID tag from 'date' field in input.

Definition at line 56 of file Species.h.

Referenced by Species::operator=(), CKParser::readNASA9ThermoRecord(), CKParser::readThermoRecord(), and ckr::writeSpeciesData().

std::string phase

Phase string. Usually "G", "L", or "S".

Definition at line 57 of file Species.h.

Referenced by Species::operator=(), CKParser::readNASA9ThermoRecord(), CKParser::readThermoRecord(), and ckr::writeSpeciesData().

double tlow

Min temperature for thermo data fit.

Definition at line 58 of file Species.h.

Referenced by ckr::checkThermo(), Species::operator=(), CKParser::readThermoRecord(), CKParser::readThermoSection(), and ckr::writeSpeciesData().

double tmid

Mid temperature for thermo data fit.

Definition at line 59 of file Species.h.

Referenced by ckr::checkThermo(), ckr::cp(), ckr::enthalpy(), ckr::entropy(), ckr::gibbs(), Species::operator=(), CKParser::readThermoRecord(), CKParser::readThermoSection(), and ckr::writeSpeciesData().

double thigh

Max temperature for thermo data fit.

Definition at line 60 of file Species.h.

Referenced by ckr::checkThermo(), Species::operator=(), CKParser::readThermoRecord(), CKParser::readThermoSection(), and ckr::writeSpeciesData().

std::vector<Constituent> elements

list of Constituent objects defining elemental composition

Definition at line 63 of file Species.h.

Referenced by ckr::addElement(), ckr::checkThermo(), Species::operator=(), and ckr::writeSpeciesData().

std::map<std::string, double> comp
mutable

map from element symbols to atom numbers

Definition at line 66 of file Species.h.

Referenced by ckr::addElement(), Species::operator=(), and CKReader::validateSpecies().

vector_fp lowCoeffs

polynomial coefficients for the lower temperature range

Definition at line 69 of file Species.h.

Referenced by ckr::cp(), ckr::enthalpy(), ckr::entropy(), ckr::gibbs(), Species::operator=(), CKParser::readThermoRecord(), and ckr::writeSpeciesData().

vector_fp highCoeffs

polynomial coefficients for the upper temperature range

Definition at line 72 of file Species.h.

Referenced by ckr::cp(), ckr::enthalpy(), ckr::entropy(), ckr::gibbs(), Species::operator=(), CKParser::readThermoRecord(), and ckr::writeSpeciesData().

int nTempRegions

Number of temperature regions.

Definition at line 75 of file Species.h.

Referenced by ckr::cp(), ckr::enthalpy(), ckr::entropy(), Species::operator=(), CKParser::readNASA9ThermoRecord(), and ckr::writeSpeciesData().

int valid

flag set by the validation routines

Definition at line 82 of file Species.h.

Referenced by ckr::checkThermo(), Species::operator=(), CKParser::readNASA9ThermoRecord(), CKParser::readThermoRecord(), and CKReader::validateSpecies().

int index

position in the list of species in the input file

Definition at line 85 of file Species.h.

Referenced by Species::operator<(), Species::operator=(), and CKParser::readSpeciesSection().

The documentation for this class was generated from the following files:
Generated by   doxygen 1.8.2