The species object which represents the products and reactants in the reaction. More...

#include <Species.h>

Inheritance diagram for prism::Species:

Public Member Functions
	Species (const std::string &name, const bool marked_constant=false)
	Constructor for the species based on its symbolic representation.

SpeciesId	id () const
	getter for the unique id for the species

bool	markedConstant () const

bool	isConstant () const

bool	operator== (const Species &other) const
	Comparison operator checks if the sub species have the same member variables.

bool	operator!= (const Species &other) const
	Comparison for checking whether or not the two are not equal.

const std::vector< std::shared_ptr< const Reaction > >	rateBasedReactions () const
	Getter methods for the reactions of specific types this species is either a product or reactant of Warning there are expensive calls and you should use the equivelant method for getting the reaction data and then index into the vectors provided by NetworkParser::rateBasedReaction() or NetworkParser::xsecBasedReactions.

const std::vector< std::shared_ptr< const Reaction > >	xsecBasedReactions () const
	Getter methods for the reactions of specific types this species is either a product or reactant of Warning there are expensive calls and you should use the equivelant method for getting the reaction data and then index into the vectors provided by NetworkParser::rateBasedReaction() or NetworkParser::xsecBasedReactions.

const std::vector< std::shared_ptr< const Reaction > >	tabulatedRateBasedReactions () const
	Getter methods for the reactions of specific types this species is either a product or reactant of Warning there are expensive calls and you should use the equivelant method for getting the reaction data and then index into the vectors provided by NetworkParser::rateBasedReaction() or NetworkParser::xsecBasedReactions.

const std::vector< std::shared_ptr< const Reaction > >	functionRateBasedReactions () const
	Getter methods for the reactions of specific types this species is either a product or reactant of Warning there are expensive calls and you should use the equivelant method for getting the reaction data and then index into the vectors provided by NetworkParser::rateBasedReaction() or NetworkParser::xsecBasedReactions.

const std::vector< std::shared_ptr< const Reaction > >	tabulatedXSecBasedReactions () const
	Getter methods for the reactions of specific types this species is either a product or reactant of Warning there are expensive calls and you should use the equivelant method for getting the reaction data and then index into the vectors provided by NetworkParser::rateBasedReaction() or NetworkParser::xsecBasedReactions.

const std::vector< std::shared_ptr< const Reaction > >	functionXSecBasedReactions () const
	Getter methods for the reactions of specific types this species is either a product or reactant of Warning there are expensive calls and you should use the equivelant method for getting the reaction data and then index into the vectors provided by NetworkParser::rateBasedReaction() or NetworkParser::xsecBasedReactions.

const std::vector< ReactionData > &	rateBasedReactionData () const
	Getter methods for the reaction data of specific types this species.

const std::vector< ReactionData > &	tabulatedRateBasedReactionData () const
	Getter methods for the reaction data of specific types this species.

const std::vector< ReactionData > &	functionRateBasedReactionData () const
	Getter methods for the reaction data of specific types this species.

const std::vector< ReactionData > &	xsecBasedReactionData () const
	Getter methods for the reaction data of specific types this species.

const std::vector< ReactionData > &	tabulatedXSecBasedReactionData () const
	Getter methods for the reaction data of specific types this species.

const std::vector< ReactionData > &	functionXSecBasedReactionData () const
	Getter methods for the reaction data of specific types this species.

const std::vector< ReactionData > &	unbalancedRateBasedReactionData () const
	Getter methods for the reaction data of specific types this species getting the unbalanced data only returns data for reactions in which this species has a non-zero stoichiometric coefficient.

const std::vector< ReactionData > &	unbalancedTabulatedRateBasedReactionData () const
	Getter methods for the reaction data of specific types this species.

const std::vector< ReactionData > &	unbalancedFunctionRateBasedReactionData () const
	Getter methods for the reaction data of specific types this species.

const std::vector< ReactionData > &	unbalancedXSecBasedReactionData () const
	Getter methods for the reaction data of specific types this species getting the unbalanced data only returns data for reactions in which this species has a non-zero stoichiometric coefficient.

const std::vector< ReactionData > &	unbalancedTabulatedXSecBasedReactionData () const
	Getter methods for the reaction data of specific types this species getting the unbalanced data only returns data for reactions in which this species has a non-zero stoichiometric coefficient.

const std::vector< ReactionData > &	unbalancedFunctionXSecBasedReactionData () const
	Getter methods for the reaction data of specific types this species getting the unbalanced data only returns data for reactions in which this species has a non-zero stoichiometric coefficient.

const std::vector< SubSpecies > &	subSpecies () const
	Getter method for the subspecies list.

virtual std::string	to_string () const override

bool	operator== (const SpeciesBase &other) const
	Comparison operator checks if the two base species have the same name.

bool	operator!= (const SpeciesBase &other) const
	Comparison for checking whether or not the two are not equal.

const std::string &	name () const
	Getter method for the name of species.

double	mass () const
	Getter method for the mass of the species mass of the species is in kg.

double	molarMass () const
	Getter method for the molar mass of the species molar mass is in g / mol.

int	chargeNumber () const
	Getter method for the charge number of the species.

double	charge () const
	Getter method for the charge of the species.

const std::string &	latexRepresentation () const
	Getter method for the latex name of the species.

const std::string &	neutralGroundState () const
	Gets the ground neutral state of the subspecies Ex: H3* -> H3.

Protected Member Functions
std::string	checkName (const std::string &name)
	Method checks to make sure that the name is not an empty std::string also checks to make sure e and E are reserved for electrons only.

Protected Attributes
std::string	_name
	The full std::string of the species base.

double	_mass
	The mass of an individual instance of the species.

double	_molar_mass
	the molar mass of the species

double	_charge
	the charge of the spcies in coulomb

int	_charge_num
	The level of charge ex: Ar-4 this is -4.

std::string	_latex_name
	The name of the spcies formatted for printing in a latex_table.

std::string	_neutral_ground_state
	the neutral ground state for a species ex: Ar2* -> Ar2

Friends
class	SpeciesFactory
	The species factory helps add reactionts to our lists.

std::string	to_string (const std::shared_ptr< prism::Species > &s)

std::string	to_string (const std::shared_ptr< const prism::Species > &s)

std::ostream &	operator<< (std::ostream &os, const std::shared_ptr< prism::Species > &s)

std::ostream &	operator<< (std::ostream &os, const std::shared_ptr< const prism::Species > &s)

Detailed Description

The species object which represents the products and reactants in the reaction.

Constructor & Destructor Documentation

◆ Species()

prism::Species::Species	(	const std::string &	name,
		const bool	marked_constant = false )

Constructor for the species based on its symbolic representation.

Parameters

name	the symbol used for the species

Member Function Documentation

◆ checkName()

string prism::SpeciesBase::checkName ( const std::string & name )

protectedinherited

Method checks to make sure that the name is not an empty std::string also checks to make sure e and E are reserved for electrons only.

Parameters

name	the std::string representation of the name

◆ functionRateBasedReactionData()

const std::vector< ReactionData > & prism::Species::functionRateBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species.

Returns: a struct of type ReactionData for the reactions of the specific type

◆ functionXSecBasedReactionData()

const std::vector< ReactionData > & prism::Species::functionXSecBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species.

Returns: a struct of type ReactionData for the reactions of the specific type

◆ id()

SpeciesId prism::Species::id ( ) const

inline

getter for the unique id for the species

Returns: its position in the vector returned by NetworkParser::species()

◆ rateBasedReactionData()

const std::vector< ReactionData > & prism::Species::rateBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species.

Returns: a struct of type ReactionData for the reactions of the specific type

◆ tabulatedRateBasedReactionData()

const std::vector< ReactionData > & prism::Species::tabulatedRateBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species.

Returns: a struct of type ReactionData for the reactions of the specific type

◆ tabulatedXSecBasedReactionData()

const std::vector< ReactionData > & prism::Species::tabulatedXSecBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species.

Returns: a struct of type ReactionData for the reactions of the specific type

◆ to_string()

string prism::Species::to_string ( ) const

overridevirtual

Reimplemented from prism::SpeciesBase.

◆ unbalancedFunctionRateBasedReactionData()

const std::vector< ReactionData > & prism::Species::unbalancedFunctionRateBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species.

getting the unbalanced data only returns data for reactions in which this species has a non-zero stoichiometric coefficient
Returns
a struct of type ReactionData for the reactions of the specific type

◆ unbalancedFunctionXSecBasedReactionData()

const std::vector< ReactionData > & prism::Species::unbalancedFunctionXSecBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species getting the unbalanced data only returns data for reactions in which this species has a non-zero stoichiometric coefficient.

Returns: a struct of type ReactionData for the reactions of the specific type

◆ unbalancedRateBasedReactionData()

const std::vector< ReactionData > & prism::Species::unbalancedRateBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species getting the unbalanced data only returns data for reactions in which this species has a non-zero stoichiometric coefficient.

Returns: a struct of type ReactionData for the reactions of the specific type

◆ unbalancedTabulatedRateBasedReactionData()

const std::vector< ReactionData > & prism::Species::unbalancedTabulatedRateBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species.

getting the unbalanced data only returns data for reactions in which this species has a non-zero stoichiometric coefficient
Returns
a struct of type ReactionData for the reactions of the specific type

◆ unbalancedTabulatedXSecBasedReactionData()

const std::vector< ReactionData > & prism::Species::unbalancedTabulatedXSecBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species getting the unbalanced data only returns data for reactions in which this species has a non-zero stoichiometric coefficient.

Returns: a struct of type ReactionData for the reactions of the specific type

◆ unbalancedXSecBasedReactionData()

const std::vector< ReactionData > & prism::Species::unbalancedXSecBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species getting the unbalanced data only returns data for reactions in which this species has a non-zero stoichiometric coefficient.

Returns: a struct of type ReactionData for the reactions of the specific type

◆ xsecBasedReactionData()

const std::vector< ReactionData > & prism::Species::xsecBasedReactionData ( ) const

inline

Getter methods for the reaction data of specific types this species.

Returns: a struct of type ReactionData for the reactions of the specific type

The documentation for this class was generated from the following files:

/home/runner/work/prism/prism/include/prism/Species.h
/home/runner/work/prism/prism/src/Species.C

Public Member Functions

Protected Member Functions

Protected Attributes

Friends

Detailed Description

Constructor & Destructor Documentation

◆ Species()

Member Function Documentation

◆ checkName()

◆ functionRateBasedReactionData()

◆ functionXSecBasedReactionData()

◆ id()

◆ rateBasedReactionData()

◆ tabulatedRateBasedReactionData()

◆ tabulatedXSecBasedReactionData()

◆ to_string()

◆ unbalancedFunctionRateBasedReactionData()

◆ unbalancedFunctionXSecBasedReactionData()

◆ unbalancedRateBasedReactionData()

◆ unbalancedTabulatedRateBasedReactionData()

◆ unbalancedTabulatedXSecBasedReactionData()

◆ unbalancedXSecBasedReactionData()

◆ xsecBasedReactionData()