Contains data about a single chemical species. More...

#include <Species.h>

Collaboration diagram for Species:

Public Member Functions
	Species (const std::string &name, const compositionMap &comp, double charge=0.0, double size=1.0)
	Constructor. More...

	Species (const Species &)=delete
	Species objects are not copyable or assignable. More...

Species &	operator= (const Species &other)=delete

AnyMap	parameters (const ThermoPhase *phase=0, bool withInput=true) const

Public Attributes
std::string	name
	The name of the species. More...

compositionMap	composition
	The elemental composition of the species. More...

double	charge
	The electrical charge on the species, in units of the elementary charge. More...

double	size
	The effective size of the species. More...

shared_ptr< TransportData >	transport

shared_ptr< SpeciesThermoInterpType >	thermo
	Thermodynamic data for the species. More...

AnyMap	input
	Input parameters used to define a species, for example from a YAML input file. More...

Detailed Description

Contains data about a single chemical species.

This class stores the data about a species which may be needed to add it to a ThermoPhase or Transport object.

Definition at line 25 of file Species.h.

Constructor & Destructor Documentation

◆ Species() [1/3]

Species ( )

Definition at line 19 of file Species.cpp.

◆ Species() [2/3]

Species	(	const std::string &	name,
		const compositionMap &	comp,
		double	charge = `0.0`,
		double	size = `1.0`
	)

Constructor.

Definition at line 25 of file Species.cpp.

◆ Species() [3/3]

Species ( const Species & )

delete

Species objects are not copyable or assignable.

◆ ~Species()

~Species ( )

Definition at line 34 of file Species.cpp.

Member Function Documentation

◆ parameters()

AnyMap parameters	(	const ThermoPhase *	phase = `0`,
		bool	withInput = `true`
	)		const

Definition at line 38 of file Species.cpp.

Member Data Documentation

◆ name

std::string name

The name of the species.

Definition at line 42 of file Species.h.

Referenced by VPStandardStateTP::installPDSS(), and GasTransportData::validate().

◆ composition

compositionMap composition

The elemental composition of the species.

Keys are element names; values are the corresponding atomicities.

Definition at line 46 of file Species.h.

Referenced by GasTransportData::validate().

◆ charge

double charge

The electrical charge on the species, in units of the elementary charge.

Definition at line 49 of file Species.h.

◆ size

double size

The effective size of the species.

Currently used only for surface species, where it represents the number of sites occupied.

Definition at line 53 of file Species.h.

◆ transport

shared_ptr<TransportData> transport

Definition at line 55 of file Species.h.

◆ thermo

shared_ptr<SpeciesThermoInterpType> thermo

Thermodynamic data for the species.

Definition at line 58 of file Species.h.

Referenced by VPStandardStateTP::installPDSS().

◆ input

AnyMap input

Input parameters used to define a species, for example from a YAML input file.

Definition at line 61 of file Species.h.

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

Public Member Functions

Public Attributes