A container class for chemically-reacting solutions. More...

#include <Solution.h>

Inheritance diagram for Solution:

Detailed Description

A container class for chemically-reacting solutions.

The Solution class collects all objects needed to describe a chemically-reacting solution. Instances can be created to represent any type of solution – a mixture of gases, a liquid solution, or a solid solution, for example.

Solution objects only define a small number of methods of their own, and are provided so that a single object can be used to access thermodynamic, kinetic, and transport properties of a solution:

ThermoPhase manager; accessed via thermo()
Kinetics manager; accessed via kinetics()
Transport manager; accessed via transport()

The most common way to instantiate Solution objects is by using a phase definition, species and reactions defined in an input file:

shared_ptr<Solution> sol = newSolution("gri30.yaml", "gri30");

Cantera::newSolution

shared_ptr< Solution > newSolution(const string &infile, const string &name, const string &transport, const vector< shared_ptr< Solution > > &adjacent)

Create and initialize a new Solution manager from an input file.

Definition Solution.cpp:242

Definition at line 43 of file Solution.h.

Public Member Functions
	Solution (const Solution &)=delete

Solution &	operator= (const Solution &)=delete

shared_ptr< Solution >	clone (const vector< shared_ptr< Solution > > &adjacent={}, bool withKinetics=true, bool withTransport=true) const
	Create a new Solution object with cloned ThermoPhase, Kinetics, and Transport objects that use the same species definitions, thermodynamic parameters, and reactions as this one.

string	name () const
	Return the name of this Solution object.

void	setName (const string &name)
	Set the name of this Solution object.

virtual void	setThermo (shared_ptr< ThermoPhase > thermo)
	Set the ThermoPhase object.

virtual void	setKinetics (shared_ptr< Kinetics > kinetics)
	Set the Kinetics object.

virtual void	setTransport (shared_ptr< Transport > transport)
	Set the Transport object directly.

string	transportModel ()
	Retrieve transport model name.

void	setTransportModel (const string &model="default")
	Set the Transport object by name.

shared_ptr< ThermoPhase >	thermo ()
	Accessor for the ThermoPhase pointer.

shared_ptr< Kinetics >	kinetics ()
	Accessor for the Kinetics pointer.

shared_ptr< Transport >	transport ()
	Accessor for the Transport pointer.

void	addAdjacent (shared_ptr< Solution > adjacent)
	Add a phase adjacent to this phase.

shared_ptr< Solution >	adjacent (size_t i)
	Get the Solution object for an adjacent phase by index.

shared_ptr< Solution >	adjacent (const string &name)
	Get the Solution object for an adjacent phase by name.

size_t	nAdjacent () const
	Get the number of adjacent phases.

string	adjacentName (size_t i) const
	Get the name of an adjacent phase by index.

AnyMap	parameters (bool withInput=false) const

const AnyMap &	header () const
	Access input data associated with header definition.

AnyMap &	header ()

const string	source () const
	Retrieve source used for object creation; usually an input file name.

void	setSource (const string &source)
	Overwrite source (only required if object is not created using newSolution)

void	holdExternalHandle (const string &name, shared_ptr< ExternalHandle > handle)
	Store a handle to a wrapper for this Solution object from an external language interface (for example, a Python Solution object)

shared_ptr< ExternalHandle >	getExternalHandle (const string &name) const
	Get the handle for a wrapper for this Solution object from an external language interface.

void	registerChangedCallback (void *id, const function< void()> &callback)
	Register a function to be called if any of the Solution's thermo, kinetics, or transport objects is replaced.

void	removeChangedCallback (void *id)
	Remove the callback function associated with the specified object.

Static Public Member Functions
static shared_ptr< Solution >	create ()
	Create an empty Solution object.

Protected Attributes
shared_ptr< ThermoPhase >	m_thermo
	ThermoPhase manager.

shared_ptr< Kinetics >	m_kinetics
	Kinetics manager.

shared_ptr< Transport >	m_transport
	Transport manager.

vector< shared_ptr< Solution > >	m_adjacent
	Adjacent phases, for access by index.

map< string, shared_ptr< Solution > >	m_adjacentByName
	Adjacent phases, for access by name.

AnyMap	m_header
	Additional input fields; usually from a YAML input file.

map< string, shared_ptr< ExternalHandle > >	m_externalHandles
	Wrappers for this Solution object in extension languages, for evaluation of user-defined reaction rates.

map< void *, function< void()> >	m_changeCallbacks
	Callback functions that are invoked when the therm, kinetics, or transport members of the Solution are replaced.

Member Function Documentation

◆ create()

static shared_ptr< Solution > create ( )

inlinestatic

Create an empty Solution object.

Definition at line 54 of file Solution.h.

◆ clone()

shared_ptr< Solution > clone	(	const vector< shared_ptr< Solution > > &	adjacent = `{}`,
		bool	withKinetics = `true`,
		bool	withTransport = `true`
	)		const

Create a new Solution object with cloned ThermoPhase, Kinetics, and Transport objects that use the same species definitions, thermodynamic parameters, and reactions as this one.

Parameters

adjacent	For surface phases, an optional list of new adjacent phases to link to the InterfaceKinetics object. Any adjacent phases not provided will have their ThermoPhase model automatically cloned.
withKinetics	Flag indicating whether to clone the Kinetics object associated with this phase. If `false`, the cloned Solution will not include a kinetics manager.
withTransport	Flag indicating whether to clone the Transport object associated with this phase. If `false`, the cloned Solution will not include a transport property manager.

Since: New in Cantera 3.2.

Definition at line 25 of file Solution.cpp.

◆ name()

string name ( ) const

Return the name of this Solution object.

Definition at line 66 of file Solution.cpp.

◆ setName()

void setName ( const string & name )

Set the name of this Solution object.

Definition at line 75 of file Solution.cpp.

◆ setThermo()

void setThermo ( shared_ptr< ThermoPhase > thermo )

virtual

Set the ThermoPhase object.

Reimplemented in Interface.

Definition at line 84 of file Solution.cpp.

◆ setKinetics()

void setKinetics ( shared_ptr< Kinetics > kinetics )

virtual

Set the Kinetics object.

Reimplemented in Interface.

Definition at line 92 of file Solution.cpp.

◆ setTransport()

void setTransport ( shared_ptr< Transport > transport )

virtual

Set the Transport object directly.

Definition at line 114 of file Solution.cpp.

◆ transportModel()

string transportModel ( )

Retrieve transport model name.

Since: New in Cantera 3.2

Definition at line 105 of file Solution.cpp.

◆ setTransportModel()

void setTransportModel ( const string & model = "default" )

Set the Transport object by name.

Parameters

model name of transport model; if omitted, the default model is used

Since: New in Cantera 3.0

Definition at line 124 of file Solution.cpp.

◆ thermo()

shared_ptr< ThermoPhase > thermo ( )

inline

Accessor for the ThermoPhase pointer.

Definition at line 99 of file Solution.h.

◆ kinetics()

shared_ptr< Kinetics > kinetics ( )

inline

Accessor for the Kinetics pointer.

Definition at line 104 of file Solution.h.

◆ transport()

shared_ptr< Transport > transport ( )

inline

Accessor for the Transport pointer.

Definition at line 109 of file Solution.h.

◆ addAdjacent()

void addAdjacent ( shared_ptr< Solution > adjacent )

Add a phase adjacent to this phase.

Usually this means a higher-dimensional phase that participates in reactions in this phase.

Definition at line 135 of file Solution.cpp.

◆ adjacent() [1/2]

shared_ptr< Solution > adjacent ( size_t i )

inline

Get the Solution object for an adjacent phase by index.

Definition at line 118 of file Solution.h.

◆ adjacent() [2/2]

shared_ptr< Solution > adjacent ( const string & name )

Get the Solution object for an adjacent phase by name.

Definition at line 154 of file Solution.cpp.

◆ nAdjacent()

size_t nAdjacent ( ) const

inline

Get the number of adjacent phases.

Definition at line 126 of file Solution.h.

◆ adjacentName()

string adjacentName ( size_t i ) const

inline

Get the name of an adjacent phase by index.

Definition at line 131 of file Solution.h.

◆ parameters()

AnyMap parameters ( bool withInput = false ) const

Definition at line 164 of file Solution.cpp.

◆ header() [1/2]

const AnyMap & header ( ) const

Access input data associated with header definition.

Definition at line 197 of file Solution.cpp.

◆ header() [2/2]

AnyMap & header ( )

Definition at line 202 of file Solution.cpp.

◆ source()

const string source ( ) const

Retrieve source used for object creation; usually an input file name.

Definition at line 207 of file Solution.cpp.

◆ setSource()

void setSource ( const string & source )

Overwrite source (only required if object is not created using newSolution)

Definition at line 212 of file Solution.cpp.

◆ holdExternalHandle()

void holdExternalHandle	(	const string &	name,
		shared_ptr< ExternalHandle >	handle
	)

Store a handle to a wrapper for this Solution object from an external language interface (for example, a Python Solution object)

Definition at line 217 of file Solution.cpp.

◆ getExternalHandle()

shared_ptr< ExternalHandle > getExternalHandle ( const string & name ) const

Get the handle for a wrapper for this Solution object from an external language interface.

Returns a null pointer if the requested handle does not exist.

Definition at line 223 of file Solution.cpp.

◆ registerChangedCallback()

void registerChangedCallback	(	void *	id,
		const function< void()> &	callback
	)

Register a function to be called if any of the Solution's thermo, kinetics, or transport objects is replaced.

Parameters

id	A unique ID corresponding to the object affected by the callback. Typically, this is a pointer to an object that also holds a reference to the Solution object.
callback	The callback function to be called after any component of the Solution is replaced. When the callback becomes invalid (for example, the corresponding object is being deleted, the removeChangedCallback() method must be invoked.

Since: New in Cantera 3.0

Definition at line 232 of file Solution.cpp.

◆ removeChangedCallback()

void removeChangedCallback ( void * id )

Remove the callback function associated with the specified object.

Since: New in Cantera 3.0

Definition at line 237 of file Solution.cpp.

Member Data Documentation

◆ m_thermo

shared_ptr<ThermoPhase> m_thermo

protected

ThermoPhase manager.

Definition at line 177 of file Solution.h.

◆ m_kinetics

shared_ptr<Kinetics> m_kinetics

protected

Kinetics manager.

Definition at line 178 of file Solution.h.

◆ m_transport

shared_ptr<Transport> m_transport

protected

Transport manager.

Definition at line 179 of file Solution.h.

◆ m_adjacent

vector<shared_ptr<Solution> > m_adjacent

protected

Adjacent phases, for access by index.

Definition at line 182 of file Solution.h.

◆ m_adjacentByName

map<string, shared_ptr<Solution> > m_adjacentByName

protected

Adjacent phases, for access by name.

Definition at line 185 of file Solution.h.

◆ m_header

AnyMap m_header

protected

Additional input fields; usually from a YAML input file.

Definition at line 187 of file Solution.h.

◆ m_externalHandles

map<string, shared_ptr<ExternalHandle> > m_externalHandles

protected

Wrappers for this Solution object in extension languages, for evaluation of user-defined reaction rates.

Definition at line 191 of file Solution.h.

◆ m_changeCallbacks

map<void*, function<void()> > m_changeCallbacks

protected

Callback functions that are invoked when the therm, kinetics, or transport members of the Solution are replaced.

Definition at line 195 of file Solution.h.

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

Detailed Description

Public Member Functions

Static Public Member Functions

Protected Attributes

Member Function Documentation

◆ create()

◆ clone()

◆ name()

◆ setName()

◆ setThermo()

◆ setKinetics()

◆ setTransport()

◆ transportModel()

◆ setTransportModel()

◆ thermo()

◆ kinetics()

◆ transport()

◆ addAdjacent()

◆ adjacent() [1/2]

◆ adjacent() [2/2]

◆ nAdjacent()

◆ adjacentName()

◆ parameters()

◆ header() [1/2]

◆ header() [2/2]

◆ source()

◆ setSource()

◆ holdExternalHandle()

◆ getExternalHandle()

◆ registerChangedCallback()

◆ removeChangedCallback()

Member Data Documentation

◆ m_thermo

◆ m_kinetics

◆ m_transport

◆ m_adjacent

◆ m_adjacentByName

◆ m_header

◆ m_externalHandles

◆ m_changeCallbacks