Model to represent a Reaction with specified fixed conversion. More...

#include <ReactionYield.h>

Inheritance diagram for ReactionYield:

Public Member Functions
	ReactionYield (Libpf::User::Defaults defaults, uint32_t id=0, Persistency persistency=nullptr, Persistent parent=nullptr, Persistent *root=nullptr)

virtual const std::string &	type (void) const

void	setup (void)
	performs initializations required immediately before solution More...

void	precalc (void)
	calculate actconv but not write in destination phase More...

void	bound (void)
	bound conversion More...

void	postcalc (void)
	update z or conv according to option and write into destination phase More...

void	calculate (int level=0)

void	estimate (const Quantity &K)
	useful for equilibrium reactions, estimates a mid-range conv to avoid exhaustion of any reactant/product More...

Public Member Functions inherited from Reaction
	Reaction (Libpf::User::Defaults defaults, uint32_t id=0, Persistency persistency=nullptr, Persistent parent=nullptr, Persistent *root=nullptr)

	~Reaction (void)

ObjectiveNleAd *	objectiveFunction (void)
	returns a pointer to the model's objective function More...

void	initializeNonPersistents (void)
	estimates hidden, non-persistent unknowns from the current results More...

void	setcoeff (int i, double val)

void	setcoeff (std::string n, double val)

const Value &	outflow (int i) const
	return outlet flow for component i More...

void	setout (PhaseM *out)
	set internal pointer to point at the destination stream's total phase More...

Value	actualRate (int i)
	return actual rate of reaction for component i More...

void	setVanishingHeterogeneousComponentReactant (void)

void	setVanishingHeterogeneousComponentProduct (void)

Category	category (void) const
	return model Category More...

Public Member Functions inherited from Model
	Model (Libpf::User::Defaults defaults, uint32_t id, Persistency persistency, Persistent parent, Persistent *root)

bool	isPristine (void) const

void	unSetInput (void)
	wipes out all tags marked as inputs More...

void	reportMessages (void)
	recursively collect status of all sub-objects and report to parent More...

void	resetErrors (void)

void	setWarning (std::string s)
	send new warning message to local queue More...

void	setError (std::string s)
	send new error message to local queue More...

void	reportWarning (std::string s)
	propagate warning message from sub-object to local queue More...

void	reportError (std::string s)
	propagate error message from sub-object to local queue More...

void	setCalculated (void)
	increments nCalculations counter and unsets pristinity More...

void	setPristineRecursive (void)
	force next calculation to restart as if the model had never been calculated during this runtime session, also for all contained objects More...

void	setPristine (void)
	force next calculation to restart as if the model had never been calculated during this runtime session More...

void	setRunTime (double t)
	set the run time More...

void	stash (void) const

void	applyStash (void)

void	clearStash (void) const
	clear the store cache More...

virtual int	maximumIterations (void)
	returns default maximum iterations for main computation; defaults to 200 More...

std::ostream &	print (std::ostream &os, bool strings, bool quantities, bool integers, bool recursive) const

std::ostream &	printFull (std::ostream &) const
	print the model quantities, including derivative info, in text format to os More...

void	printHtml (const char *dir) const

virtual void	printSvg (const char *fileName, bool tiny, bool raster, int offset)

void	printSvgAll (const char *dir, bool tiny, bool raster, int offset, std::vector< std::string > &list)
	Recursively output the model and all descendants in SVG format as separate id.SVG files in the directory dir. More...

virtual void	printXml (const char dir, Model precedingSibling, Model *followingSibling) const

void	printXmlToc (std::ofstream &toc, int indent) const

void	printOds (std::ofstream &ods) const

Public Member Functions inherited from Object
	Object (Libpf::User::Defaults defaults, uint32_t id=0, Persistency persistency=nullptr, Persistent parent=nullptr, Persistent *root=nullptr)

Libpf::User::Defaults	defaults (void) const

void	readVariables (Persistency *persistency)
	reads Q, QV and QM from persistency More...

void	readParameters (Persistency *persistency)
	reads I, IV, S and SV from persistency More...

Node &	operator= (const Node &)
	copy assignment operator More...

Node &	operator= (Node &&other)
	move assignment More...

	~Object (void)

const std::string &	type (void) const

Object &	at (const std::string &fullRelativeTag)

const Object &	at (const std::string &fullRelativeTag) const

Object &	at (const std::string &fullRelativeTag, int index)

const Value &	Q (const std::string &tag) const

const Value &	Q (const std::string &tag, int index) const

const Value &	Q (const std::string &tag, int row, int column) const

Value &	Q (const std::string &tag)

Value &	Q (const std::string &tag, int index)

Value &	Q (const std::string &tag, int row, int column)

const Value &	Q (const std::string &tag, std::string componentName) const

Value &	Q (const std::string &tag, std::string componentName)

const Value &	Q (const std::string &tag, int index, std::string componentName) const

Value &	Q (const std::string &tag, int index, std::string componentName)

const int &	I (const std::string &tag) const

const int &	I (const std::string &tag, int index) const

int &	I (const std::string &tag)

int &	I (const std::string &tag, int index)

const std::string &	S (const std::string &tag) const

const std::string &	S (const std::string &tag, int index) const

std::string &	S (const std::string &tag)

std::string &	S (const std::string &tag, int index)

bool	operator!= (const Object &rhs) const

bool	operator== (const Object &rhs) const

bool	compareParameters (const Object &rhs) const

bool	existsI (const std::string &tag) const

bool	existsS (const std::string &tag) const

bool	existsQ (const std::string &tag) const

const RangeQuantities	quantities (void)

const ConstRangeQuantities	quantities (void) const

Public Member Functions inherited from Node
	Node (Libpf::User::Defaults defaults, uint32_t id=0, Persistency persistency=nullptr, Persistent parent=nullptr, Persistent *root=nullptr)

	Node (const Node &other)
	copy constructor More...

	Node (Node &&other)
	move constructor More...

virtual std::unique_ptr< Node >	clone (void) const

	~Node ()

int	insert (Persistency *persistency) const

int	update (Persistency *persistency) const

void	restore (Persistency *persistency)

void	remove (Persistency *persistency) const

uint32_t	rootId (void) const

uint32_t	range (void) const

uint32_t	getId (void)
	returns the next available id and increments the internal counter More...

Node &	addChild (std::string type, uint32_t id, Persistency *persistency)

Node &	addChild (std::string type, Libpf::User::Defaults defaults)

Node &	addChild (const Node &child)

Node &	addChild (std::unique_ptr< Node > child)

std::unique_ptr< Node >	prune (const std::string &tag)

const Node &	child (const std::string &tag) const

Node &	at (const std::string &fullRelativeTag)

const Node &	at (const std::string &fullRelativeTag) const

uint32_t	descendants (void) const

Persistent *	root (void) const

void	renameChild (const std::string &oldName, const std::string &newName)

bool	existsChild (std::string tag) const

bool	exists (uint32_t id)

Node &	search (uint32_t id)

bool	operator!= (const Node &rhs) const

bool	operator== (const Node &rhs) const

bool	isRestored (void) const
	return whether the Node has just been retrieved from persistent storage More...

void	setIcon (std::string icon, double width, double height)

bool	hasIcon (void) const

std::string	iconName (bool raster) const

double	iconWidth (void) const

double	iconHeight (void) const

const Range	children (void)

const ConstRange	children (void) const

Public Member Functions inherited from Persistent
	Persistent (const std::string &tag, const std::string &description, Persistent *parent, uint32_t id)
	main constructor More...

	Persistent (const Persistent &)
	copy constructor More...

Persistent &	operator= (const Persistent &)
	copy assignment More...

	Persistent (Persistent &&other)
	move constructor More...

Persistent &	operator= (Persistent &&other)
	move assignment More...

	~Persistent (void)

uint32_t	id (void) const

std::string	uuid (void) const

uint32_t	parentId (void) const

double	created_at (void) const

double	updated_at (void) const

void	updated_at (double u) const

Public Member Functions inherited from Item
	Item (const Item &other)
	copy constructor copies all elements but parent which is set to nullptr More...

Item &	operator= (const Item &other)
	copy assignment operator copies all elements but parent which is set to nullptr More...

	Item (const std::string &tag, const std::string &description, Persistent *parent)

	Item (Item &&other)
	move constructor More...

Item &	operator= (Item &&other)
	move assignment operator More...

virtual	~Item (void)

const std::string &	tag (void) const

const std::string &	description (void) const

std::string	fullTag (void) const

const Persistent *	parent (void) const

void	setTag (const std::string &tag)

void	setDescription (const std::string &description)

void	setWideTag (const std::wstring &tag)
	wide-character variant, More...

void	setWideDescription (const std::wstring &description)
	wide-character variant, More...

bool	operator!= (const Item &rhs) const

bool	operator== (const Item &rhs) const

Public Member Functions inherited from Diagnostic
	Diagnostic (void)

void	setVerbosity (int verbosity)
	sets the verbosity level for this instance More...

int	verbosity (void) const

Public Attributes
String	option

bool	silent

Public Attributes inherited from Reaction
Quantity	conv
	Rate of Reaction mole-based or mass-based depending on UOM of ni. More...

Quantity	actconv
	Actual rate of Reaction mole-based or mass-based depending on UOM of ni. More...

Quantity	z
	Fractional conversion in terms of key component. More...

std::vector< Quantity >	coeff
	Vector of molar stoichiometric coefficients (indexed as the list of components) More...

std::vector< Quantity >	coeffm
	Vector of mass based stoichiometric coefficient (indexed as the list of components) More...

Integer	keycomp
	Key component. More...

Public Attributes inherited from Model
Integer	nCalculations
	number of times the model has been calculated More...

StringVector	errors
	errors from the last computation More...

StringVector	warnings
	warnings from the last computation More...

Static Public Attributes
static const std::string	type_

Additional Inherited Members
Protected Member Functions inherited from Reaction
void	init (void)
	initialize for mass based on molar calculation More...

Protected Member Functions inherited from Model
void	printSvgXlink (std::ostream &svg, const std::string &link, double width, double height)

void	addComponentVectorVariable (std::vector< Quantity > &variable, const std::string &tag, const std::string &description, Quantity::ValueType value)

template<typename T >
void	addSubObjects (int verbosityFile, Libpf::User::Defaults defaults, Persistency persistency, int count, const std::string &optionKey, const std::string &typeKey, const std::string &tagKey, const std::string &description, std::vector< T > &vector)

Protected Member Functions inherited from Object
int	retrieveInteger (const Libpf::User::Defaults &defaults, uint32_t id, Persistency *persistency, std::string tag, int min, int max, int def=-1)

std::string	retrieveString (const Libpf::User::Defaults &defaults, uint32_t id, Persistency *persistency, std::string tag, const std::string def)

template<class T >
void	addVariable (T &variable)

template<class T >
void	addVectorVariable (std::vector< T > &variable, const std::string &tag, const std::string &description, uint32_t size, typename T::ValueType value)

	Object (const Object &other)
	copy constructor More...

	Object (Object &&other)
	move constructor More...

Object &	operator= (const Object &)
	copy assignment operator More...

Object &	operator= (Object &&other)
	move assignment operator More...

Protected Member Functions inherited from Node
int	offset (void) const

Protected Attributes inherited from Reaction
std::vector< Quantity > *	my_coeffp

Value *	ni

PhaseM *	out_

int	vanishingHeterogeneousComponent_

Protected Attributes inherited from Object
std::map< std::string, Integer * >	integers_
	collection of integer variables More...

std::map< std::string, IntegerVector * >	integerVectors_
	collection of integer variable vectors More...

std::map< std::string, Quantity * >	quantities_
	collection of real variables More...

std::map< std::string, QuantityVector * >	quantityVectors_
	collection of real variable vectors More...

std::map< std::string, QuantityMatrix * >	quantityMatrices_
	collection of real variable matrices More...

std::map< std::string, String * >	strings_
	collection of string variables More...

std::map< std::string, StringVector * >	stringVectors_
	collection of string variable vectors More...

Protected Attributes inherited from Node
std::map< std::string, std::unique_ptr< Node > >	children_
	the collection of direct descendants More...

Protected Attributes inherited from Item
Persistent *	parent_
	pointer to the parent Persistent; set to this by the constructor if Item is self-standing or a root Persistent of a tree More...

Protected Attributes inherited from Diagnostic
int	verbosityInstance

Static Protected Attributes inherited from Reaction
static const std::string	type_

Detailed Description

Model to represent a Reaction with specified fixed conversion.

#include <libpf/units/ReactionYield.h>

Remarks

Warning: Requires the list of components to be populated before the construction; Thread safe:; Extendable:; Platform dependencies:

Constructor & Destructor Documentation

ReactionYield::ReactionYield	(	Libpf::User::Defaults	defaults,
		uint32_t	id = `0`,
		Persistency *	persistency = `nullptr`,
		Persistent *	parent = `nullptr`,
		Persistent *	root = `nullptr`
	)

Default constructor Supported options:

z Fractional conversion in terms of key component is fixed by user
conv Rate of Reaction is fixed by user

Member Function Documentation

void ReactionYield::bound ( void )

virtual

bound conversion

Implements Reaction.

void ReactionYield::calculate ( int level = 0 )

virtual

calculates the model; implementations must call setCalculated

Parameters

level used for indenting, defaults to 0

Implements Model.

void ReactionYield::estimate ( const Quantity & K )

useful for equilibrium reactions, estimates a mid-range conv to avoid exhaustion of any reactant/product

void ReactionYield::postcalc ( void )

virtual

update z or conv according to option and write into destination phase

Implements Reaction.

void ReactionYield::precalc ( void )

virtual

calculate actconv but not write in destination phase

Implements Reaction.

void ReactionYield::setup ( void )

inlinevirtual

performs initializations required immediately before solution

Implements Model.

virtual const std::string& ReactionYield::type ( void ) const

inlinevirtual

Returns: the C++ name of the class the instance belongs to

Note: it is the responsibility of the caller to not access this reference after the lifecycle of the Item

Reimplemented from Reaction.

Reimplemented in ReactionOxidationNaphthalene, ReactionOxidationPhenol, ReactionOxidationC2H4, ReactionOxidationNH3, ReactionOxidationC2H6, ReactionOxidationEquilibriumN2, ReactionOxidationN2, ReactionSynthesisEquilibriumNH3, ReactionSynthesisNH3, ReactionReformingEquilibriumMeOH, ReactionReformingMeOH, ReactionOxidationMeOH, ReactionReformingEquilibriumC3H8, ReactionReformingC3H8, ReactionReformingEquilibriumC2H6, ReactionReformingC2H6, ReactionReformingEquilibriumCH4, ReactionReformingCH4, ReactionOxidationH2, ReactionWaterGasC, ReactionOxidationC, ReactionOxidationCO, ReactionOxidationEquilibriumCH4, ReactionOxidationCH4, ReactionWaterGasShiftEquilibrium, ReactionWaterGasShift, and ReactionEquilibrium.

Member Data Documentation

String ReactionYield::option

Calculation option:

z Fractional conversion in terms of key component is fixed by user
conv Rate of Reaction is fixed by user

bool ReactionYield::silent

const std::string ReactionYield::type_

static

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

ReactionYield.h

Public Member Functions

Public Attributes

Static Public Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation