CChemEq Class Reference

#include <CChemEq.h>

Inheritance diagram for CChemEq:

List of all members.

Public Types
enum	MetaboliteRole { PRODUCT = 0, SUBSTRATE, MODIFIER, NOROLE }
Public Member Functions
	CChemEq (const std::string &name="NoName", const CCopasiContainer *pParent=NULL)
	CChemEq (const CChemEq &src, const CCopasiContainer *pParent=NULL)
	~CChemEq ()
void	cleanup ()
void	setReversibility (const bool &reversible)
const bool &	getReversibility () const
bool	addMetabolite (const std::string &key, const C_FLOAT64 multiplicity, const MetaboliteRole &role)
const CCopasiVector < CChemEqElement > &	getSubstrates () const
const CCopasiVector < CChemEqElement > &	getProducts () const
const CCopasiVector < CChemEqElement > &	getModifiers () const
const CCopasiVector < CChemEqElement > &	getBalances () const
unsigned C_INT32	getCompartmentNumber () const
const CCompartment &	getLargestCompartment () const
C_INT32	getMolecularity (const MetaboliteRole role) const
Friends
std::ostream &	operator<< (std::ostream &os, const CChemEq &d)

---

Member Enumeration Documentation

enum CChemEq::MetaboliteRole

Enumerator:

PRODUCT
SUBSTRATE
MODIFIER
NOROLE

---

Constructor & Destructor Documentation

CChemEq::CChemEq	(	const std::string &	name = "NoName",
		const CCopasiContainer *	pParent = NULL
	)

Default constructor

Parameters:

const	std::string & name (default: "NoName")
const	CCopasiContainer * pParent (default: NULL)

CChemEq::CChemEq	(	const CChemEq &	src,
		const CCopasiContainer *	pParent = NULL
	)

Copy constructor

Parameters:

const CChemEq &	src
const	CCopasiContainer * pParent (default: NULL)

CChemEq::~CChemEq

(

)

Destructor

---

Member Function Documentation

bool CChemEq::addMetabolite	(	const std::string &	key,
		const C_FLOAT64	multiplicity,
		const MetaboliteRole &	role
	)

Add a species to the equation

Parameters:

const	std::string & speciesKey
const	C_FLOAT64 & multiplicity
const	MetaboliteRole & role

Returns:

bool success

void CChemEq::cleanup

(

)

Cleanup

const CCopasiVector< CChemEqElement > & CChemEq::getBalances

(

)

const

Retrieves the vector of metabolites and their total balance in the chemical reaction.

Returns:

"vector < CChemEqElement * > &" balances

unsigned C_INT32 CChemEq::getCompartmentNumber

(

)

const

Returns the number of compartments the chemical equation is associated with.

const CCompartment & CChemEq::getLargestCompartment

(

)

const

Retrieve the largest compartment that the reaction touches.

Returns:

const CCompartment & compartment

const CCopasiVector< CChemEqElement > & CChemEq::getModifiers

(

)

const

Retrieves the vector of Modifiers and their multiplicity

C_INT32 CChemEq::getMolecularity

(

const MetaboliteRole

role

)

const

Checks if it is possible to figure out a compartment from the information in the chemical equation. If there are substrates and if all the substrates are in the same compartment this compartment will be returned. If there are no substrates and there are Products and all Products are in the same compartment this compartment will be returned, else an exception will be thrown. This returns the sum of the multiplicities

const CCopasiVector< CChemEqElement > & CChemEq::getProducts

(

)

const

Retrieves the vector of products and their multiplicity in the chemical reaction.

Returns:

"vector < CChemEqElement * > &" products

const bool& CChemEq::getReversibility

(

)

const [inline]

Retrieve the reversibility of the equation

Returns:

const bool & reversible

const CCopasiVector< CChemEqElement > & CChemEq::getSubstrates

(

)

const

Retrieves the vector of substrates and their multiplicity in the chemical reaction.

Returns:

"vector < CChemEqElement * > &" substrates

void CChemEq::setReversibility

(

const bool &

reversible

)

[inline]

Set the reversibility of the of the equation

Parameters:

const

bool & const bool & reversible

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Friends And Related Function Documentation

std::ostream& operator<<	(	std::ostream &	os,
		const CChemEq &	d
	)		[friend]

Friend declaration for ostream operator

Parameters:

std::ostream	& os
const	CChemEq & d

Returns:

std::ostream & os

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

• copasi/model/CChemEq.h
• copasi/model/CChemEq.cpp