#include <COptProblem.h>

Inheritance diagram for COptProblem:

Public Member Functions
	COptProblem (const CCopasiTask::Type &type=CCopasiTask::optimization, const CCopasiContainer *pParent=NULL)
	COptProblem (const COptProblem &src, const CCopasiContainer *pParent=NULL)
virtual	~COptProblem ()
virtual bool	elevateChildren ()
virtual bool	setModel (CModel *pModel)
virtual bool	setCallBack (CProcessReport *pCallBack)
virtual bool	initialize ()
virtual bool	initializeSubtaskBeforeOutput ()
virtual bool	calculate ()
virtual bool	restore (const bool &updateModel)
virtual bool	checkParametricConstraints ()
virtual bool	checkFunctionalConstraints ()
virtual bool	calculateStatistics (const C_FLOAT64 &factor=1.0e-003, const C_FLOAT64 &resolution=1.0e-009)
unsigned C_INT32	getVariableSize () const
const std::vector< COptItem * > &	getOptItemList () const
const std::vector< COptItem * > &	getConstraintList () const
const std::vector < UpdateMethod * > &	getCalculateVariableUpdateMethods () const
const C_FLOAT64 &	getCalculateValue () const
const CVector< C_FLOAT64 > &	getSolutionVariables () const
const CVector< C_FLOAT64 > &	getVariableGradients () const
virtual bool	setSolution (const C_FLOAT64 &value, const CVector< C_FLOAT64 > &variables)
const C_FLOAT64 &	getSolutionValue () const
COptItem &	getOptItem (const unsigned C_INT32 &index)
unsigned C_INT32	getOptItemSize () const
COptItem &	addOptItem (const CCopasiObjectName &objectCN)
bool	removeOptItem (const unsigned C_INT32 &index)
bool	swapOptItem (const unsigned C_INT32 &iFrom, const unsigned C_INT32 &iTo)
bool	setObjectiveFunction (const std::string &infix)
const std::string	getObjectiveFunction ()
bool	setSubtaskType (const CCopasiTask::Type &subtaskType)
CCopasiTask::Type	getSubtaskType () const
void	setMaximize (const bool &maximize)
const bool &	maximize () const
const unsigned C_INT32 &	getFunctionEvaluations () const
const C_FLOAT64 &	getExecutionTime () const
virtual void	print (std::ostream *ostream) const
virtual void	printResult (std::ostream *ostream) const
Protected Attributes
C_FLOAT64	mInfinity
std::string *	mpParmSubtaskCN
std::string *	mpParmObjectiveExpression
bool *	mpParmMaximize
CCopasiParameterGroup *	mpGrpItems
CCopasiParameterGroup *	mpGrpConstraints
std::vector< COptItem * > *	mpOptItems
std::vector< COptItem * > *	mpConstraintItems
CCopasiTask *	mpSubtask
CExpression *	mpObjectiveExpression
std::vector< UpdateMethod * >	mUpdateMethods
std::vector< Refresh * >	mInitialRefreshMethods
std::vector< Refresh * >	mRefreshMethods
std::vector< Refresh * >	mRefreshConstraints
C_FLOAT64	mCalculateValue
CVector< C_FLOAT64 >	mSolutionVariables
CVector< C_FLOAT64 >	mOriginalVariables
C_FLOAT64	mSolutionValue
unsigned C_INT32	mCounter
unsigned C_INT32	mFailedCounter
unsigned C_INT32	mConstraintCounter
unsigned C_INT32	mFailedConstraintCounter
CCopasiTimer	mCPUTime
unsigned C_INT32	mhSolutionValue
unsigned C_INT32	mhCounter
bool	mStoreResults
bool	mHaveStatistics
CVector< C_FLOAT64 >	mGradient
Friends
std::ostream &	operator<< (std::ostream &os, const COptProblem &o)

Detailed Description

:pos -4.4,4.15

Constructor & Destructor Documentation

COptProblem::COptProblem	(	const CCopasiTask::Type &	type = `CCopasiTask::optimization`,
		const CCopasiContainer *	pParent = `NULL`
	)

Default constructor

Parameters:

const	CCopasiTask::Type & type (default: optimization)
const	CCopasiContainer * pParent (default: NULL)

File name: COptProblem.cpp

Programmer: Yongqun He Contact email: yohe@vt.edu Purpose: This is the source file of the COptProblem class. It specifies the optimization problem with its own members and functions. It's used by COptAlgorithm class and COptimization class

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

Copy constructor.

Parameters:

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

COptProblem::~COptProblem ( ) [virtual]

Destructor

Member Function Documentation

COptItem & COptProblem::addOptItem ( const CCopasiObjectName & objectCN )

Add an optimization item to the problem.

Parameters:

const CCopasiObjectName & objectCN

Returns:: COptItem optItemAdded

bool COptProblem::calculate ( void ) [virtual]

Do the calculating based on CalculateVariables and fill CalculateResults with the results.

Returns:: bool continue

calculate() decides whether the problem is a steady state problem or a trajectory problem based on whether the pointer to that type of problem is null or not. It then calls the process() method for that type of problem. Currently process takes ofstream& as a parameter but it will change so that process() takes no parameters.

Reimplemented in CFitProblem.

bool COptProblem::calculateStatistics	(	const C_FLOAT64 &	factor = `1.0e-003`,
		const C_FLOAT64 &	resolution = `1.0e-009`
	)		`[virtual]`

Calculate the statistics for the problem

Parameters:

const	C_FLOAT64 & factor (Default: 1.0e-003)
const	C_FLOAT64 & resolution (Default: 1.0e-009)

Reimplemented in CFitProblem.

bool COptProblem::checkFunctionalConstraints ( ) [virtual]

Check whether all functional constraints are fulfilled.

Returns:: bool fulfilled

Reimplemented in CFitProblem.

bool COptProblem::checkParametricConstraints ( ) [virtual]

Check whether all parameters are within their boundaries.

Returns:: bool within

bool COptProblem::elevateChildren ( ) [virtual]

This methods must be called to elevate subgroups to derived objects. The default implementation does nothing.

Returns:: bool success

Reimplemented from CCopasiParameterGroup.

Reimplemented in CFitProblem.

const C_FLOAT64 & COptProblem::getCalculateValue ( ) const

Retrieve the result of a calculation

const std::vector< UpdateMethod * > & COptProblem::getCalculateVariableUpdateMethods ( ) const

Retrieve the update methods for the variables for calculation.

Returns:: const std::vector< UpdateMethod * > & updateMethods

const std::vector< COptItem * > & COptProblem::getConstraintList ( ) const

Retrieve the list of constraints.

Returns:: const std::vector< COptItem * > & constraintList

const C_FLOAT64 & COptProblem::getExecutionTime ( ) const

Retrieve the objective function.

Returns:: const C_FLOAT64 & executionTime

const unsigned C_INT32 & COptProblem::getFunctionEvaluations ( ) const

Retrieve the objective function.

Returns:: const unsigned C_INT32 & functionEvaluations

const std::string COptProblem::getObjectiveFunction ( )

Retrieve the objective function.

Returns:: const std::string infix.

COptItem & COptProblem::getOptItem ( const unsigned C_INT32 & index )

Retrieve the 'index' optimization item.

Parameters:

const unsigned C_INT32 & index

Returns:: COptItem optItem

const std::vector< COptItem * > & COptProblem::getOptItemList ( ) const

Retrieve the list of optimization parameters.

Returns:: const std::vector< COptItem * > & optItemList

unsigned C_INT32 COptProblem::getOptItemSize ( ) const

Retrieve the number of optimization items.

Returns:: const unsigned C_INT32 size

const C_FLOAT64 & COptProblem::getSolutionValue ( ) const

Retrieve the result for the solution

const CVector< C_FLOAT64 > & COptProblem::getSolutionVariables ( ) const

Retrieve the solution variables

CCopasiTask::Type COptProblem::getSubtaskType ( ) const

Retrieve the subtask type

Returns:: CCopasiTask::Type subtaskType

const CVector< C_FLOAT64 > & COptProblem::getVariableGradients ( ) const

Retrieve the gradients for each solution variable.

Returns:: const CVector< C_FLOAT64 > & variableGradients

unsigned C_INT32 COptProblem::getVariableSize ( ) const

Retrieve the size of the variable vectors.

Returns:: unsigned C_INT32 VariableSize

bool COptProblem::initialize ( ) [virtual]

Do all necessary initialization so that calls to calculate will be successful. This is called once from CCopasiTask::process()

Returns:: bool success

Reimplemented from CCopasiProblem.

Reimplemented in CFitProblem.

bool COptProblem::initializeSubtaskBeforeOutput ( ) [virtual]

perform at least the initializations of the subtask that must be done before the output is initialized.

const bool & COptProblem::maximize ( ) const

Check whether we have to maximize

Returns:: const bool & maximize

void COptProblem::print ( std::ostream * ostream ) const [virtual]

This is the output method for any object. The default implementation provided with CCopasiObject uses the ostream operator<< of the object to print the object.To override this default behavior one needs to reimplement the virtual print function.

Parameters:

std::ostream * ostream

Reimplemented from CCopasiProblem.

Reimplemented in CFitProblem.

void COptProblem::printResult ( std::ostream * ostream ) const [virtual]

This is the output method for any result of a problem. The default implementation provided with CCopasiProblem. Does only print "Not implemented." To override this default behavior one needs to reimplement the virtual printResult function.

Parameters:

std::ostream * ostream

Reimplemented from CCopasiProblem.

Reimplemented in CFitProblem.

bool COptProblem::removeOptItem ( const unsigned C_INT32 & index )

Remove an optimization items.

Parameters:

const unsigned C_INT32 & index

Returns:: bool success

bool COptProblem::restore ( const bool & updateModel ) [virtual]

Do all necessary restore procedures so that the model is in the same state as before

Parameters:

const bool & updateModel

Returns:: bool success

Reimplemented from CCopasiProblem.

Reimplemented in CFitProblem.

bool COptProblem::setCallBack ( CProcessReport * pCallBack ) [virtual]

Set the call back of the problem

Parameters:

CProcessReport * pCallBack

Returns:: bool success

Reimplemented from CCopasiProblem.

Reimplemented in CFitProblem.

void COptProblem::setMaximize ( const bool & maximize )

Set whether we have to maximize the objective function

Parameters:

const bool & maximize

bool COptProblem::setModel ( CModel * pModel ) [virtual]

Set the model of the problem

Parameters:

CModel * pModel

Returns:: bool success

Reimplemented from CCopasiProblem.

Reimplemented in CFitProblem.

bool COptProblem::setObjectiveFunction ( const std::string & infix )

Set optimization function

Parameters:

const std::string & infix

Returns:: bool success

bool COptProblem::setSolution	(	const C_FLOAT64 &	value,
		const CVector< C_FLOAT64 > &	variables
	)		`[virtual]`

Set the solution.

Parameters:

const	C_FLOAT64 & value
const	CVector< C_FLOAT64 > & variables

Returns:: bool continue;

bool COptProblem::setSubtaskType ( const CCopasiTask::Type & subtaskType )

Set subtask type

Parameters:

const CCopasiTask::Type & subtaskType

Returns:: success

bool COptProblem::swapOptItem	(	const unsigned C_INT32 &	iFrom,
		const unsigned C_INT32 &	iTo
	)

Swap two optimization items.

Parameters:

const	unsigned C_INT32 & iFrom
const	unsigned C_INT32 & iTo

Returns:: bool success

Friends And Related Function Documentation

std::ostream& operator<<	(	std::ostream &	os,
		const COptProblem &	o
	)		`[friend]`

Output stream operator

Parameters:

ostream	& os
const	COptProblem & A

Returns:: ostream & os

Member Data Documentation

C_FLOAT64 COptProblem::mCalculateValue [protected]

A vector of results for calculate

unsigned C_INT32 COptProblem::mConstraintCounter [protected]

Counter of constraint checks

unsigned C_INT32 COptProblem::mCounter [protected]

Counter of evaluations

CCopasiTimer COptProblem::mCPUTime [protected]

A CPU Timer

unsigned C_INT32 COptProblem::mFailedConstraintCounter [protected]

Counter of failed constraint checks

unsigned C_INT32 COptProblem::mFailedCounter [protected]

Counter of failed evaluations

CVector< C_FLOAT64 > COptProblem::mGradient [protected]

The gradient vector for the parameters

bool COptProblem::mHaveStatistics [protected]

Indicates whether the statistics have been calculated for the current result

unsigned C_INT32 COptProblem::mhCounter [protected]

Handle of "Function Evaluations" process report item

unsigned C_INT32 COptProblem::mhSolutionValue [protected]

Handle of "Best Value" process report item

C_FLOAT64 COptProblem::mInfinity [protected]

A static value containing Infinity.

std::vector< Refresh * > COptProblem::mInitialRefreshMethods [protected]

A vector of refresh methods which need to be called update all initial values which depend on the optimization items.

CVector< C_FLOAT64 > COptProblem::mOriginalVariables [protected]

A vector of solution variables

std::vector<COptItem *>* COptProblem::mpConstraintItems [protected]

A pointer to the vector of optimization constraints

CCopasiParameterGroup* COptProblem::mpGrpConstraints [protected]

A pointer to the value of the CCopasiParameter holding the OptimizationConstraints

CCopasiParameterGroup* COptProblem::mpGrpItems [protected]

A pointer to the value of the CCopasiParameterGroup holding the OptimizationItems

CExpression* COptProblem::mpObjectiveExpression [protected]

The objective function which should be minimized or maximized.

std::vector<COptItem *>* COptProblem::mpOptItems [protected]

A pointer to the vector of optimization items

bool* COptProblem::mpParmMaximize [protected]

A pointer to the value of the CCopasiParameter holding Maximize

std::string* COptProblem::mpParmObjectiveExpression [protected]

A pointer to the value of the CCopasiParameter holding the ObjectiveFunctionKey A pointer to the value of the CCopasiParameter holding the infix expression of the objective function

std::string* COptProblem::mpParmSubtaskCN [protected]

A pointer to the value of the CCopasiParameter holding the CN for the subtask

CCopasiTask* COptProblem::mpSubtask [mutable, protected]

Pointer to the subtask to be used in the optimization

std::vector< Refresh * > COptProblem::mRefreshConstraints [protected]

A vector of refresh methods which need to be called retrieve the values of constraints.

std::vector< Refresh * > COptProblem::mRefreshMethods [protected]

A vector of refresh methods which need to be called retrieve the value of the objective function.

C_FLOAT64 COptProblem::mSolutionValue [protected]

A vector of solution results

CVector< C_FLOAT64 > COptProblem::mSolutionVariables [protected]

A vector of solution variables