#include <COptMethodSA.h>

Inheritance diagram for COptMethodSA:

Collaboration diagram for COptMethodSA:

Public Member Functions
	COptMethodSA (const COptMethodSA &src, const CCopasiContainer *pParent=NULL)

virtual bool	optimise ()

virtual	~COptMethodSA ()

Public Member Functions inherited from COptMethod
	COptMethod (const COptMethod &src, const CCopasiContainer *pParent=NULL)

bool	isBounded (void)

virtual bool	isValidProblem (const CCopasiProblem *pProblem)

void	setProblem (COptProblem *problem)

virtual	~COptMethod ()

Public Member Functions inherited from CCopasiMethod
	CCopasiMethod (const CCopasiMethod &src, const CCopasiContainer *pParent=NULL)

const CCopasiMethod::SubType &	getSubType () const

const CCopasiTask::Type &	getType () const

virtual void	load (CReadConfig &configBuffer, CReadConfig::Mode mode=CReadConfig::SEARCH)

virtual void	print (std::ostream *ostream) const

virtual void	printResult (std::ostream *ostream) const

virtual bool	setCallBack (CProcessReport *pCallBack)

virtual	~CCopasiMethod ()

Public Member Functions inherited from CCopasiParameterGroup
bool	addGroup (const std::string &name)

bool	addParameter (const CCopasiParameter &parameter)

bool	addParameter (const std::string &name, const CCopasiParameter::Type type)

template<class CType >
bool	addParameter (const std::string &name, const CCopasiParameter::Type type, const CType &value)

void	addParameter (CCopasiParameter *pParameter)

CCopasiParameterGroup *	assertGroup (const std::string &name)

template<class CType >
CCopasiParameter *	assertParameter (const std::string &name, const CCopasiParameter::Type type, const CType &defaultValue)

index_iterator	beginIndex () const

name_iterator	beginName () const

	CCopasiParameterGroup (const CCopasiParameterGroup &src, const CCopasiContainer *pParent=NULL)

	CCopasiParameterGroup (const std::string &name, const CCopasiContainer *pParent=NULL, const std::string &objectType="ParameterGroup")

void	clear ()

virtual bool	elevateChildren ()

index_iterator	endIndex () const

name_iterator	endName () const

CCopasiParameterGroup *	getGroup (const std::string &name)

const CCopasiParameterGroup *	getGroup (const std::string &name) const

CCopasiParameterGroup *	getGroup (const size_t &index)

const CCopasiParameterGroup *	getGroup (const size_t &index) const

size_t	getIndex (const std::string &name) const

std::string	getKey (const std::string &name) const

std::string	getKey (const size_t &index) const

virtual const std::string &	getName (const size_t &index) const

virtual const CObjectInterface *	getObject (const CCopasiObjectName &cn) const

CCopasiParameter *	getParameter (const std::string &name)

const CCopasiParameter *	getParameter (const std::string &name) const

CCopasiParameter *	getParameter (const size_t &index)

const CCopasiParameter *	getParameter (const size_t &index) const

CCopasiParameter::Type	getType (const std::string &name) const

CCopasiParameter::Type	getType (const size_t &index) const

std::string	getUniqueParameterName (const CCopasiParameter *pParameter) const

const CCopasiParameter::Value &	getValue (const std::string &name) const

const CCopasiParameter::Value &	getValue (const size_t &index) const

CCopasiParameter::Value &	getValue (const std::string &name)

CCopasiParameter::Value &	getValue (const size_t &index)

CCopasiParameterGroup &	operator= (const CCopasiParameterGroup &rhs)

bool	removeParameter (const std::string &name)

bool	removeParameter (const size_t &index)

template<class CType >
bool	setValue (const std::string &name, const CType &value)

template<class CType >
bool	setValue (const size_t &index, const CType &value)

size_t	size () const

bool	swap (const size_t &iFrom, const size_t &iTo)

bool	swap (index_iterator &from, index_iterator &to)

virtual	~CCopasiParameterGroup ()

Public Member Functions inherited from CCopasiParameter
	CCopasiParameter (const CCopasiParameter &src, const CCopasiContainer *pParent=NULL)

	CCopasiParameter (const std::string &name, const Type &type, const void pValue=NULL, const CCopasiContainer pParent=NULL, const std::string &objectType="Parameter")

virtual CCopasiObjectName	getCN () const

virtual const std::string &	getKey () const

virtual std::string	getObjectDisplayName (bool regular=true, bool richtext=false) const

const CCopasiParameter::Type &	getType () const

const Value &	getValue () const

Value &	getValue ()

virtual void *	getValuePointer () const

CCopasiObject *	getValueReference () const

bool	isValidValue (const C_FLOAT64 &value) const

bool	isValidValue (const C_INT32 &value) const

bool	isValidValue (const unsigned C_INT32 &value) const

bool	isValidValue (const bool &value) const

bool	isValidValue (const std::string &value) const

bool	isValidValue (const CCopasiObjectName &value) const

bool	isValidValue (const std::vector< CCopasiParameter * > &value) const

CCopasiParameter &	operator= (const CCopasiParameter &rhs)

template<class CType >
bool	setValue (const CType &value)

bool	setValue (const std::vector< CCopasiParameter * > &value)

virtual	~CCopasiParameter ()

Public Member Functions inherited from CCopasiContainer
virtual bool	add (CCopasiObject *pObject, const bool &adopt=true)

	CCopasiContainer (const std::string &name, const CCopasiContainer *pParent=NULL, const std::string &type="CN", const unsigned C_INT32 &flag=CCopasiObject::Container)

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

virtual std::string	getChildObjectUnits (const CCopasiObject *pObject) const

virtual const objectMap &	getObjects () const

virtual std::string	getUnits () const

virtual const CCopasiObject *	getValueObject () const

virtual bool	remove (CCopasiObject *pObject)

virtual	~CCopasiContainer ()

Public Member Functions inherited from CCopasiObject
void	addDirectDependency (const CCopasiObject *pObject)

	CCopasiObject (const CCopasiObject &src, const CCopasiContainer *pParent=NULL)

void	clearDirectDependencies ()

void	clearRefresh ()

bool	dependsOn (DataObjectSet candidates, const DataObjectSet &context=DataObjectSet()) const

void	getAllDependencies (DataObjectSet &dependencies, const DataObjectSet &context) const

virtual const DataObjectSet &	getDirectDependencies (const DataObjectSet &context=DataObjectSet()) const

CCopasiContainer *	getObjectAncestor (const std::string &type) const

CCopasiDataModel *	getObjectDataModel ()

const CCopasiDataModel *	getObjectDataModel () const

const std::string &	getObjectName () const

CCopasiContainer *	getObjectParent () const

const std::string &	getObjectType () const

virtual const CObjectInterface::ObjectSet &	getPrerequisites () const

virtual Refresh *	getRefresh () const

UpdateMethod *	getUpdateMethod () const

bool	hasCircularDependencies (DataObjectSet &candidates, DataObjectSet &verified, const DataObjectSet &context) const

bool	hasUpdateMethod () const

bool	isArray () const

bool	isContainer () const

bool	isDataModel () const

bool	isMatrix () const

bool	isNameVector () const

bool	isNonUniqueName () const

virtual bool	isPrerequisiteForContext (const CObjectInterface *pObject, const CMath::SimulationContextFlag &context, const CObjectInterface::ObjectSet &changedObjects) const

bool	isReference () const

bool	isRoot () const

bool	isSeparator () const

bool	isStaticString () const

bool	isValueBool () const

bool	isValueDbl () const

bool	isValueInt () const

bool	isValueInt64 () const

bool	isValueString () const

bool	isVector () const

virtual bool	mustBeDeleted (const DataObjectSet &deletedObjects) const

void	removeDirectDependency (const CCopasiObject *pObject)

void	setDirectDependencies (const DataObjectSet &directDependencies)

bool	setObjectName (const std::string &name)

virtual bool	setObjectParent (const CCopasiContainer *pParent)

void	setObjectValue (const C_FLOAT64 &value)

void	setObjectValue (const C_INT32 &value)

void	setObjectValue (const bool &value)

template<class CType >
void	setRefresh (CType pType, void(CType::method)(void))

template<class CType >
void	setUpdateMethod (CType pType, void(CType::method)(const C_FLOAT64 &))

template<class CType >
void	setUpdateMethod (CType pType, void(CType::method)(const C_INT32 &))

template<class CType >
void	setUpdateMethod (CType pType, void(CType::method)(const bool &))

virtual	~CCopasiObject ()

Public Member Functions inherited from CObjectInterface
	CObjectInterface ()

virtual	~CObjectInterface ()

Private Member Functions
virtual bool	cleanup ()

	COptMethodSA (const CCopasiContainer *pParent=NULL)

const C_FLOAT64 &	evaluate ()

virtual bool	initialize ()

void	initObjects ()

Private Attributes
CVector< size_t >	mAccepted

C_FLOAT64	mBestValue

bool	mContinue

C_FLOAT64	mCoolingFactor

CVector< C_FLOAT64 >	mCurrent

C_FLOAT64	mCurrentValue

C_FLOAT64	mEvaluationValue

size_t	mhTemperature

CRandom *	mpRandom

CVector< C_FLOAT64 >	mStep

C_FLOAT64	mTemperature

C_FLOAT64	mTolerance

size_t	mVariableSize

Friends
COptMethod *	COptMethod::createMethod (CCopasiMethod::SubType subType)

Additional Inherited Members
Public Types inherited from CCopasiMethod
enum	SubType { unset = 0, RandomSearch, RandomSearchMaster, SimulatedAnnealing, CoranaWalk, DifferentialEvolution, ScatterSearch, GeneticAlgorithm, EvolutionaryProgram, SteepestDescent, HybridGASA, GeneticAlgorithmSR, HookeJeeves, LevenbergMarquardt, NelderMead, SRES, Statistics, ParticleSwarm, Praxis, TruncatedNewton, Newton, deterministic, LSODAR, directMethod, stochastic, tauLeap, adaptiveSA, hybrid, hybridLSODA, hybridODE45, DsaLsodar, tssILDM, tssILDMModified, tssCSP, mcaMethodReder, scanMethod, lyapWolf, sensMethod, EFMAlgorithm, EFMBitPatternTreeAlgorithm, EFMBitPatternAlgorithm, Householder, crossSectionMethod, linearNoiseApproximation }

Public Types inherited from CCopasiParameterGroup
typedef parameterGroup::iterator	index_iterator

typedef CCopasiContainer::objectMap::iterator	name_iterator

typedef std::vector < CCopasiParameter * >	parameterGroup

Public Types inherited from CCopasiParameter
enum	Type { DOUBLE = 0, UDOUBLE, INT, UINT, BOOL, GROUP, STRING, CN, KEY, FILE, EXPRESSION, INVALID }

Public Types inherited from CCopasiContainer
typedef std::multimap < std::string, CCopasiObject * >	objectMap

Public Types inherited from CCopasiObject
typedef std::set< const CCopasiObject * >	DataObjectSet

typedef std::vector< Refresh * >	DataUpdateSequence

Public Types inherited from CObjectInterface
typedef std::set< const CObjectInterface * >	ObjectSet

typedef std::vector < CObjectInterface * >	UpdateSequence

Static Public Member Functions inherited from COptMethod
static COptMethod *	createMethod (CCopasiMethod::SubType subType=CCopasiMethod::RandomSearch)

Static Public Member Functions inherited from CCopasiObject
static std::vector< Refresh * >	buildUpdateSequence (const DataObjectSet &objects, const DataObjectSet &uptoDateObjects, const DataObjectSet &context=DataObjectSet())

static void	setRenameHandler (CRenameHandler *rh)

Static Public Attributes inherited from CCopasiMethod
static const std::string	SubTypeName []

static const char *	XMLSubType []

Static Public Attributes inherited from CCopasiParameter
static const std::string	TypeName []

static const char *	XMLType []

Static Public Attributes inherited from CCopasiContainer
static const std::vector < CCopasiContainer * >	EmptyList

Protected Types inherited from CCopasiObject
enum	Flag { Container = 0x1, Vector = 0x2, Matrix = 0x4, NameVector = 0x8, Reference = 0x10, ValueBool = 0x20, ValueInt = 0x40, ValueInt64 = 0x80, ValueDbl = 0x100, NonUniqueName = 0x200, StaticString = 0x400, ValueString = 0x800, Separator = 0x1000, ModelEntity = 0x2000, Array = 0x4000, DataModel = 0x8000, Root = 0x10000, Gui = 0x20000 }

Protected Member Functions inherited from COptMethod
	COptMethod (const CCopasiTask::Type &taskType, const SubType &subType, const CCopasiContainer *pParent=NULL)

Protected Member Functions inherited from CCopasiMethod
	CCopasiMethod (const CCopasiTask::Type &taskType, const SubType &subType, const CCopasiContainer *pParent=NULL)

Protected Member Functions inherited from CCopasiParameterGroup
	CCopasiParameterGroup ()

Protected Member Functions inherited from CCopasiContainer
template<class CType >
CCopasiObject *	addMatrixReference (const std::string &name, CType &reference, const unsigned C_INT32 &flag=0)

template<class CType >
CCopasiObject *	addObjectReference (const std::string &name, CType &reference, const unsigned C_INT32 &flag=0)

template<class CType >
CCopasiObject *	addVectorReference (const std::string &name, CType &reference, const unsigned C_INT32 &flag=0)

void	initObjects ()

Protected Member Functions inherited from CCopasiObject
	CCopasiObject ()

	CCopasiObject (const std::string &name, const CCopasiContainer *pParent=NULL, const std::string &type="CN", const unsigned C_INT32 &flag=0)

Protected Attributes inherited from COptMethod
const bool	mBounds

const std::vector< COptItem * > *	mpOptContraints

const std::vector< COptItem * > *	mpOptItem

COptProblem *	mpOptProblem

COptTask *	mpParentTask

const std::vector < UpdateMethod * > *	mpSetCalculateVariable

Protected Attributes inherited from CCopasiMethod
CProcessReport *	mpCallBack

Protected Attributes inherited from CCopasiParameter
std::string	mKey

CCopasiObject *	mpValueReference

size_t	mSize

Value	mValue

Protected Attributes inherited from CCopasiContainer
objectMap	mObjects

Static Protected Attributes inherited from CCopasiObject
static CRenameHandler *	smpRenameHandler = NULL

Detailed Description

Definition at line 31 of file COptMethodSA.h.

Constructor & Destructor Documentation

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

Copy Constructor

Parameters

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

Definition at line 47 of file COptMethodSA.cpp.

References initObjects().

                                                             :
   COptMethod(src, pParent)
 {initObjects();}

COptMethodSA::~COptMethodSA ( )

virtual

Destructor

Definition at line 52 of file COptMethodSA.cpp.

References cleanup().

53 {cleanup();}

COptMethodSA::cleanup

virtual bool cleanup()

Definition: COptMethodSA.cpp:275

COptMethodSA::COptMethodSA ( const CCopasiContainer * pParent = NULL )

private

Default Constructor

Parameters

const CCopasiContainer * pParent (default: NULL)

Definition at line 35 of file COptMethodSA.cpp.

References CCopasiParameterGroup::addParameter(), C_FLOAT64, C_INT32, initObjects(), CRandom::mt19937, CCopasiParameter::UDOUBLE, and CCopasiParameter::UINT.

                                                           :
   COptMethod(CCopasiTask::optimization, CCopasiMethod::SimulatedAnnealing, pParent)
 {
   addParameter("Start Temperature", CCopasiParameter::UDOUBLE, (C_FLOAT64) 1.0);
   addParameter("Cooling Factor", CCopasiParameter::UDOUBLE, (C_FLOAT64) 0.85);
   addParameter("Tolerance", CCopasiParameter::UDOUBLE, (C_FLOAT64) 1.e-006);
   addParameter("Random Number Generator", CCopasiParameter::UINT, (unsigned C_INT32) CRandom::mt19937);
   addParameter("Seed", CCopasiParameter::UINT, (unsigned C_INT32) 0);
 
   initObjects();
 }

Member Function Documentation

bool COptMethodSA::cleanup ( )

privatevirtual

Cleanup arrays and pointers.

Returns: bool success

Reimplemented from COptMethod.

Definition at line 275 of file COptMethodSA.cpp.

Referenced by initialize(), and ~COptMethodSA().

 {
   return true;
 }

const C_FLOAT64 & COptMethodSA::evaluate ( )

private

Evaluate the objective function

Returns: bool continue

Definition at line 280 of file COptMethodSA.cpp.

References COptProblem::calculate(), COptProblem::checkFunctionalConstraints(), COptProblem::getCalculateValue(), mContinue, mEvaluationValue, and COptMethod::mpOptProblem.

Referenced by optimise().

 {
   // We do not need to check whether the parametric constraints are fulfilled
   // since the parameters are created within the bounds.
 
   mContinue &= mpOptProblem->calculate();
   mEvaluationValue = mpOptProblem->getCalculateValue();
 
   // When we leave the either functional domain
   // we set the objective value +Inf
   if (!mpOptProblem->checkFunctionalConstraints())
     mEvaluationValue = std::numeric_limits<C_FLOAT64>::infinity();
 
   return mEvaluationValue;
 }

bool COptMethodSA::initialize ( )

privatevirtual

Initialize arrays and pointer.

Returns: bool success

Reimplemented from COptMethod.

Definition at line 296 of file COptMethodSA.cpp.

References CProcessReport::addItem(), cleanup(), CRandom::createGenerator(), CCopasiParameter::getValue(), COptMethod::initialize(), mAccepted, mBestValue, mContinue, mCoolingFactor, mCurrent, mhTemperature, CCopasiMethod::mpCallBack, COptMethod::mpOptItem, mpRandom, mStep, mTemperature, mTolerance, mVariableSize, CCopasiParameter::Value::pUDOUBLE, and CVector< CType >::resize().

Referenced by optimise().

 {
   cleanup();
 
   if (!COptMethod::initialize()) return false;
 
   mTemperature = * getValue("Start Temperature").pUDOUBLE;
   mCoolingFactor = * getValue("Cooling Factor").pUDOUBLE;
   mTolerance = * getValue("Tolerance").pUDOUBLE;
   mpRandom =
     CRandom::createGenerator(* (CRandom::Type *) getValue("Random Number Generator").pUINT,
                              * getValue("Seed").pUINT);
 
   if (mpCallBack)
     mhTemperature =
       mpCallBack->addItem("Current Temperature",
                           mTemperature);
 
   mBestValue = std::numeric_limits<C_FLOAT64>::infinity();
   mContinue = true;
 
   mVariableSize = mpOptItem->size();
 
   mCurrent.resize(mVariableSize);
   mStep.resize(mVariableSize);
   mAccepted.resize(mVariableSize);
 
   return true;
 }

void COptMethodSA::initObjects ( )

private

Initialize contained objects.

Definition at line 55 of file COptMethodSA.cpp.

References CCopasiContainer::addObjectReference(), mTemperature, and CCopasiObject::ValueDbl.

Referenced by COptMethodSA().

 {
   addObjectReference("Current Temperature", mTemperature, CCopasiObject::ValueDbl);
 }

bool COptMethodSA::optimise ( void )

virtual

Execute the optimization algorithm calling simulation routine when needed. It is noted that this procedure can give feedback of its progress by the callback function set with SetCallback. @ return success;

Reimplemented from COptMethod.

Definition at line 60 of file COptMethodSA.cpp.

References C_FLOAT64, COptItem::checkConstraint(), COptProblem::checkFunctionalConstraints(), COptProblem::checkParametricConstraints(), COutputInterface::DURING, evaluate(), CProcessReport::finishItem(), COptItem::getLowerBoundValue(), CRandom::getRandomCC(), CRandom::getRandomCO(), COptProblem::getSolutionVariables(), COptItem::getStartValue(), COptItem::getUpperBoundValue(), initialize(), K, mAccepted, max, mBestValue, mContinue, mCoolingFactor, mCurrent, mCurrentValue, mEvaluationValue, mhTemperature, CCopasiMethod::mpCallBack, COptMethod::mpOptProblem, COptMethod::mpParentTask, mpRandom, COptMethod::mpSetCalculateVariable, mStep, mTemperature, mTolerance, mVariableSize, NS, CCopasiTask::output(), CProcessReport::progressItem(), COptProblem::setSolution(), and STORED.

 {
   if (!initialize())
     {
       if (mpCallBack)
         mpCallBack->finishItem(mhTemperature);
 
       return false;
     }
 
   size_t i, j, k, m;
 
   size_t h, a;
   C_FLOAT64 xc, p, c, nt, New;
   C_FLOAT64 fk[STORED];
   bool ready;
 
   // initial point is first guess but we have to make sure that we
   // are within the parameter domain
   for (i = 0; i < mVariableSize; i++)
     {
       const COptItem & OptItem = *(*mpOptItem)[i];
 
       switch (OptItem.checkConstraint(OptItem.getStartValue()))
         {
           case - 1:
             mCurrent[i] = *OptItem.getLowerBoundValue();
             break;
 
           case 1:
             mCurrent[i] = *OptItem.getUpperBoundValue();
             break;
 
           case 0:
             mCurrent[i] = OptItem.getStartValue();
             break;
         }
 
       (*(*mpSetCalculateVariable)[i])(mCurrent[i]);
 
       // The step must not contain any zeroes
       mStep[i] = std::max(fabs(mCurrent[i]), 1.0);
     }
 
   mCurrentValue = evaluate();
 
   if (!isnan(mEvaluationValue))
     {
       // and store that value
       mBestValue = mEvaluationValue;
       mContinue &= mpOptProblem->setSolution(mBestValue, mCurrent);
 
       // We found a new best value lets report it.
       mpParentTask->output(COutputInterface::DURING);
     }
 
   // store this in all positions
   for (a = 0; a < STORED; a++)
     fk[a] = mCurrentValue;
 
   mAccepted = 0;
 
   // set the number of steps at one single temperature
   nt = (C_FLOAT64)(5 * mVariableSize);
 
   if (nt < 100) nt = 100;
 
   // no temperature reductions yet
   k = 0;
 
   do // number of internal cycles: max(5*mVariableSize, 100) * NS * mVariableSize
     {
       for (m = 0; m < nt && mContinue; m++) // step adjustments
         {
           for (j = 0; j < NS && mContinue; j++) // adjustment in all directions
             {
               for (h = 0; h < mVariableSize && mContinue; h++) // adjustment in one direction
                 {
                   // Calculate the step
                   xc = (2.0 * mpRandom->getRandomCC() - 1) * mStep[h];
                   New = mCurrent[h] + xc;
 
                   // Set the new parameter value
                   (*(*mpSetCalculateVariable)[h])(New);
 
                   // Check all parametric constraints
                   if (!mpOptProblem->checkParametricConstraints())
                     {
                       // Undo since not accepted
                       (*(*mpSetCalculateVariable)[h])(mCurrent[h]);
                       continue;
                     }
 
                   // evaluate the function
                   evaluate();
 
                   // Check all functional constraints
                   if (!mpOptProblem->checkFunctionalConstraints())
                     {
                       // Undo since not accepted
                       (*(*mpSetCalculateVariable)[h])(mCurrent[h]);
                       continue;
                     }
 
                   // here we have a completely feasible point
                   // keep if energy is reduced
                   if (mEvaluationValue <= mCurrentValue)
                     {
                       // only one value has changed...
                       mCurrent[h] = New;
                       mCurrentValue = mEvaluationValue;
                       i++;  // a new point
                       mAccepted[h]++; // a new point in this coordinate
 
                       if (mCurrentValue < mBestValue)
                         {
                           // and store that value
                           mBestValue = mEvaluationValue;
                           mContinue &= mpOptProblem->setSolution(mBestValue, mCurrent);
 
                           // We found a new best value lets report it.
                           mpParentTask->output(COutputInterface::DURING);
                         }
                     }
                   else
                     {
                       // keep with probability p, if energy is increased
                       p = exp((mCurrentValue - mEvaluationValue) / (K * mTemperature));
 
                       if (p > mpRandom->getRandomCO())
                         {
                           // only one value has changed...
                           mCurrent[h] = New;
                           mCurrentValue = mEvaluationValue;
                           i++;  // a new point
                           mAccepted[h]++; // a new point in this coordinate
                         }
                       else
                         // Undo since not accepted
                         (*(*mpSetCalculateVariable)[h])(mCurrent[h]);
                     }
                 }
             }
 
           // update the step sizes
           for (a = 0; a < mVariableSize; a++)
             {
               c = (C_FLOAT64) mAccepted[a] / (C_FLOAT64) NS;
 
               if (c > 0.6)
                 mStep[a] *= 1 + 5 * (c - 0.6);
               else if (c < 0.4)
                 mStep[a] /= 1 + 5 * (0.4 - c);
 
               mAccepted[a] = 0;
             }
         }
 
       // the equilibrium energy
 
       k++;
 
       // if this is the first cycle ignore the convergence tests
       if (k == 1)
         ready = false;
       else
         {
           ready = true;
 
           // check termination criterion of not much change since last STORED times
           for (a = 0; a < STORED; a++)
             if (fabs(fk[a] - mCurrentValue) > mTolerance)
               {
                 ready = false;
                 break;
               }
 
           if (!ready)
             {
               for (a = 0; a < STORED - 1; a++)
                 fk[a] = fk[a + 1];
 
               fk[STORED - 1] = mCurrentValue;
             }
           // check the termination criterion of not much larger than last optimal
           else if (fabs(mCurrentValue - mBestValue) > mTolerance)
             ready = false;
         }
 
       if (!ready)
         {
           i++;
 
           mCurrent = mpOptProblem->getSolutionVariables();
 
           for (a = 0; a < mVariableSize; a++)
             (*(*mpSetCalculateVariable)[a])(mCurrent[a]);
 
           mCurrentValue = mBestValue;
         }
 
       // update the temperature
       mTemperature *= mCoolingFactor;
 
       if (mpCallBack)
         mContinue &= mpCallBack->progressItem(mhTemperature);
     }
   while (!ready && mContinue);
 
   if (mpCallBack)
     mpCallBack->finishItem(mhTemperature);
 
   return true;
 }

Friends And Related Function Documentation

COptMethod* COptMethod::createMethod ( CCopasiMethod::SubType subType )

friend

Member Data Documentation

CVector< size_t > COptMethodSA::mAccepted

private

The number of accepted steps

Definition at line 154 of file COptMethodSA.h.

Referenced by initialize(), and optimise().

C_FLOAT64 COptMethodSA::mBestValue

private

The best value found so far

Definition at line 124 of file COptMethodSA.h.

Referenced by initialize(), and optimise().

bool COptMethodSA::mContinue

private

Flag indicating whether the computation shall continue

Definition at line 134 of file COptMethodSA.h.

Referenced by evaluate(), initialize(), and optimise().

C_FLOAT64 COptMethodSA::mCoolingFactor

private

The cooling factor

Definition at line 104 of file COptMethodSA.h.

Referenced by initialize(), and optimise().

CVector< C_FLOAT64 > COptMethodSA::mCurrent

private

The current solution guess

Definition at line 139 of file COptMethodSA.h.

Referenced by initialize(), and optimise().

C_FLOAT64 COptMethodSA::mCurrentValue

private

The result of a function evaluation for mCurrent

Definition at line 144 of file COptMethodSA.h.

Referenced by optimise().

C_FLOAT64 COptMethodSA::mEvaluationValue

private

The result of a function evaluation

Definition at line 129 of file COptMethodSA.h.

Referenced by evaluate(), and optimise().

size_t COptMethodSA::mhTemperature

private

Handle to the process report item "Current Temperature"

Definition at line 99 of file COptMethodSA.h.

Referenced by initialize(), and optimise().

CRandom* COptMethodSA::mpRandom

private

a pointer to the randomnumber generator.

Definition at line 114 of file COptMethodSA.h.

Referenced by initialize(), and optimise().

CVector< C_FLOAT64 > COptMethodSA::mStep

private

The step taken

Definition at line 149 of file COptMethodSA.h.

Referenced by initialize(), and optimise().

C_FLOAT64 COptMethodSA::mTemperature

private

The current temperature

Definition at line 94 of file COptMethodSA.h.

Referenced by initialize(), initObjects(), and optimise().

C_FLOAT64 COptMethodSA::mTolerance

private

The tolerance

Definition at line 109 of file COptMethodSA.h.

Referenced by initialize(), and optimise().

size_t COptMethodSA::mVariableSize

private

number of parameters

Definition at line 119 of file COptMethodSA.h.

Referenced by initialize(), and optimise().

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

Public Member Functions

Private Member Functions

Private Attributes

Friends

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation