CQFittingWidget Class Reference

#include <CQFittingWidget.h>

Inheritance diagram for CQFittingWidget:

Collaboration diagram for CQFittingWidget:

Public Slots
void	slotConstraintNumberChanged (int number)
void	slotParameterNumberChanged (int number)
Public Slots inherited from TaskWidget
void	adjustTable ()
void	slotFinishThread ()

Public Member Functions
	CQFittingWidget (QWidget *parent=0, const char *name=0)
virtual bool	runTask ()
	~CQFittingWidget ()
Public Member Functions inherited from TaskWidget
CCopasiTask *	getTask ()
virtual bool	leave ()
	TaskWidget (QWidget *parent=0, const char *name=0, Qt::WFlags fl=0)
virtual bool	update (ListViews::ObjectType objectType, ListViews::Action action, const std::string &key)
	~TaskWidget ()
Public Member Functions inherited from CopasiWidget
	CopasiWidget (QWidget *parent=0, const char *name=0, Qt::WFlags f=0)
bool	enter (const std::string &key)
CCopasiDataModel *	getDataModel ()
bool	getIgnoreUpdates ()
virtual void	setFramework (int framework)
void	setIgnoreUpdates (bool v)

Protected Slots
void	slotCrossValidationData ()
void	slotExperimentData ()
void	slotPageChange (QWidget *currentPage)
Protected Slots inherited from TaskWidget
void	assistantBtnClicked ()
void	reportBtnClicked ()
void	revertBtnClicked ()
void	runBtnClicked ()
Protected Slots inherited from CopasiWidget
virtual bool	protectedNotify (ListViews::ObjectType objectType, ListViews::Action action, const std::string &key="")

Protected Member Functions
virtual CCopasiMethod *	createMethod (const CCopasiMethod::SubType &type)
virtual bool	loadTask ()
virtual bool	saveTask ()
virtual bool	taskFinishedEvent ()
Protected Member Functions inherited from TaskWidget
bool	commonAfterRunTask ()
bool	commonBeforeRunTask ()
bool	commonRunTask ()
virtual bool	enterProtected ()
void	finishTask ()
bool	loadCommon ()
bool	loadMethod ()
bool	saveCommon ()
bool	saveMethod ()

Protected Attributes
std::map< std::string, std::string >	mCrossValidationKeyMap
std::map< std::string, std::string >	mExperimentKeyMap
size_t	mnParamterSetsBeforeRun
CCrossValidationSet *	mpCrossValidationSet
CQFittingItemWidget *	mpCurrentList
CExperimentSet *	mpExperimentSet
Protected Attributes inherited from TaskWidget
bool	mChanged
CQTaskBtnWidget *	mpBtnWidget
CQTaskHeaderWidget *	mpHeaderWidget
CCopasiMethod *	mpMethod
QGridLayout *	mpMethodLayout
CQTaskMethodWidget *	mpMethodWidget
CProgressBar *	mProgressBar
QSpacerItem *	mpSpacer1
QSpacerItem *	mpSpacer2
CCopasiTask *	mpTask
CQTaskThread *	mpTaskThread
Protected Attributes inherited from CopasiWidget
int	mFramework
bool	mIgnoreUpdates
std::string	mKey
CCopasiDataModel *	mpDataModel
ListViews *	mpListView
CCopasiObject *	mpObject

Private Member Functions
void	destroy ()
void	init ()

Detailed Description

Definition at line 26 of file CQFittingWidget.h.

Constructor & Destructor Documentation

CQFittingWidget::CQFittingWidget	(	QWidget *	parent = 0,
		const char *	name = 0
	)

Definition at line 48 of file CQFittingWidget.cpp.

References init().

  : TaskWidget(parent, name)
{
  setupUi(this);

  init();
}

CQFittingWidget::~CQFittingWidget

(

)

Definition at line 59 of file CQFittingWidget.cpp.

References destroy().

{
  destroy();
  // no need to delete child widgets, Qt does it all for us
}

Member Function Documentation

CCopasiMethod * CQFittingWidget::createMethod ( const CCopasiMethod::SubType &  type )

protectedvirtual

Implements TaskWidget.

Definition at line 289 of file CQFittingWidget.cpp.

References CFitMethod::createMethod().

{return CFitMethod::createMethod(type);}

void CQFittingWidget::destroy ( )

private

Definition at line 384 of file CQFittingWidget.cpp.

References mpCrossValidationSet, mpExperimentSet, and pdelete.

Referenced by ~CQFittingWidget().

{
  pdelete(mpExperimentSet);
  pdelete(mpCrossValidationSet);
}

void CQFittingWidget::init ( )

private

Definition at line 348 of file CQFittingWidget.cpp.

References CQFittingItemWidget::FIT_CONSTRAINT, CQFittingItemWidget::FIT_ITEM, TaskWidget::mpBtnWidget, mpCrossValidationSet, mpCurrentList, mpExperimentSet, TaskWidget::mpHeaderWidget, TaskWidget::mpMethodWidget, CQTaskHeaderWidget::setTaskName(), CQTaskMethodWidget::setValidMethods(), CQTaskMethodWidget::showMethodParameters(), slotConstraintNumberChanged(), slotParameterNumberChanged(), and COptTask::ValidMethods.

Referenced by CQFittingWidget().

{
  mpHeaderWidget->setTaskName("Parameter Estimation");

  verticalLayout->insertWidget(0, mpHeaderWidget);
  // verticalLayout->insertSpacing(1, 14);      // space between header and body

  mpMethodWidget->setValidMethods(CFitTask::ValidMethods);
  mpMethodWidget->showMethodParameters(true);
  verticalLayout->addWidget(mpMethodWidget);

  verticalLayout->addWidget(mpBtnWidget);

  mpParameters->setItemType(CQFittingItemWidget::FIT_ITEM);
  connect(mpParameters, SIGNAL(numberChanged(int)), this, SLOT(slotParameterNumberChanged(int)));

  mpConstraints->setItemType(CQFittingItemWidget::FIT_CONSTRAINT);
  connect(mpConstraints, SIGNAL(numberChanged(int)), this, SLOT(slotConstraintNumberChanged(int)));

  mpCurrentList = mpParameters;
  mpExperimentSet = NULL;
  mpCrossValidationSet = NULL;
}

bool CQFittingWidget::loadTask ( )

protectedvirtual

Implements TaskWidget.

Definition at line 224 of file CQFittingWidget.cpp.

References CQMessageBox::critical(), CCopasiMessage::ERROR, CCopasiMessage::getAllMessageText(), COptProblem::getCalculateStatistics(), CFitProblem::getCreateParameterSets(), CExperimentSet::getExperiment(), CExperimentSet::getExperimentCount(), CCopasiParameterGroup::getGroup(), CCopasiTask::getProblem(), COptProblem::getRandomizeStartValues(), CCopasiMessage::getType(), TaskWidget::loadCommon(), TaskWidget::loadMethod(), TaskWidget::mChanged, mCrossValidationKeyMap, mExperimentKeyMap, mpCrossValidationSet, CopasiWidget::mpDataModel, mpExperimentSet, TaskWidget::mpTask, pdelete, CCopasiMessage::peekLastMessage(), and pTask.

{
  CFitTask * pTask =
    dynamic_cast< CFitTask * >(mpTask);

  if (!pTask) return false;

  loadCommon();
  loadMethod();

  CFitProblem * pProblem =
    dynamic_cast<CFitProblem *>(mpTask->getProblem());

  if (!pProblem) return false;

  pdelete(mpExperimentSet)
  CExperimentSet * pExperimentSet =
    dynamic_cast<CExperimentSet *>(pProblem->getGroup("Experiment Set"));
  mpExperimentSet = new CExperimentSet(*pExperimentSet);

  mExperimentKeyMap.clear();
  size_t i, imax = mpExperimentSet->getExperimentCount();

  for (i = 0; i < imax; i++)
    mExperimentKeyMap[pExperimentSet->getExperiment(i)->CCopasiParameter::getKey()] =
      mpExperimentSet->getExperiment(i)->CCopasiParameter::getKey();

  pdelete(mpCrossValidationSet)
  CCrossValidationSet * pCrossValidationSet =
    dynamic_cast<CCrossValidationSet *>(pProblem->getGroup("Validation Set"));
  mpCrossValidationSet = new CCrossValidationSet(*pCrossValidationSet);

  mCrossValidationKeyMap.clear();
  imax = mpCrossValidationSet->getExperimentCount();

  for (i = 0; i < imax; i++)
    mCrossValidationKeyMap[pCrossValidationSet->getExperiment(i)->CCopasiParameter::getKey()] =
      mpCrossValidationSet->getExperiment(i)->CCopasiParameter::getKey();

  mpCheckRandomize->setChecked(pProblem->getRandomizeStartValues());
  mpCreateParameterSets->setChecked(pProblem->getCreateParameterSets());
  mpCheckStatistics->setChecked(pProblem->getCalculateStatistics());

  mpParameters->load(mpDataModel, pProblem->getGroup("OptimizationItemList"), &mExperimentKeyMap, &mCrossValidationKeyMap);

  if (CCopasiMessage::peekLastMessage().getType() == CCopasiMessage::ERROR)
    {
      CQMessageBox::critical(this, "Error loading Parameter estimation task",
                             CCopasiMessage::getAllMessageText().c_str(),
                             QMessageBox::Ok | QMessageBox::Default,
                             QMessageBox::NoButton);
    }

  mpParameters->setExperimentSet(const_cast<const CExperimentSet *&>(mpExperimentSet));
  mpParameters->setCrossValidationSet(const_cast<const CCrossValidationSet *&>(mpCrossValidationSet));

  mpConstraints->load(mpDataModel, pProblem->getGroup("OptimizationConstraintList"), &mExperimentKeyMap, &mCrossValidationKeyMap);
  mpConstraints->setExperimentSet(const_cast<const CExperimentSet *&>(mpExperimentSet));
  mpConstraints->setCrossValidationSet(const_cast<const CCrossValidationSet *&>(mpCrossValidationSet));

  mChanged = false;

  return true;
}

bool CQFittingWidget::runTask ( )

virtual

Implements TaskWidget.

Definition at line 292 of file CQFittingWidget.cpp.

References TaskWidget::commonBeforeRunTask(), TaskWidget::commonRunTask(), CKeyFactory::get(), CCopasiRootContainer::getKeyFactory(), CCopasiDataModel::getModel(), CModel::getModelParameterSets(), CCopasiObject::getObjectDataModel(), CopasiWidget::mKey, mnParamterSetsBeforeRun, pTask, and CCopasiVector< T >::size().

Referenced by SliderDialog::runParameterEstimationTask().

{
  CFitTask * pTask =
    dynamic_cast< CFitTask * >(CCopasiRootContainer::getKeyFactory()->get(mKey));

  if (!pTask) return false;

  mnParamterSetsBeforeRun = pTask->getObjectDataModel()->getModel()->getModelParameterSets().size();

  if (!commonBeforeRunTask()) return false;

  bool success = commonRunTask();

  return success;
}

bool CQFittingWidget::saveTask ( )

protectedvirtual

Implements TaskWidget.

Definition at line 65 of file CQFittingWidget.cpp.

References CExperimentSet::addExperiment(), C_INVALID_INDEX, CKeyFactory::get(), COptProblem::getCalculateStatistics(), CFitProblem::getCreateParameterSets(), CCopasiRootContainer::getDatamodelList(), CExperimentSet::getExperiment(), CExperimentSet::getExperimentCount(), CCopasiParameterGroup::getGroup(), CCopasiRootContainer::getKeyFactory(), CCopasiObject::getObjectName(), CCopasiTask::getProblem(), COptProblem::getRandomizeStartValues(), CCrossValidationSet::getThreshold(), CCrossValidationSet::getWeight(), if(), TaskWidget::mChanged, mCrossValidationKeyMap, mExperimentKeyMap, mpCrossValidationSet, mpExperimentSet, TaskWidget::mpTask, pTask, CExperimentSet::removeExperiment(), TaskWidget::saveCommon(), TaskWidget::saveMethod(), COptProblem::setCalculateStatistics(), CFitProblem::setCreateParameterSets(), COptProblem::setRandomizeStartValues(), and CCrossValidationSet::setWeight().

{
  CFitTask * pTask =
    dynamic_cast< CFitTask * >(mpTask);

  if (!pTask) return false;

  saveCommon();
  saveMethod();

  CFitProblem * pProblem =
    dynamic_cast<CFitProblem *>(mpTask->getProblem());

  if (!pProblem) return false;

  std::map<std::string, std::string> ExperimentMap;
  std::map<std::string, std::string> CrossValidationMap;

  // Save experiment set
  CExperimentSet * pExperimentSet =
    dynamic_cast<CExperimentSet *>(pProblem->getGroup("Experiment Set"));

  std::string Name;
  CExperiment * pExperiment;
  size_t i, imax;

  std::set<CExperiment *> DealtWith;

  for (i = pExperimentSet->getExperimentCount() - 1; i != C_INVALID_INDEX; i--)
    {
      pExperiment =
        dynamic_cast<CExperiment *>(CCopasiRootContainer::getKeyFactory()->get(mExperimentKeyMap[pExperimentSet->getExperiment(i)->CCopasiParameter::getKey()]));

      if (pExperiment && pExperiment == mpExperimentSet->getExperiment(pExperiment->getObjectName()))
        {
          if (!(*pExperimentSet->getExperiment(i) == *pExperiment))
            {
              *pExperimentSet->getExperiment(i) = *pExperiment;
              mChanged = true;
            }

          DealtWith.insert(pExperiment);
        }
      else
        {
          mExperimentKeyMap.erase(pExperimentSet->getExperiment(i)->CCopasiParameter::getKey());
          pExperimentSet->removeExperiment(i);
          mChanged = true;
        }
    }

  for (i = 0, imax = mpExperimentSet->getExperimentCount(); i < imax; i++)
    {
      pExperiment = mpExperimentSet->getExperiment(i);

      if (DealtWith.count(pExperiment)) continue;

      pExperiment = pExperimentSet->addExperiment(*pExperiment);
      mExperimentKeyMap[pExperiment->CCopasiParameter::getKey()] =
        mpExperimentSet->getExperiment(i)->CCopasiParameter::getKey();
      mChanged = true;
    }

  // We need to invert the key map for saving!
  std::map<std::string, std::string>::iterator it = mExperimentKeyMap.begin();
  std::map<std::string, std::string>::iterator end = mExperimentKeyMap.end();

  for (; it != end; ++it)
    ExperimentMap[it->second] = it->first;

  // Save cross validation experiment set
  CCrossValidationSet * pCrossValidationSet =
    dynamic_cast<CCrossValidationSet *>(pProblem->getGroup("Validation Set"));

  if (pCrossValidationSet->getWeight() != mpCrossValidationSet->getWeight())
    {
      pCrossValidationSet->setWeight(mpCrossValidationSet->getWeight());
      mChanged = true;
    }

  if (pCrossValidationSet->getThreshold() != mpCrossValidationSet->getThreshold())
    {
      pCrossValidationSet->setThreshold(mpCrossValidationSet->getThreshold());
      mChanged = true;
    }

  DealtWith.clear();

  for (i = pCrossValidationSet->getExperimentCount() - 1; i != C_INVALID_INDEX; i--)
    {
      pExperiment =
        dynamic_cast<CExperiment *>(CCopasiRootContainer::getKeyFactory()->get(mCrossValidationKeyMap[pCrossValidationSet->getExperiment(i)->CCopasiParameter::getKey()]));

      if (pExperiment && pExperiment == mpCrossValidationSet->getExperiment(pExperiment->getObjectName()))
        {
          if (!(*pCrossValidationSet->getExperiment(i) == *pExperiment))
            {
              *pCrossValidationSet->getExperiment(i) = *pExperiment;
              mChanged = true;
            }

          DealtWith.insert(pExperiment);
        }
      else
        {
          mCrossValidationKeyMap.erase(pCrossValidationSet->getExperiment(i)->CCopasiParameter::getKey());
          pCrossValidationSet->removeExperiment(i);
          mChanged = true;
        }
    }

  for (i = 0, imax = mpCrossValidationSet->getExperimentCount(); i < imax; i++)
    {
      pExperiment = mpCrossValidationSet->getExperiment(i);

      if (DealtWith.count(pExperiment)) continue;

      pExperiment = pCrossValidationSet->addExperiment(*pExperiment);
      mCrossValidationKeyMap[pExperiment->CCopasiParameter::getKey()] =
        mpCrossValidationSet->getExperiment(i)->CCopasiParameter::getKey();
      mChanged = true;
    }

  // We need to invert the key map for saving!
  it = mCrossValidationKeyMap.begin();
  end = mCrossValidationKeyMap.end();

  for (; it != end; ++it)
    CrossValidationMap[it->second] = it->first;

  if (mpCheckRandomize->isChecked() != pProblem->getRandomizeStartValues())
    {
      mChanged = true;
      pProblem->setRandomizeStartValues(mpCheckRandomize->isChecked());
    }

  if (mpCreateParameterSets->isChecked() != pProblem->getCreateParameterSets())
    {
      mChanged = true;
      pProblem->setCreateParameterSets(mpCreateParameterSets->isChecked());
    }

  if (mpCheckStatistics->isChecked() != pProblem->getCalculateStatistics())
    {
      mChanged = true;
      pProblem->setCalculateStatistics(mpCheckStatistics->isChecked());
    }

  mChanged |= mpParameters->save(&ExperimentMap, &CrossValidationMap);
  mChanged |= mpConstraints->save(&ExperimentMap, &CrossValidationMap);

  assert(CCopasiRootContainer::getDatamodelList()->size() > 0);

  if (mChanged)(*CCopasiRootContainer::getDatamodelList())[0]->changed();

  mChanged = false;
  return true;
}

void CQFittingWidget::slotConstraintNumberChanged ( int  number )

slot

Definition at line 378 of file CQFittingWidget.cpp.

Referenced by init().

{
  QString TabLabel = "Constraints (" + QString::number(number) + ")";
  mpTabWidget->setTabText(mpTabWidget->indexOf(mpConstraints), TabLabel);
}

void CQFittingWidget::slotCrossValidationData ( )

protectedslot

Definition at line 390 of file CQFittingWidget.cpp.

References CQExperimentData::load(), mpCrossValidationSet, CopasiWidget::mpDataModel, and pdelete.

{
  CQExperimentData * pDialog = new CQExperimentData(this);
  pDialog->load(mpCrossValidationSet, mpDataModel);

  connect(pDialog, SIGNAL(experimentChanged()), mpParameters, SLOT(slotCrossValidationChanged()));
  connect(pDialog, SIGNAL(experimentChanged()), mpConstraints, SLOT(slotCrossValidationChanged()));

  pDialog->exec();

  pdelete(pDialog);
}

void CQFittingWidget::slotExperimentData ( )

protectedslot

Definition at line 327 of file CQFittingWidget.cpp.

References CQExperimentData::load(), CopasiWidget::mpDataModel, mpExperimentSet, and pdelete.

{
  CQExperimentData * pDialog = new CQExperimentData(this);
  pDialog->load(mpExperimentSet, mpDataModel);

  connect(pDialog, SIGNAL(experimentChanged()), mpParameters, SLOT(slotExperimentChanged()));
  connect(pDialog, SIGNAL(experimentChanged()), mpConstraints, SLOT(slotExperimentChanged()));

  pDialog->exec();

  pdelete(pDialog);
}

void CQFittingWidget::slotPageChange ( QWidget *  currentPage )

protectedslot

Definition at line 340 of file CQFittingWidget.cpp.

References mpCurrentList.

{
  if (mpTabWidget->tabText(mpTabWidget->indexOf(currentPage)).contains("Parameters", Qt::CaseSensitive))
    mpCurrentList = mpParameters;
  else
    mpCurrentList = mpConstraints;
}

void CQFittingWidget::slotParameterNumberChanged ( int  number )

slot

Definition at line 372 of file CQFittingWidget.cpp.

Referenced by init().

{
  QString TabLabel = "Parameters (" + QString::number(number) + ")";
  mpTabWidget->setTabText(mpTabWidget->indexOf(mpParameters), TabLabel);
}

bool CQFittingWidget::taskFinishedEvent ( )

protectedvirtual

Reimplemented from TaskWidget.

Definition at line 308 of file CQFittingWidget.cpp.

References ListViews::ADD, CKeyFactory::get(), CCopasiObject::getKey(), CCopasiRootContainer::getKeyFactory(), CCopasiDataModel::getModel(), CModel::getModelParameterSets(), CCopasiObject::getObjectDataModel(), CopasiWidget::mKey, mnParamterSetsBeforeRun, ListViews::MODELPARAMETERSET, CopasiWidget::protectedNotify(), pTask, CCopasiVector< T >::size(), and TaskWidget::taskFinishedEvent().

{
  bool result = TaskWidget::taskFinishedEvent();

  CFitTask * pTask =
    dynamic_cast< CFitTask * >(CCopasiRootContainer::getKeyFactory()->get(mKey));

  if (!pTask) return false;

  size_t finalCount = pTask->getObjectDataModel()->getModel()->getModelParameterSets().size();

  for (size_t i = mnParamterSetsBeforeRun; i < finalCount; ++i)
    {
      protectedNotify(ListViews::MODELPARAMETERSET, ListViews::ADD, pTask->getObjectDataModel()->getModel()->getModelParameterSets()[i]->getKey());
    }

  return true;
}

Member Data Documentation

std::map<std::string, std::string> CQFittingWidget::mCrossValidationKeyMap

protected

Definition at line 45 of file CQFittingWidget.h.

Referenced by loadTask(), and saveTask().

std::map<std::string, std::string> CQFittingWidget::mExperimentKeyMap

protected

Definition at line 43 of file CQFittingWidget.h.

Referenced by loadTask(), and saveTask().

size_t CQFittingWidget::mnParamterSetsBeforeRun

protected

Definition at line 46 of file CQFittingWidget.h.

Referenced by runTask(), and taskFinishedEvent().

CCrossValidationSet* CQFittingWidget::mpCrossValidationSet

protected

Definition at line 44 of file CQFittingWidget.h.

Referenced by destroy(), init(), loadTask(), saveTask(), and slotCrossValidationData().

CQFittingItemWidget* CQFittingWidget::mpCurrentList

protected

Definition at line 41 of file CQFittingWidget.h.

Referenced by init(), and slotPageChange().

CExperimentSet* CQFittingWidget::mpExperimentSet

protected

Definition at line 42 of file CQFittingWidget.h.

Referenced by destroy(), init(), loadTask(), saveTask(), and slotExperimentData().

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

• CQFittingWidget.h
• CQFittingWidget.cpp