void CQExperimentData::slotOK()
{
mpBtnOK->setFocus();
// Force the save all current changes.
slotExperimentChanged(NULL, NULL);
CExperiment * pExperiment;
size_t i = mpExperimentSet->getExperimentCount() - 1;
for (; i != C_INVALID_INDEX; i--)
{
pExperiment =
dynamic_cast<CExperiment *>(CCopasiRootContainer::getKeyFactory()->get(mKeyMap[mpExperimentSet->getExperiment(i)->CCopasiParameter::getKey()]));
if (pExperiment)
{
*mpExperimentSet->getExperiment(i) = *pExperiment;
mpExperimentSetCopy->removeParameter(pExperiment->getObjectName());
}
else
mpExperimentSet->removeExperiment(i);
}
emit experimentChanged();
for (i = 0; i < mpExperimentSetCopy->getExperimentCount(); i++)
mpExperimentSet->addExperiment(*mpExperimentSetCopy->getExperiment(i));
#ifdef COPASI_CROSSVALIDATION
if (mCrossValidation)
{
CCrossValidationSet * pSet = static_cast< CCrossValidationSet * >(mpExperimentSet);
if (QString::number(pSet->getWeight()) != mpEditWeight->text())
{
pSet->setWeight(mpEditWeight->text().toDouble());
}
if (QString::number(pSet->getThreshold()) != mpEditThreshold->text())
{
pSet->setThreshold(mpEditThreshold->text().toUInt());
}
}
#endif // COPASI_CROSSVALIDATION
pdelete(mpExperimentSetCopy);
accept();
}
bool CQFittingWidget::saveTask()
{
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(mpDataModel != NULL);
if (mChanged) mpDataModel->changed();
mChanged = false;
return true;
}
bool CQFittingWidget::loadTask()
{
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, NO_PARENT);
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, NO_PARENT);
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;
}