Example #1
0
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();
}
Example #2
0
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;
}
Example #3
0
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;
}