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Sourcecode: massxpert version File versions

modifDefDlg.cpp

/* massXpert - the true massist's program.
   --------------------------------------
   Copyright(C) 2006,2007 Filippo Rusconi

   http://www.filomace.org/massXpert

   This file is part of the massXpert project.

   The massxpert project is the successor to the "GNU polyxmass"
   project that is an official GNU project package(see
   www.gnu.org). The massXpert project is not endorsed by the GNU
   project, although it is released ---in its entirety--- under the
   GNU General Public License. A huge part of the code in massXpert
   is actually a C++ rewrite of code in GNU polyxmass. As such
   massXpert was started at the Centre National de la Recherche
   Scientifique(FRANCE), that granted me the formal authorization to
   publish it under this Free Software License.

   This software is free software; you can redistribute it and/or
   modify it under the terms of the GNU  General Public
   License version 3, as published by the Free Software Foundation.
   

   This software is distributed in the hope that it will be useful,
   but WITHOUT ANY WARRANTY; without even the implied warranty of
   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
   General Public License for more details.

   You should have received a copy of the GNU General Public License
   along with this software; if not, write to the

   Free Software Foundation, Inc.,

   51 Franklin St, Fifth Floor, Boston, MA 02110-1301, USA.
*/


/////////////////////// Qt includes
#include <QMessageBox>


/////////////////////// Local includes
#include "application.hpp"
#include "modifDefDlg.hpp"
#include "polChemDef.hpp"
#include "polChemDefWnd.hpp"


namespace massXpert
{

  ModifDefDlg::ModifDefDlg(PolChemDef *polChemDef, 
                      PolChemDefWnd *polChemDefWnd)
  {
    Q_ASSERT(polChemDef);
    mp_polChemDef = polChemDef;
    mp_list = polChemDef->modifListPtr();
  
    Q_ASSERT(polChemDefWnd);
    mp_polChemDefWnd = polChemDefWnd;
  
    if (!initialize())
      {
      qDebug() << "Failed to initialize the modif definition window";
      }
  }


  void 
  ModifDefDlg::closeEvent(QCloseEvent *event)
  {  
    // No real close, because we did not ask that
    // close==destruction. Thus we only hide the dialog remembering its
    // position and size.
  
  
    mp_polChemDefWnd->m_ui.modifPushButton->setChecked(false);

    QSettings settings 
     (static_cast<Application *>(qApp)->configSettingsFilePath(), 
       QSettings::IniFormat);
  
    settings.beginGroup("modif_def_dlg");

    settings.setValue("geometry", saveGeometry());

    settings.setValue("splitter", m_ui.splitter->saveState());

    settings.endGroup();
  }

  

  ModifDefDlg::~ModifDefDlg()
  {
  }

  
  bool
  ModifDefDlg::initialize()
  {
    m_ui.setupUi(this);

    // Set all the modifs to the list widget.

    for (int iter = 0; iter < mp_list->size(); ++iter)
      {
      Modif *modif = mp_list->at(iter);
      
      m_ui.modifListWidget->addItem(modif->name());
      }

    QSettings settings 
     (static_cast<Application *>(qApp)->configSettingsFilePath(), 
       QSettings::IniFormat);
  
    settings.beginGroup("modif_def_dlg");

    restoreGeometry(settings.value("geometry").toByteArray());

    m_ui.splitter->restoreState(settings.value("splitter").toByteArray());
    
    settings.endGroup();


    // Make the connections.

    connect(m_ui.addModifPushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(addModifPushButtonClicked()));
  
    connect(m_ui.removeModifPushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(removeModifPushButtonClicked()));
  
    connect(m_ui.moveUpModifPushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(moveUpModifPushButtonClicked()));
  
    connect(m_ui.moveDownModifPushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(moveDownModifPushButtonClicked()));
  
    connect(m_ui.applyModifPushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(applyModifPushButtonClicked()));
  
    connect(m_ui.validatePushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(validatePushButtonClicked()));

    connect(m_ui.modifListWidget, 
           SIGNAL(itemSelectionChanged()),
           this, 
           SLOT(modifListWidgetItemSelectionChanged()));
  

    return true;
  }


  void 
  ModifDefDlg::addModifPushButtonClicked()
  {
    // We are asked to add a new modif. We'll add it right after the
    // current item.
  
    // Returns -1 if the list is empty.
    int index = m_ui.modifListWidget->currentRow();
  
    Modif *newModif = new Modif(mp_polChemDef,
                         tr("Type Name"),
                         tr("Type Formula"));
  
    mp_list->insert(index, newModif);
    m_ui.modifListWidget->insertItem(index, newModif->name());

    setModified();
  
    // Needed so that the setCurrentRow() call below actually set the
    // current row!
    if (index <= 0)
      index = 0;
  
    m_ui.modifListWidget->setCurrentRow(index);

    // Set the focus to the lineEdit that holds the name of the modif.
    m_ui.nameLineEdit->setFocus();
    m_ui.nameLineEdit->selectAll();
  }


  void 
  ModifDefDlg::removeModifPushButtonClicked()
  {
    QList<QListWidgetItem *> selectedList = 
      m_ui.modifListWidget->selectedItems();
  
    if (selectedList.size() != 1)
      return;

    // Get the index of the current modif.
    int index = m_ui.modifListWidget->currentRow();
  
    // Get a pointer to the modification, as we have to make one
    // check.

    Modif *modif = mp_list->at(index);
    Q_ASSERT(modif);
    
    // It is essential that we check if the modification being removed
    // is already used or not in a cross-linker, as it would not be
    // possible to tolerate this.

    const QList<CrossLinker *> &list = mp_polChemDef->crossLinkerList();
    
    for (int iter = 0; iter < list.size(); ++iter)
      {
      CrossLinker *crossLinker = list.at(iter);
      
      if (crossLinker->hasModif (modif->name()) != -1)
        {
          QString message(tr("A modif with same name is used"
                         " in cross-linker %1.")
                      .arg(crossLinker->name()));
          
          QMessageBox::warning(this, 
                         tr("massXpert - Modif definition"),
                         message,
                         QMessageBox::Ok);
          
          return;
        }
      }
    
    // At this point we know we can delete the modif, after we have
    // removed it from the modification list of the polymer chemistry
    // definition.
    mp_list->removeAt(index);
    delete modif;

    // And the item.
    QListWidgetItem *item = m_ui.modifListWidget->takeItem(index);
    delete item;
    
    setModified();
  
    // If there are remaining items, we want to set the next item the
    // currentItem. If not, then, the currentItem should be the one
    // preceding the modif that we removed.

    if (m_ui.modifListWidget->count() >= index + 1)
      {
      m_ui.modifListWidget->setCurrentRow(index);
      modifListWidgetItemSelectionChanged();
      }
  
    // If there are no more items in the list, remove all the items
    // from the isotopeList.
  
    if (!m_ui.modifListWidget->count())
      {
      clearAllDetails();
      }
  }


  void 
  ModifDefDlg::moveUpModifPushButtonClicked()
  {
    // Move the current row to one index less.

    // If no modif is selected, just return.

    QList<QListWidgetItem *> selectedList = 
      m_ui.modifListWidget->selectedItems();
  
    if (selectedList.size() != 1)
      return;

    // Get the index of the modif and the modif itself. 
    int index = m_ui.modifListWidget->currentRow();

    // If the item is already at top of list, do nothing.
    if (!index)
      return;

    mp_list->move(index, index - 1);

    QListWidgetItem *item = m_ui.modifListWidget->takeItem(index);

    m_ui.modifListWidget->insertItem(index - 1, item);
    m_ui.modifListWidget->setCurrentRow(index - 1);
    modifListWidgetItemSelectionChanged();

    setModified();
  }


  void 
  ModifDefDlg::moveDownModifPushButtonClicked()
  {
    // Move the current row to one index less.

    // If no modif is selected, just return.

    QList<QListWidgetItem *> selectedList = 
      m_ui.modifListWidget->selectedItems();
  
    if (selectedList.size() != 1)
      return;

    // Get the index of the modif and the modif itself. 
    int index = m_ui.modifListWidget->currentRow();

    // If the item is already at bottom of list, do nothing.
    if (index == m_ui.modifListWidget->count() - 1)
      return;

    mp_list->move(index, index + 1);

    QListWidgetItem *item = m_ui.modifListWidget->takeItem(index);
    m_ui.modifListWidget->insertItem(index + 1, item);
    m_ui.modifListWidget->setCurrentRow(index + 1);
    modifListWidgetItemSelectionChanged();

    setModified();
  }


  void 
  ModifDefDlg::applyModifPushButtonClicked()
  {
    // We are asked to apply the data for the modif.

    // If no modif is selected, just return.

    QList<QListWidgetItem *> selectedList = 
      m_ui.modifListWidget->selectedItems();
  
    if (selectedList.size() != 1)
      return;

    // Get the index of the current modif item.
    int index = m_ui.modifListWidget->currentRow();

    Modif *modif = mp_list->at(index);
  
    // We do not want more than one modif by the same name or the same
    // symbol.

    QString editName = m_ui.nameLineEdit->text();

    QString editFormula = m_ui.formulaLineEdit->text();
  
    QString editTargets = m_ui.targetLineEdit->text();

    int maxCount = m_ui.maxCountSpinBox->value();
    
    // If a modif is found in the list with the name string, and that
    // modif is not the one that is current in the modif list, then we
    // are making a double entry, which is not allowed.

    int nameRes = Modif::isNameInList(editName, *mp_list);
    if (nameRes != -1 && nameRes != index)
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Modif definition"),
                        tr("A modif with same name exists already."),
                        QMessageBox::Ok);
      return;
      }
  
    // A modif name cannot have the same name as a crossLinker. This is
    // because the name of the modif cannot clash with the name of a
    // crossLinker when setting the graphical vignette of the
    // modif.
    if (mp_polChemDef->crossLinker(editName))
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Modif definition"),
                        tr("The name of the modification is already "
                          "used by a cross-linker."),
                        QMessageBox::Ok);
      return;
      }
  
    // At this point, validate the formula:
  
    Formula formula(editFormula);
  
    if (!formula.validate(mp_polChemDef->atomList()))
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Modif definition"),
                        tr("The formula failed to validate."),
                        QMessageBox::Ok);
      return;
      }

    // Validate the max count value.

    if (maxCount <= 0)
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Modif definition"),
                        tr("The max count value is invalid."),
                        QMessageBox::Ok);
      return;
      }

    modif->setMaxCount(maxCount);
        
    // Validate the target list.

    Modif tempModif(*modif);

    tempModif.setTargets(editTargets);
  
    if (!tempModif.validateTargets())
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Modif definition"),
                        tr("The targets string is invalid."),
                        QMessageBox::Ok);
      return;
      }
  
    modif->setTargets(tempModif.targets());
  
  
    // Finally we can update the modif's data:
  
    modif->setName(editName);
    modif->setFormula(editFormula);
  
    // Update the list widget item.

    QListWidgetItem *item = m_ui.modifListWidget->currentItem();
    item->setData(Qt::DisplayRole, modif->name());

    setModified();
  }


  bool
  ModifDefDlg::validatePushButtonClicked()
  {
    QStringList errorList;
  
    // All we have to do is validate the modif definition. For that we'll
    // go in the listwidget items one after the other and make sure that
    // everything is fine and that colinearity is perfect between the
    // modif list and the listwidget.
  
    int itemCount = m_ui.modifListWidget->count();
  
    if (itemCount != mp_list->size())
      {
      errorList << QString(tr("\nThe number of modifs in the list widget \n"
                          "and in the list of modifs is not "
                          "identical.\n"));
      
      QMessageBox::warning(this, 
                        tr("massXpert - Modif definition"),
                        errorList.join("\n"),
                        QMessageBox::Ok);
      return false;
      }

    for (int iter = 0; iter < mp_list->size(); ++iter)
      {
      QListWidgetItem *item = m_ui.modifListWidget->item(iter);
      
      Modif *modif = mp_list->at(iter);
      
      if(item->text() != modif->name())
        errorList << QString(tr("\nModif at index %1 has not the same\n"
                            "name as the list widget item at the\n"
                            "same index.\n")
                        .arg(iter));
      
      if(!modif->validate())
        errorList << QString(tr("\nModif at index %1  failed to validate.\n")
                        .arg(iter));
      }

    if (errorList.size())
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Modif definition"),
                        errorList.join("\n"),
                        QMessageBox::Ok);
      return false;
      }
    else
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Modif definition"),
                       ("Validation: success\n"),
                        QMessageBox::Ok);
      }
  
    return true;
  }


  void 
  ModifDefDlg::modifListWidgetItemSelectionChanged()
  {
    // The modif item has changed. Update the details for the modif.

    // The list is a single-item-selection list.
  
    QList<QListWidgetItem *> selectedList = 
      m_ui.modifListWidget->selectedItems();
  
    if (selectedList.size() != 1)
      return;

    // Get the index of the current modif.
    int index = m_ui.modifListWidget->currentRow();
  
    Modif *modif = mp_list->at(index);
    Q_ASSERT(modif);
  
    // Set the data of the modif to their respective widgets.
    updateModifDetails(modif);
  }


  void
  ModifDefDlg::updateModifDetails(Modif *modif)
  {
    if (modif)
      {
      m_ui.nameLineEdit->setText(modif->name());
      m_ui.formulaLineEdit->setText(modif->formula());
      m_ui.targetLineEdit->setText(modif->targets());
      m_ui.maxCountSpinBox->setValue(modif->maxCount());
      }
    else
      clearAllDetails();
  }
  

  void
  ModifDefDlg::clearAllDetails()
  {
    m_ui.nameLineEdit->setText("");
    m_ui.formulaLineEdit->setText("");
    m_ui.targetLineEdit->setText("");
    m_ui.maxCountSpinBox->setValue(1);
  }


  void 
  ModifDefDlg::setModified()
  {
    mp_polChemDefWnd->setWindowModified(true); 
  }


  // VALIDATION
  bool
  ModifDefDlg::validate()
  {
    return validatePushButtonClicked();
  }

} // namespace massXpert

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