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fragSpecDefDlg.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 "fragSpecDefDlg.hpp"
#include "polChemDef.hpp"
#include "polChemDefWnd.hpp"


namespace massXpert
{

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


  void 
  FragSpecDefDlg::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.fragmentationPushButton->setChecked(false);

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

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

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

    settings.endGroup();
  }

  

  FragSpecDefDlg::~FragSpecDefDlg()
  {
  }

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

    // Set all the fragSpecs to the list widget.

    for (int iter = 0; iter < mp_list->size(); ++iter)
      {
      FragSpec *fragSpec = mp_list->at(iter);
      
      m_ui.fragSpecListWidget->addItem(fragSpec->name());
      }

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

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

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

    // The combobox listing the available ends.

    QStringList endList;
    endList << "N/A" << "NE" << "LE" << "RE";
  
    m_ui.fragEndComboBox->addItems(endList);
  

    // Make the connections.

    connect(m_ui.addFragSpecPushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(addFragSpecPushButtonClicked()));
  
    connect(m_ui.removeFragSpecPushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(removeFragSpecPushButtonClicked()));
  
    connect(m_ui.moveUpFragSpecPushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(moveUpFragSpecPushButtonClicked()));
  
    connect(m_ui.moveDownFragSpecPushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(moveDownFragSpecPushButtonClicked()));
  
    connect(m_ui.addFragRulePushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(addFragRulePushButtonClicked()));
  
    connect(m_ui.removeFragRulePushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(removeFragRulePushButtonClicked()));
  
    connect(m_ui.moveUpFragRulePushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(moveUpFragRulePushButtonClicked()));
  
    connect(m_ui.moveDownFragRulePushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(moveDownFragRulePushButtonClicked()));
  
    connect(m_ui.applyFragSpecPushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(applyFragSpecPushButtonClicked()));
  
    connect(m_ui.applyFragRulePushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(applyFragRulePushButtonClicked()));
  
    connect(m_ui.validatePushButton, 
           SIGNAL(clicked()),
           this, 
           SLOT(validatePushButtonClicked()));

    connect(m_ui.fragSpecListWidget, 
           SIGNAL(itemSelectionChanged()),
           this, 
           SLOT(fragSpecListWidgetItemSelectionChanged()));
  
    connect(m_ui.fragRuleListWidget, 
           SIGNAL(itemSelectionChanged()),
           this, 
           SLOT(fragRuleListWidgetItemSelectionChanged()));
  
    return true;
  }


  void 
  FragSpecDefDlg::addFragSpecPushButtonClicked()
  {
    // We are asked to add a new fragSpec. We'll add it right after the
    // current item.
  
    // Returns -1 if the list is empty.
    int index = m_ui.fragSpecListWidget->currentRow();
  
    FragSpec *newFragSpec = new FragSpec(mp_polChemDef,
                                tr("Type Spec Name"),
                                tr("Type Spec Formula"),
                                MXT_FRAG_END_NONE);
  
    mp_list->insert(index, newFragSpec);
    m_ui.fragSpecListWidget->insertItem(index, newFragSpec->name());

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

    // Erase fragRule data that might be left over by precedent current
    // fragSpec.
    updateFragRuleDetails(0);

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


  void 
  FragSpecDefDlg::removeFragSpecPushButtonClicked()
  {
    QList<QListWidgetItem *> selectedList = 
      m_ui.fragSpecListWidget->selectedItems();
  
    if (selectedList.size() != 1)
      return;

    // Get the index of the current fragSpec.
    int index = m_ui.fragSpecListWidget->currentRow();
  
    QListWidgetItem *item = m_ui.fragSpecListWidget->takeItem(index);
    delete item;

    FragSpec *fragSpec = mp_list->takeAt(index);
    Q_ASSERT(fragSpec);
    delete fragSpec;
  
    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 fragSpec that we removed.

    if (m_ui.fragSpecListWidget->count() >= index + 1)
      {
      m_ui.fragSpecListWidget->setCurrentRow(index);
      fragSpecListWidgetItemSelectionChanged();
      }
  
    // If there are no more items in the fragSpec list, remove all the items
    // from the fragRuleList.
  
    if (!m_ui.fragSpecListWidget->count())
      {
      m_ui.fragRuleListWidget->clear();
      clearAllDetails();
      }
  }


  void 
  FragSpecDefDlg::moveUpFragSpecPushButtonClicked()
  {
    // Move the current row to one index less.

    // If no fragSpec is selected, just return.

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

    // Get the index of the fragSpec and the fragSpec itself. 
    int index = m_ui.fragSpecListWidget->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.fragSpecListWidget->takeItem(index);

    m_ui.fragSpecListWidget->insertItem(index - 1, item);
    m_ui.fragSpecListWidget->setCurrentRow(index - 1);
    fragSpecListWidgetItemSelectionChanged();

    setModified();
  }


  void 
  FragSpecDefDlg::moveDownFragSpecPushButtonClicked()
  {
    // Move the current row to one index less.

    // If no fragSpec is selected, just return.

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

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

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

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

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

    setModified();
  }


  void 
  FragSpecDefDlg::addFragRulePushButtonClicked()
  {
    // We are asked to add a new fragRule. We'll add it right after the
    // current item. Note however, that one fragSpec has to be selected.
  
    QList<QListWidgetItem *> selectedList = 
      m_ui.fragSpecListWidget->selectedItems();
  
    if (selectedList.size() != 1)
      {
      QMessageBox::information(this, 
                          tr("massXpert - Fragmentation definition"),
                          tr("Please, select a fragmentation first."),
                          QMessageBox::Ok);
      return;
      }
  
    // Get the index of the current fragSpec so that we know to which fragSpec
    // we'll add the fragRule.
    int index = m_ui.fragSpecListWidget->currentRow();
  
    // What's the actual fragSpec?
    FragSpec *fragSpec = mp_list->at(index);
    Q_ASSERT(fragSpec);

    // Allocate the new fragRule.
    FragRule *newFragRule = new FragRule(mp_polChemDef,
                                tr("Type Rule Name"));
  
    // Get the row index of the current fragRule item. Returns -1 if the
    // list is empty.
    index = m_ui.fragRuleListWidget->currentRow();
  
    m_ui.fragRuleListWidget->insertItem(index, 
                               newFragRule->name());

    // Needed so that the setCurrentRow() call below actually set the
    // current row!
    if (index <= 0)
      index = 0;
  
    fragSpec->ruleList().insert(index, newFragRule);
  
    m_ui.fragRuleListWidget->setCurrentRow(index);

    setModified();

    // Set the focus to the lineEdit that holds the mass of the fragRule.
    m_ui.fragRuleNameLineEdit->setFocus();
    m_ui.fragRuleNameLineEdit->selectAll();
  }


  void 
  FragSpecDefDlg::removeFragRulePushButtonClicked()
  {
    QList<QListWidgetItem *> selectedList = 
      m_ui.fragRuleListWidget->selectedItems();
  
    if (selectedList.size() != 1)
      return;

  
    // Get the index of the current fragSpec so that we know from
    // which fragSpec we'll remove the fragRule.
    int index = m_ui.fragSpecListWidget->currentRow();
  
    FragSpec *fragSpec = mp_list->at(index);
    Q_ASSERT(fragSpec);

    // Get the index of the current fragRule.
    index = m_ui.fragRuleListWidget->currentRow();

    // First remove the item from the listwidget because that will have
    // fragRuleListWidgetItemSelectionChanged() triggered and we have to
    // have the item in the fragRule list in the fragSpec! Otherwise a crash
    // occurs.
    QListWidgetItem *item = m_ui.fragRuleListWidget->takeItem(index);
    delete item;

    // Remove the fragRule from the fragSpec proper.
  
    QList<FragRule *> fragRuleList = fragSpec->ruleList();
  
    FragRule *fragRule = fragRuleList.at(index);
  
    fragSpec->ruleList().removeAt(index);
    delete fragRule;
   
    // 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 fragSpec that we removed.

    if (m_ui.fragRuleListWidget->count() >= index + 1)
      {
      m_ui.fragRuleListWidget->setCurrentRow(index);
      fragRuleListWidgetItemSelectionChanged();
      }
  
    // If there are no more items in the fragRule list, remove all the
    // details.
  
    if (!m_ui.fragRuleListWidget->count())
      {
      updateFragRuleDetails(0);
      }
    else
      {
      }

    setModified();
  }
 

  void 
  FragSpecDefDlg::moveUpFragRulePushButtonClicked()
  {
    // Move the current row to one index less.

    // If no fragRule is selected, just return.

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

    // Get the fragSpec to which the fragRule belongs. 
    int index = m_ui.fragSpecListWidget->currentRow();
    FragSpec *fragSpec = mp_list->at(index);

    // Get the index of the current fragRule item.
    index = m_ui.fragRuleListWidget->currentRow();
  
    // If the item is already at top of list, do nothing.
    if (!index)
      return;
  
    // Get the fragRule itself from the fragSpec.
    FragRule *fragRule = fragSpec->ruleList().at(index);
  
    fragSpec->ruleList().removeAt(index);
    fragSpec->ruleList().insert(index - 1, fragRule);

    QListWidgetItem *item = m_ui.fragRuleListWidget->takeItem(index);
    m_ui.fragRuleListWidget->insertItem(index - 1, item);
    m_ui.fragRuleListWidget->setCurrentRow(index - 1);
    fragRuleListWidgetItemSelectionChanged();

    setModified();
  }


  void 
  FragSpecDefDlg::moveDownFragRulePushButtonClicked()
  {
    // Move the current row to one index less.

    // If no fragRule is selected, just return.

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

    // Get the fragSpec to which the fragRule belongs. 
    int index = m_ui.fragSpecListWidget->currentRow();
    FragSpec *fragSpec = mp_list->at(index);

    // Get the index of the current fragRule item.
    index = m_ui.fragRuleListWidget->currentRow();
  
    // If the item is already at top of list, do nothing.
    if (index == m_ui.fragRuleListWidget->count() - 1)
      return;
  
    // Get the fragRule itself from the fragSpec.
    FragRule *fragRule = fragSpec->ruleList().at(index);

    fragSpec->ruleList().removeAt(index);
    fragSpec->ruleList().insert(index + 1, fragRule);
  
    QListWidgetItem *item = m_ui.fragRuleListWidget->takeItem(index);
    m_ui.fragRuleListWidget->insertItem(index + 1, item);
    m_ui.fragRuleListWidget->setCurrentRow(index + 1);
    fragRuleListWidgetItemSelectionChanged();

    setModified();
  }


  void 
  FragSpecDefDlg::applyFragSpecPushButtonClicked()
  {
    // We are asked to apply the data for the fragSpec.

    // If no fragSpec is selected, just return.

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

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

    FragSpec *fragSpec = mp_list->at(index);
  
    // We do not want more than one fragSpec by the same name.

    QString editName = m_ui.fragSpecNameLineEdit->text();
    QString editFormula = m_ui.fragSpecFormulaLineEdit->text();

    // If a fragSpec is found in the list with the same name, and that
    // fragSpec is not the one that is current in the fragSpec list,
    // then we are making a double entry, which is not allowed.

    int nameRes = FragSpec::isNameInList(editName, *mp_list);
    if (nameRes != -1 && nameRes != index)
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Fragmentation definition"),
                        tr("A fragmentation with same name "
                          "exists already."),
                        QMessageBox::Ok);
      return;
      }

    QString fragEndString = m_ui.fragEndComboBox->currentText();
    MxtFragEnd fragEnd;
  
    if (fragEndString == "NE")
      fragEnd = MXT_FRAG_END_NONE;
    else if (fragEndString == "BE")
      fragEnd = MXT_FRAG_END_BOTH;
    else if (fragEndString == "LE")
      fragEnd = MXT_FRAG_END_LEFT;
    else if (fragEndString == "RE")
      fragEnd = MXT_FRAG_END_RIGHT;
    else
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Fragmentation definition"),
                        tr("The fragmentation end is not correct. "
                          "Choose either 'NE' or 'LE' or 'RE'."),
                        QMessageBox::Ok);
      return;
      }

    // At this point, validate the formula:
  
    Formula formula(editFormula);
  
    if (!formula.validate(mp_polChemDef->atomList()))
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Fragmentation definition"),
                        tr("The formula failed to validate."),
                        QMessageBox::Ok);
      return;
      }

    // At this point, check if the fragmented monomer's side chain
    // should contribute something to the mass of the fragment(usually
    // one would expect that the contribution be negative, that is that
    // the monomer gets decomposed somehow).

    int sideChain = m_ui.sideChainContributionSpinBox->value();
  
    // Now that all data were validated, we can set them all.

    fragSpec->setName(editName);  
    fragSpec->setFragEnd(fragEnd);
    fragSpec->setFormula(editFormula);
    fragSpec->setComment(m_ui.fragSpecCommentLineEdit->text());
    fragSpec->setSideChainContribution(sideChain);

  
    // Update the list widget item.

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

    setModified();
  }


  void 
  FragSpecDefDlg::applyFragRulePushButtonClicked()
  {
    // We are asked to apply the data for the fragRule.

    // If no fragRule is selected, just return.

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

    // Get the fragSpec to which the fragRule belongs. 
    int index = m_ui.fragSpecListWidget->currentRow();
    FragSpec *fragSpec = mp_list->at(index);

    // Get the index of the current fragRule item.
    index = m_ui.fragRuleListWidget->currentRow();
  
    // Get the fragRule itself from the fragSpec.
    FragRule *fragRule = fragSpec->ruleList().at(index);
  
    QString editName = m_ui.fragRuleNameLineEdit->text();
    QString editFormula = m_ui.fragRuleFormulaLineEdit->text();

    QString prevCode = m_ui.prevCodeLineEdit->text();
    QString currCode = m_ui.currCodeLineEdit->text();
    QString nextCode = m_ui.nextCodeLineEdit->text();
  
    // If a fragRule is found in the list with the same name, and that
    // fragRule is not the one that is current in the fragRule list,
    // then we are making a double entry, which is not allowed.

    int nameRes = FragRule::isNameInList(editName, 
                                fragSpec->ruleList());
    if (nameRes != -1 && nameRes != index)
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Fragmentation definition"),
                        tr("A fragmentation rule with same name "
                          "exists already."),
                        QMessageBox::Ok);
      return;
      }

    if (!prevCode.isEmpty())
      {
      const QList<Monomer *> &monomerList = mp_polChemDef->monomerList();
      
      if(Monomer::isCodeInList(prevCode, monomerList) == -1)
        {
          QMessageBox::warning(this, 
                          tr("massXpert - Fragmentation definition"),
                          tr("The previous code is not known."),
                          QMessageBox::Ok);
          return;
        }
      }
  
    if (!currCode.isEmpty())
      {
      const QList<Monomer *> &monomerList = mp_polChemDef->monomerList();
      
      if(Monomer::isCodeInList(currCode, monomerList) == -1)
        {
          QMessageBox::warning(this, 
                          tr("massXpert - Fragmentation definition"),
                          tr("The current code is not known."),
                          QMessageBox::Ok);
          return;
        }
      }
  
    if (!nextCode.isEmpty())
      {
      const QList<Monomer *> &monomerList = mp_polChemDef->monomerList();
      
      if(Monomer::isCodeInList(nextCode, monomerList) == -1)
        {
          QMessageBox::warning(this, 
                          tr("massXpert - Fragmentation definition"),
                          tr("The next code is not known."),
                          QMessageBox::Ok);
          return;
        }
      }
  
    Formula formula(editFormula);
  
    if (!formula.validate(mp_polChemDef->atomList()))
      {
      QMessageBox::warning(this, 
                        tr("massXpert - Fragmentation definition"),
                        tr("The formula failed to validate."),
                        QMessageBox::Ok);
      return;
      }

  
    fragRule->setName(editName);
    fragRule->setFormula(editFormula);

    fragRule->setPrevCode(prevCode);
    fragRule->setCurrCode(currCode);
    fragRule->setNextCode(nextCode);

    fragRule->setComment(m_ui.fragRuleCommentLineEdit->text());
  
    // Update the list widget item.

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

    setModified();
  }


  bool
  FragSpecDefDlg::validatePushButtonClicked()
  {
    QStringList errorList;
  
    // All we have to do is validate the fragSpec 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
    // fragSpec list and the listwidget.
  
    int itemCount = m_ui.fragSpecListWidget->count();
  
    if (itemCount != mp_list->size())
      {
      errorList << QString(tr("\nThe number of fragmentations in "
                          "the list widget \n"
                          "and in the list of fragmentations "
                          "is not identical.\n"));
      
      QMessageBox::warning(this, 
                        tr("massXpert - Fragmentation definition"),
                        errorList.join("\n"),
                        QMessageBox::Ok);
      return false;
      }

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

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


  void 
  FragSpecDefDlg::fragSpecListWidgetItemSelectionChanged()
  {
    // The fragSpec item has changed. Empty the fragRule list and update its
    // contents. Update the details for the fragSpec.

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

    // Get the index of the current fragSpec.
    int index = m_ui.fragSpecListWidget->currentRow();
  
    FragSpec *fragSpec = mp_list->at(index);
    Q_ASSERT(fragSpec);
  
    // Set the data of the fragSpec to their respective widgets.
    updateFragSpecDetails(fragSpec);
  
    // The list of fragRules
    m_ui.fragRuleListWidget->clear();
  
    for (int iter = 0; iter < fragSpec->ruleList().size(); ++iter)
      {
      FragRule *fragRule = fragSpec->ruleList().at(iter);
      
      m_ui.fragRuleListWidget->addItem(fragRule->name());
      }

    if (!m_ui.fragRuleListWidget->count())
      updateFragRuleDetails(0);
    else
      {
      // And now select the first row in the fragRule list widget.
      m_ui.fragRuleListWidget->setCurrentRow(0);
      }
  }


  void 
  FragSpecDefDlg::fragRuleListWidgetItemSelectionChanged()
  {
    // The fragRule item has changed. Update the details for the fragRule.

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

    // Get the index of the current fragSpec.
    int index = m_ui.fragSpecListWidget->currentRow();

    // Find the fragRule object in the list of fragRules.
    FragSpec *fragSpec = mp_list->at(index);
    Q_ASSERT(fragSpec);

    // Get the index of the current fragRule.
    index = m_ui.fragRuleListWidget->currentRow();
  
    // Get the fragRule that is currently selected from the fragSpec's list
    // of fragRules.
    FragRule *fragRule = fragSpec->ruleList().at(index);
    Q_ASSERT(fragRule);
  
    // Set the data of the fragRule to their respective widgets.
    updateFragRuleDetails(fragRule);
  }


  void
  FragSpecDefDlg::updateFragSpecDetails(FragSpec *fragSpec)
  {
    if (fragSpec)
      {
      m_ui.fragSpecNameLineEdit->setText(fragSpec->name());
      m_ui.fragSpecFormulaLineEdit->setText(fragSpec->formula());

      int index = 0;
      
      if(fragSpec->fragEnd() == MXT_FRAG_END_NONE)
        index = m_ui.fragEndComboBox->findText("NE");
      else if (fragSpec->fragEnd() == MXT_FRAG_END_LEFT)
        index = m_ui.fragEndComboBox->findText("LE");
      else if (fragSpec->fragEnd() == MXT_FRAG_END_RIGHT)
        index = m_ui.fragEndComboBox->findText("RE");
      m_ui.fragEndComboBox->setCurrentIndex(index);
      m_ui.sideChainContributionSpinBox->setValue(fragSpec->
                                         sideChainContribution());
      m_ui.fragSpecCommentLineEdit->setText(fragSpec->comment());
      }
    else
      {
      m_ui.fragSpecNameLineEdit->setText("");
      m_ui.fragSpecFormulaLineEdit->setText("");
      int index = m_ui.fragEndComboBox->findText("N/A");
      m_ui.fragEndComboBox->setCurrentIndex(index);
      m_ui.sideChainContributionSpinBox->setValue(0);
      m_ui.fragSpecCommentLineEdit->setText("");
      } 
  }


  void
  FragSpecDefDlg::updateFragRuleDetails(FragRule *fragRule)
  {
    if (fragRule)
      {
      m_ui.fragRuleNameLineEdit->setText(fragRule->name());
      m_ui.fragRuleFormulaLineEdit->setText(fragRule->formula());

      m_ui.prevCodeLineEdit->setText(fragRule->prevCode());
      m_ui.currCodeLineEdit->setText(fragRule->currCode());
      m_ui.nextCodeLineEdit->setText(fragRule->nextCode());
      
      m_ui.fragRuleCommentLineEdit->setText(fragRule->comment());
      }
    else
      {
      m_ui.fragRuleNameLineEdit->setText("");
      m_ui.fragRuleFormulaLineEdit->setText("");

      m_ui.prevCodeLineEdit->setText("");
      m_ui.currCodeLineEdit->setText("");
      m_ui.nextCodeLineEdit->setText("");
      
      m_ui.fragRuleCommentLineEdit->setText("");
      } 
  }


  void
  FragSpecDefDlg::clearAllDetails()
  {
    m_ui.fragSpecNameLineEdit->setText("");
    m_ui.fragSpecFormulaLineEdit->setText("");
    m_ui.sideChainContributionSpinBox->setValue(0);
    int index = m_ui.fragEndComboBox->findText("N/A");
    m_ui.fragEndComboBox->setCurrentIndex(index);
    m_ui.sideChainContributionSpinBox->setValue(0);
    m_ui.fragSpecCommentLineEdit->setText("");

    m_ui.fragRuleNameLineEdit->setText("");
    m_ui.fragRuleFormulaLineEdit->setText("");

    m_ui.prevCodeLineEdit->setText("");
    m_ui.currCodeLineEdit->setText("");
    m_ui.nextCodeLineEdit->setText("");
      
    m_ui.fragRuleCommentLineEdit->setText("");
  }


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


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

} // namespace massXpert

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