preferencesbase.cpp

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/***************************************************************************
                      preferencesbase.cpp  -  description
                             -------------------
    begin                : Sat Aug 10 2002
    copyright            : (C) 2002-2006 by Ben Swerts
    email                : bswerts@users.sourceforge.net
 ***************************************************************************/

/***************************************************************************
 *                                                                         *
 *   This program is free software; you can redistribute it and/or modify  *
 *   it under the terms of the GNU General Public License as published by  *
 *   the Free Software Foundation; either version 2 of the License, or     *
 *   (at your option) any later version.                                   *
 *                                                                         *
 ***************************************************************************/






// C++ header files
#include <cmath>

// Qt header files
#include <qapplication.h>
#include <qbuttongroup.h>
#include <qcheckbox.h>
#include <qcombobox.h>
#include <qfiledialog.h>
#include <qgl.h>
#include <qiconview.h>
#include <qlabel.h>
#include <qlineedit.h>
#include <qlistview.h>
#include <qmessagebox.h>
#include <qpoint.h>
#include <qpushbutton.h>
#include <qradiobutton.h>
#include <qsettings.h>
#include <qsize.h>
#include <qslider.h>
#include <qspinbox.h>
#include <qstring.h>
#include <qstyle.h>
#include <qstylefactory.h>
#include <qvalidator.h>
#include <qwidgetstack.h>

// QextMDI header files
#if defined(USE_KMDI) || defined(USE_KMDI_DLL)
#  include<kmdidefines.h>
#  include <kmdimainfrm.h>
#  define QextMdiMainFrm KMdiMainFrm
#  define QextMdi KMdi
#else
#  include <qextmdidefines.h>
#  include <qextmdimainfrm.h>
#endif

// Xbrabo header files
#include "atomset.h"
#include "basisset.h"
#include "colorbutton.h"
#include "iconsets.h"
#include "latin1validator.h"
#include "paths.h"
#include "preferencesbase.h"
#include "version.h"



PreferencesBase::PreferencesBase(QWidget* parent, const char* name, bool modal, WFlags fl) : PreferencesWidget(parent,name, modal, fl)
{      
  mainWindow = dynamic_cast<QextMdiMainFrm*>(parent); // save the pointer to Xbrabo (main window)
  makeConnections();
  init();
  // STOCK on Windows chokes when a path name is used for the F11= keyword (compiler related)
#ifdef WIN32
  RadioButtonBin1->setChecked(true);
  RadioButtonBin2->setDisabled(true);
  LineEditBin->setDisabled(true);
  ToolButtonBin->setDisabled(true);
#endif
}

PreferencesBase::~PreferencesBase()
{
  saveSettings(); // needed for mainwindow geometry
}

unsigned int PreferencesBase::preferredBasisset() const
{  
  return ComboBoxBasis->currentItem();
}

bool PreferencesBase::useBinDirectory() const
{  
  return RadioButtonBin2->isChecked();
}

GLBaseParameters PreferencesBase::getGLBaseParameters() const
{  
  GLBaseParameters result;
  switch(data.lightPosition)
  {
    case 0: result.lightPositionX = -1.0;
            result.lightPositionY =  1.0;
            break;
    case 1: result.lightPositionX =  0.0;
            result.lightPositionY =  1.0;
            break;
    case 2: result.lightPositionX =  1.0;
            result.lightPositionY =  1.0;
            break;
    case 3: result.lightPositionX = -1.0;
            result.lightPositionY =  0.0;
            break;
    case 4: result.lightPositionX =  0.0;
            result.lightPositionY =  0.0;
            break;
    case 5: result.lightPositionX =  1.0;
            result.lightPositionY =  0.0;
            break;
    case 6: result.lightPositionX = -1.0;
            result.lightPositionY = -1.0;
            break;
    case 7: result.lightPositionX =  0.0;
            result.lightPositionY = -1.0;
            break;
    case 8: result.lightPositionX =  1.0;
            result.lightPositionY = -1.0;
            break;            
  }
  result.lightPositionZ = 1.0;
  result.lightColor = data.lightColor;
  result.materialSpecular = data.materialSpecular;
  result.materialShininess = data.materialShininess;
  result.backgroundColor = data.colorBackgroundGL;
  result.antialias = data.antialias;
  result.smoothShading = data.smoothShading;
  result.depthCue = data.depthCue;
  result.perspectiveProjection = data.perspectiveProjection;
    
  return result;
}

GLMoleculeParameters PreferencesBase::getGLMoleculeParameters() const
{  
  GLMoleculeParameters result;

  if(data.quality < 11)
    result.quality = data.quality;
  else
    result.quality = static_cast<int>(10.0 * pow(1.1, static_cast<int>(data.quality) - 10));
  result.sizeLines = static_cast<GLfloat>(data.sizeLines)*lineWidthGranularity;
  result.sizeBonds = data.sizeBonds.toFloat()/2.0; // diameter -> radius
  result.sizeForces = data.sizeForces.toFloat()/2.0; // diameter -> radius
  result.defaultMoleculeStyle = data.styleMolecule;
  result.defaultForcesStyle = data.styleForces;
  result.fastRenderLimit = data.fastRenderLimit;
  result.showElements = data.showElements;
  result.showNumbers = data.showNumbers;
  result.colorLabels = data.colorLabels;
  result.colorICs = data.colorICs;
  result.colorSelections = data.colorSelections;
  result.opacitySelections = data.opacitySelections;
  result.colorForces = data.colorForces;
  result.forcesOneColor = data.forcesOneColor;
  result.opacityForces = data.opacityForces;

  return result;
}

QStringList PreferencesBase::getPVMHosts() const
{  
  return data.pvmHosts;
}

void PreferencesBase::setToolbarsInfo(const QString& info, const bool status)
{
  toolbarsInfo = info;
  toolbarsStatus = status;
}

void PreferencesBase::getToolbarsInfo(bool& status, QString& info) const
{
  info = toolbarsInfo;
  status = toolbarsStatus;
}



void PreferencesBase::loadSettings()
{
#ifdef Q_OS_WIN32
  const QString appDirBrabo  = "C:\\Program Files\\" + Version::appCompany + "\\BRABO";
  const QString defaultExtension = ".exe";
  const QString basisDir = "C:\\Basissets";
  const QString binDir = "C:\\Temp";
  const QString unixPrefix = "/";
#else
  const QString appDirBrabo  = "/usr/local/bin/brabo";
  const QString defaultExtension = ".x";
  const QString basisDir = "/usr/local/share/" + Version::appName.lower() + "/basissets";
  const QString binDir = "/tmp";
  const QString unixPrefix = "/" + Version::appName.lower() + "/";
#endif
      
  QSettings settings;
  settings.setPath(Version::appCompany, Version::appName.lower(), QSettings::User);

  QString prefix = unixPrefix + "preferences/";

  unsigned int settingsVersion = settings.readNumEntry(unixPrefix + "version", 0);
  
  data.path              = settings.readEntry(prefix + "path", appDirBrabo + QDir::separator());
  data.extension         = settings.readEntry(prefix + "extension", defaultExtension);
  data.executables = settings.readListEntry(prefix + "executables");
  if(static_cast<int>(data.executables.size()) != ListViewExecutables->childCount())
  {
    LineEditPath->setText(data.path);
    LineEditExtension->setText(data.extension);
    updateAllExecutables(); // fills ListViewExecutables with values generated from data.path and data.extension
    saveWidgets(); // saves these values to data.executables
  }                         
  data.binDir            = settings.readEntry(prefix + "bin_dir", binDir);
  data.binInCalcDir      = settings.readBoolEntry(prefix + "bin_in_calc_dir", true);
  data.basissetDir       = settings.readEntry(prefix + "basisset_dir", basisDir);
  data.basisset          = settings.readNumEntry(prefix + "basisset", Basisset::basisToNum("6-31G"));
  data.styleMolecule     = settings.readNumEntry(prefix + "style_molecule", 3); // Ball & Stick
  data.styleForces       = settings.readNumEntry(prefix + "style_forces", 2); // Tubes
  data.fastRenderLimit   = settings.readNumEntry(prefix + "fast_render_limit", 1000);
  data.showElements      = settings.readBoolEntry(prefix + "show_elements", false);
  data.showNumbers       = settings.readBoolEntry(prefix + "show_numbers", true);
  data.sizeLines         = settings.readNumEntry(prefix + "size_lines", static_cast<int>((minLineWidthGL > 1.0f ? minLineWidthGL : 1.0f)/lineWidthGranularity)); // max(1.0, minLineWidthGL) 
  data.sizeBonds         = settings.readEntry(prefix + "size_bonds", QString::number(AtomSet::vanderWaals(1)/2.0));
  data.sizeForces        = settings.readEntry(prefix + "size_forces", QString::number(AtomSet::vanderWaals(1)/2.0*1.1));
  data.colorLabels       = settings.readNumEntry(prefix + "color_labels", QColor(0, 255, 0).rgb()); // green
  data.colorICs          = settings.readNumEntry(prefix + "color_internal_coordinates", QColor(0, 255, 255).rgb()); // cyan
  data.colorBackgroundGL = settings.readNumEntry(prefix + "color_background_gl", 0); // black
  data.colorSelections   = settings.readNumEntry(prefix + "color_selections", QColor(255, 255, 0).rgb()); // yellow
  data.opacitySelections = settings.readNumEntry(prefix + "opacity_selections", 50);
  data.colorForces       = settings.readNumEntry(prefix + "color_forces", QColor(255, 255, 0).rgb()); //yellow
  data.forcesOneColor    = settings.readBoolEntry(prefix + "color_force_type", false); // atom color
  data.opacityForces     = settings.readNumEntry(prefix + "opacity_forces", 100);

  data.backgroundType    = settings.readNumEntry(prefix + "background_type", 0); // default
  data.backgroundImage   = settings.readEntry(prefix + "background_image", QString::null);
  data.backgroundColor   = settings.readNumEntry(prefix + "background_color", QColor(224, 224, 224).rgb()); // Light grey
  data.styleApplication  = settings.readNumEntry(prefix + "style", 0); // Startup style
  
  data.lightPosition     = settings.readNumEntry(prefix + "light_position", 2);
  data.lightColor        = settings.readNumEntry(prefix + "light_color", QColor(255,255,255).rgb());
  data.materialSpecular  = settings.readNumEntry(prefix + "material_specular", 80);
  data.materialShininess = settings.readNumEntry(prefix + "material_shininess", 100);
  data.antialias         = settings.readBoolEntry(prefix + "antialias", true);
  data.smoothShading     = settings.readBoolEntry(prefix + "smooth_shading", true);
  data.depthCue          = settings.readBoolEntry(prefix + "depth_cue", true);
  data.quality           = settings.readNumEntry(prefix + "quality", 22); // 31 slices
  data.perspectiveProjection = settings.readBoolEntry(prefix + "perspective_projection", true);
  data.pvmHosts          = settings.readListEntry(prefix + "pvm_hosts");

  restoreWidgets();
  widgetChanged = false;

  toolbarsInfo = settings.readEntry(unixPrefix + "toolbars/other", QString::null);
  toolbarsStatus = settings.readBoolEntry(unixPrefix + "toolbars/statusbar", true);

  if(settingsVersion == 0)
    saveSettings();
}

void PreferencesBase::saveSettings()
{
  QSettings settings;
  settings.setPath(Version::appCompany, Version::appName.lower(), QSettings::User);

#ifdef Q_OS_WIN32
  QString unixPrefix = "/";
#else
  QString unixPrefix = "/" + Version::appName.lower() + "/";
#endif

  settings.writeEntry(unixPrefix + "version", static_cast<int>(SettingsVersion));
  QString prefix = unixPrefix + "preferences/";
  settings.writeEntry(prefix + "path", data.path);
  settings.writeEntry(prefix + "extension", data.extension);
  settings.writeEntry(prefix + "executables", data.executables);
  settings.writeEntry(prefix + "bin_in_calc_dir", data.binInCalcDir);
  settings.writeEntry(prefix + "bin_dir", data.binDir);
  settings.writeEntry(prefix + "basisset_dir", data.basissetDir);
  settings.writeEntry(prefix + "basisset", static_cast<int>(data.basisset));
  settings.writeEntry(prefix + "style_molecule", static_cast<int>(data.styleMolecule)); 
  settings.writeEntry(prefix + "style_forces", static_cast<int>(data.styleForces)); 
  settings.writeEntry(prefix + "fast_render_limit", data.fastRenderLimit);
  settings.writeEntry(prefix + "show_elements", data.showElements);
  settings.writeEntry(prefix + "show_numbers", data.showNumbers);
  settings.writeEntry(prefix + "size_lines", data.sizeLines);
  settings.writeEntry(prefix + "size_bonds", data.sizeBonds);
  settings.writeEntry(prefix + "size_forces", data.sizeForces);
  settings.writeEntry(prefix + "color_labels", static_cast<int>(data.colorLabels));
  settings.writeEntry(prefix + "color_internal_coordinates", static_cast<int>(data.colorICs));
  settings.writeEntry(prefix + "color_background_gl", static_cast<int>(data.colorBackgroundGL));
  settings.writeEntry(prefix + "color_selections", static_cast<int>(data.colorSelections));
  settings.writeEntry(prefix + "opacity_selections", static_cast<int>(data.opacitySelections));
  settings.writeEntry(prefix + "color_forces", static_cast<int>(data.colorForces));
  settings.writeEntry(prefix + "color_force_type", data.forcesOneColor);
  settings.writeEntry(prefix + "opacity_forces", static_cast<int>(data.opacityForces));
  settings.writeEntry(prefix + "background_type", static_cast<int>(data.backgroundType));
  settings.writeEntry(prefix + "background_image", data.backgroundImage);
  settings.writeEntry(prefix + "background_color", static_cast<int>(data.backgroundColor));
  settings.writeEntry(prefix + "style", static_cast<int>(data.styleApplication));
  settings.writeEntry(prefix + "light_position", static_cast<int>(data.lightPosition));
  settings.writeEntry(prefix + "light_color", static_cast<int>(data.lightColor));
  settings.writeEntry(prefix + "material_specular", static_cast<int>(data.materialSpecular));
  settings.writeEntry(prefix + "material_shininess", static_cast<int>(data.materialShininess));
  settings.writeEntry(prefix + "antialias", data.antialias);
  settings.writeEntry(prefix + "smooth_shading", data.smoothShading);
  settings.writeEntry(prefix + "depth_cue", data.depthCue);
  settings.writeEntry(prefix + "quality", static_cast<int>(data.quality));
  settings.writeEntry(prefix + "perspective_projection", data.perspectiveProjection); 
  settings.writeEntry(prefix + "pvm_hosts", data.pvmHosts);
    
  prefix = unixPrefix + "geometry/";
  settings.writeEntry(prefix + "x", mainWindow->pos().x());
  settings.writeEntry(prefix + "y", mainWindow->pos().y());
  settings.writeEntry(prefix + "width", mainWindow->size().width());
  settings.writeEntry(prefix + "height", mainWindow->size().height());
  settings.writeEntry(prefix + "maximized", mainWindow->isMaximized());
  settings.writeEntry(unixPrefix + "mdi_mode", mainWindow->mdiMode());
  settings.writeEntry(unixPrefix + "toolbars/other", toolbarsInfo);
  settings.writeEntry(unixPrefix + "toolbars/statusbar", toolbarsStatus);
  //settings.writeEntry("/recent", QStringList recentFiles);
}

void PreferencesBase::updateVisuals()
{ 
  switch(data.backgroundType)
  {
    case 0: // default
            mainWindow->setBackgroundPixmap(IconSets::getPixmap(IconSets::Background));
            break;
    case 1: // image
            {
              QPixmap pm(data.backgroundImage);
              if(!pm.isNull())
                mainWindow->setBackgroundPixmap(pm);
              else
                mainWindow->setBackgroundPixmap(IconSets::getPixmap(IconSets::Background));
            }
            break;
    case 2: // single color
            mainWindow->setBackgroundColor(data.backgroundColor);
  }

  updateStyle();
}



void PreferencesBase::accept()
{  
  if(widgetChanged)
  {
    widgetChanged = false;
    saveWidgets();
    saveSettings(); // so CrdView's can be updated without restarting Brabosphere
    updatePaths();
    // Check whether the pvm host list has changed
    if(pvmHostsChanged == true)
    {
      pvmHostsChanged = false;
      emit newPVMHosts(data.pvmHosts);
    }
    PreferencesWidget::accept();
  }
  else
    PreferencesWidget::reject();
}

void PreferencesBase::reject()
{  
  if(widgetChanged)
  {
    widgetChanged = false;
    restoreWidgets();
  }
  PreferencesWidget::reject();
}



void PreferencesBase::changed()
{  
  widgetChanged = true;
}

void PreferencesBase::selectWidget(QIconViewItem* item)
{  
  if(item->text() == tr("BRABO"))
    WidgetStackCategory->raiseWidget(0);
  else if(item->text() == tr("Visuals"))
    WidgetStackCategory->raiseWidget(1);
  else if(item->text() == tr("OpenGL"))
    WidgetStackCategory->raiseWidget(2);
  else if(item->text() == tr("PVM"))
    WidgetStackCategory->raiseWidget(3);
  else if(item->text() == tr("Molecule"))
    WidgetStackCategory->raiseWidget(4);
}

void PreferencesBase::changeExecutable()
{  
  QListViewItem* item = ListViewExecutables->selectedItem();
  if(item == 0)
    return;

  LabelProgram->setText(item->text(0));
  LineEditExecutable->blockSignals(true); // setting the text doesn't change the listview
  LineEditExecutable->setText(item->text(1));
  LineEditExecutable->blockSignals(false);
}

void PreferencesBase::updateExecutable(const QString& text)
{  
  QListViewItem* item = ListViewExecutables->selectedItem();
  if(item == 0)
    return;

  item->setText(1, text);
}

void PreferencesBase::updateAllExecutables()
{  
  ListViewExecutables->findItem("ABC",0)->setText(1,LineEditPath->text()+"abc"+LineEditExtension->text());
  ListViewExecutables->findItem("Achar",0)->setText(1,LineEditPath->text()+"achar"+LineEditExtension->text());
  ListViewExecutables->findItem("AtomSCF",0)->setText(1,LineEditPath->text()+"atomscf"+LineEditExtension->text());
  ListViewExecutables->findItem("AtomSCF_inp",0)->setText(1,LineEditPath->text()+"atomscf_inp"+LineEditExtension->text());
  ListViewExecutables->findItem("AtomSCF_o2d",0)->setText(1,LineEditPath->text()+"atomscf_o2d"+LineEditExtension->text());
  ListViewExecutables->findItem("B112gfchk",0)->setText(1,LineEditPath->text()+"b112gfchk"+LineEditExtension->text());
  ListViewExecutables->findItem("Bios2ped",0)->setText(1,LineEditPath->text()+"bios2ped"+LineEditExtension->text());
  ListViewExecutables->findItem("Brabo",0)->setText(1,LineEditPath->text()+"brabo"+LineEditExtension->text());
  ListViewExecutables->findItem("Buur",0)->setText(1,LineEditPath->text()+"buur"+LineEditExtension->text());
  ListViewExecutables->findItem("Cnvrtaff",0)->setText(1,LineEditPath->text()+"cnvrtaff"+LineEditExtension->text());
  ListViewExecutables->findItem("Crd2gauss",0)->setText(1,LineEditPath->text()+"crd2gauss"+LineEditExtension->text());
  ListViewExecutables->findItem("Crd2xyz",0)->setText(1,LineEditPath->text()+"crd2xyz"+LineEditExtension->text());
  ListViewExecutables->findItem("Diffcrd",0)->setText(1,LineEditPath->text()+"diffcrd"+LineEditExtension->text());
  ListViewExecutables->findItem("Distor",0)->setText(1,LineEditPath->text()+"distor"+LineEditExtension->text());
  ListViewExecutables->findItem("Forkon",0)->setText(1,LineEditPath->text()+"forkon"+LineEditExtension->text());
  ListViewExecutables->findItem("Frex",0)->setText(1,LineEditPath->text()+"frex"+LineEditExtension->text());
  ListViewExecutables->findItem("Gar2ped",0)->setText(1,LineEditPath->text()+"gar2ped"+LineEditExtension->text());
  ListViewExecutables->findItem("Geom",0)->setText(1,LineEditPath->text()+"geom"+LineEditExtension->text());
  ListViewExecutables->findItem("Gfchk2b11",0)->setText(1,LineEditPath->text()+"gfchk2b11"+LineEditExtension->text());
  ListViewExecutables->findItem("Gfchk2crd",0)->setText(1,LineEditPath->text()+"gfchk2crd"+LineEditExtension->text());
  ListViewExecutables->findItem("Gfchk2pun",0)->setText(1,LineEditPath->text()+"gfchk2pun"+LineEditExtension->text());
  ListViewExecutables->findItem("HKL",0)->setText(1,LineEditPath->text()+"hkl"+LineEditExtension->text());
  ListViewExecutables->findItem("Log2crd",0)->setText(1,LineEditPath->text()+"log2crd"+LineEditExtension->text());
  ListViewExecutables->findItem("Maff",0)->setText(1,LineEditPath->text()+"maff"+LineEditExtension->text());
  ListViewExecutables->findItem("Makeden",0)->setText(1,LineEditPath->text()+"makeden"+LineEditExtension->text());
  ListViewExecutables->findItem("Makexit",0)->setText(1,LineEditPath->text()+"makexit"+LineEditExtension->text());
  ListViewExecutables->findItem("Molsplit",0)->setText(1,LineEditPath->text()+"molsplit"+LineEditExtension->text());
  ListViewExecutables->findItem("Out2aff",0)->setText(1,LineEditPath->text()+"out2aff"+LineEditExtension->text());
  ListViewExecutables->findItem("Potdicht",0)->setText(1,LineEditPath->text()+"potdicht"+LineEditExtension->text());
  ListViewExecutables->findItem("Pullarc",0)->setText(1,LineEditPath->text()+"pullarc"+LineEditExtension->text());
  ListViewExecutables->findItem("Refine",0)->setText(1,LineEditPath->text()+"refine"+LineEditExtension->text());
  ListViewExecutables->findItem("Relax",0)->setText(1,LineEditPath->text()+"relax"+LineEditExtension->text());
  ListViewExecutables->findItem("Ring",0)->setText(1,LineEditPath->text()+"ring"+LineEditExtension->text());
  ListViewExecutables->findItem("Spfmap",0)->setText(1,LineEditPath->text()+"spfmap"+LineEditExtension->text());
  ListViewExecutables->findItem("Startvec",0)->setText(1,LineEditPath->text()+"startvec"+LineEditExtension->text());
  ListViewExecutables->findItem("Stock",0)->setText(1,LineEditPath->text()+"stock"+LineEditExtension->text());
  ListViewExecutables->findItem("Symm",0)->setText(1,LineEditPath->text()+"symm"+LineEditExtension->text());
  ListViewExecutables->findItem("Table",0)->setText(1,LineEditPath->text()+"table"+LineEditExtension->text());
  ListViewExecutables->findItem("Xyz2crd",0)->setText(1,LineEditPath->text()+"xyz2crd"+LineEditExtension->text());
  
  changeExecutable(); //update LabelProgram & LineEditExecutable
}

void PreferencesBase::selectBinDir()
{  
  QString dirname = QFileDialog::getExistingDirectory(LineEditBin->text(),this, 0, tr("Choose a directory"));
  if(!dirname.isNull())
    LineEditBin->setText(QDir::convertSeparators(dirname));
}

void PreferencesBase::selectExecutable()
{  
  QString filename = QFileDialog::getOpenFileName(LineEditExecutable->text(), QString::null, this, 0, tr("Choose an executable"));
  if(!filename.isNull())
    LineEditExecutable->setText(QDir::convertSeparators(filename));
}

void PreferencesBase::selectBasisDir()
{  
  QString dirname = QFileDialog::getExistingDirectory(LineEditBasis->text(),this, 0, tr("Choose a directory"));
  if(!dirname.isNull())
    LineEditBasis->setText(QDir::convertSeparators(dirname));
}

void PreferencesBase::selectBackground()
{
  QString filename = QFileDialog::getOpenFileName(LineEditBackground->text(), QString::null, this, 0, tr("Choose an image"));
  if(!filename.isNull())
    LineEditBackground->setText(filename);
}

void PreferencesBase::updateLineEditBondSizeLines()
{
  LineEditBondSizeLines->setText(QString::number(SliderBondSizeLines->value()*lineWidthGranularity));
}

void PreferencesBase::updateLineEditBondSizeTubes()
{  
  LineEditBondSizeTubes->blockSignals(true);
  LineEditBondSizeTubes->setText(QString::number(SliderBondSizeTubes->value()*0.01));
  LineEditBondSizeTubes->blockSignals(false);
}

void PreferencesBase::updateSliderBondSizeTubes()
{  
  SliderBondSizeTubes->blockSignals(true);
  SliderBondSizeTubes->setValue(static_cast<int>(LineEditBondSizeTubes->text().toFloat()/0.01));
  SliderBondSizeTubes->blockSignals(false);
}

void PreferencesBase::updateLineEditForceSizeTubes()
{  
  LineEditForceSizeTubes->blockSignals(true);
  LineEditForceSizeTubes->setText(QString::number(SliderForceSizeTubes->value()*0.01));
  LineEditForceSizeTubes->blockSignals(false);
}

void PreferencesBase::updateSliderForceSizeTubes()
{  
  SliderForceSizeTubes->blockSignals(true);
  SliderForceSizeTubes->setValue(static_cast<int>(LineEditForceSizeTubes->text().toFloat()/0.01));
  SliderForceSizeTubes->blockSignals(false);
}

void PreferencesBase::updateOpacitySelection()
{  
  if(SliderSelectionOpacity->value() == 100)
    TextLabelSelection->setText(QString::number(SliderSelectionOpacity->value()) + " %");
  else
    TextLabelSelection->setText(" " + QString::number(SliderSelectionOpacity->value()) + " %");
}

void PreferencesBase::updateOpacityForces()
{  
  if(SliderForceOpacity->value() == 100)
    TextLabelForce->setText(QString::number(SliderForceOpacity->value()) + " %");
  else
    TextLabelForce->setText(" " + QString::number(SliderForceOpacity->value()) + " %");
}

void PreferencesBase::updateColorButtonForce()
{  
  ColorButtonForce->setEnabled(ComboBoxForceColor->currentItem() == 1);
}

void PreferencesBase::changePVMHost()
{  
  LineEditPVMHosts->blockSignals(true); // so setting the text doesn't change the listview
  if(ListViewPVMHosts->selectedItem() != 0)
  {
    LineEditPVMHosts->setEnabled(true);
    PushButtonPVMHostsDelete->setEnabled(true);
    LineEditPVMHosts->setText(ListViewPVMHosts->selectedItem()->text(0));
  }
  else
  {
    LineEditPVMHosts->setEnabled(false);
    PushButtonPVMHostsDelete->setEnabled(false);
    LineEditPVMHosts->setText(QString::null);
  }
  LineEditPVMHosts->blockSignals(false);
}

void PreferencesBase::updatePVMHost(const QString& text)
{  
  if(ListViewPVMHosts->selectedItem() != 0)
  {
    ListViewPVMHosts->selectedItem()->setText(0, text);
    ListViewPVMHosts->sort();
  }
}

void PreferencesBase::newPVMHost()
{  
  QListViewItem* item =  new QListViewItem(ListViewPVMHosts,tr("host.domain"));
  ListViewPVMHosts->setSelected(item, true);
}

void PreferencesBase::deletePVMHost()
{  
  if(ListViewPVMHosts->selectedItem() != 0)
  {
    delete ListViewPVMHosts->selectedItem();
    changed();
    changedPVM();
    ListViewPVMHosts->setSelected(ListViewPVMHosts->firstChild(), true);
    changePVMHost();
  }
}

void PreferencesBase::changedPVM()
{
  pvmHostsChanged = true;
}



void PreferencesBase::makeConnections()
{  
  connect(IconViewCategory, SIGNAL(selectionChanged(QIconViewItem*)), this, SLOT(selectWidget(QIconViewItem*)));
  
  connect(ButtonOK, SIGNAL(clicked()), this, SLOT(accept()));
  connect(ButtonCancel, SIGNAL(clicked()), this, SLOT(reject()));
  
  connect(ListViewExecutables, SIGNAL(selectionChanged()), this, SLOT(changeExecutable()));
  connect(LineEditExecutable, SIGNAL(textChanged(const QString&)), this, SLOT(updateExecutable(const QString&)));
  connect(PushButtonRename, SIGNAL(clicked()), this, SLOT(updateAllExecutables()));
  connect(ToolButtonBin, SIGNAL(clicked()), this, SLOT(selectBinDir()));
  connect(ToolButtonExecutable, SIGNAL(clicked()), this, SLOT(selectExecutable()));
  connect(ToolButtonBasis, SIGNAL(clicked()), this, SLOT(selectBasisDir()));
  connect(SliderBondSizeLines, SIGNAL(valueChanged(int)), this, SLOT(updateLineEditBondSizeLines()));
  connect(SliderBondSizeTubes, SIGNAL(valueChanged(int)), this, SLOT(updateLineEditBondSizeTubes()));
  connect(LineEditBondSizeTubes, SIGNAL(textChanged(const QString&)), this, SLOT(updateSliderBondSizeTubes()));
  connect(SliderForceSizeTubes, SIGNAL(valueChanged(int)), this, SLOT(updateLineEditForceSizeTubes()));
  connect(LineEditForceSizeTubes, SIGNAL(textChanged(const QString&)), this, SLOT(updateSliderForceSizeTubes()));
  connect(SliderSelectionOpacity, SIGNAL(valueChanged(int)), this, SLOT(updateOpacitySelection()));
  connect(SliderForceOpacity, SIGNAL(valueChanged(int)), this, SLOT(updateOpacityForces()));
  connect(ComboBoxForceColor, SIGNAL(activated(int)), this, SLOT(updateColorButtonForce()));
  connect(ToolButtonBackground, SIGNAL(clicked()), this, SLOT(selectBackground()));
  connect(ListViewPVMHosts, SIGNAL(selectionChanged()), this, SLOT(changePVMHost()));
  connect(LineEditPVMHosts, SIGNAL(textChanged(const QString&)), this, SLOT(updatePVMHost(const QString&)));
  connect(PushButtonPVMHostsNew, SIGNAL(clicked()), this, SLOT(newPVMHost()));
  connect(PushButtonPVMHostsDelete, SIGNAL(clicked()), this, SLOT(deletePVMHost()));
  
  connect(LineEditExecutable, SIGNAL(textChanged(const QString&)), this, SLOT(changed())); // no appropiate signal for ListViewExecutable
  connect(LineEditPath, SIGNAL(textChanged(const QString&)), this, SLOT(changed()));
  connect(LineEditExtension, SIGNAL(textChanged(const QString&)), this, SLOT(changed()));
  connect(PushButtonRename, SIGNAL(clicked()), this, SLOT(changed()));
  connect(ButtonGroupBin, SIGNAL(clicked(int)), this, SLOT(changed()));
  connect(LineEditBin, SIGNAL(textChanged(const QString&)), this, SLOT(changed()));
  connect(LineEditBasis, SIGNAL(textChanged(const QString&)), this, SLOT(changed()));
  connect(ComboBoxBasis, SIGNAL(activated(int)), this, SLOT(changed()));
  connect(ComboBoxMolecule, SIGNAL(activated(int)), this, SLOT(changed()));
  connect(ComboBoxForces, SIGNAL(activated(int)), this, SLOT(changed()));
  connect(SpinBoxFastRender, SIGNAL(valueChanged(int)), this, SLOT(changed()));
  connect(CheckBoxElement, SIGNAL(clicked()), this, SLOT(changed()));
  connect(CheckBoxNumber, SIGNAL(clicked()), this, SLOT(changed()));
  connect(SliderBondSizeLines, SIGNAL(valueChanged(int)), this, SLOT(changed()));
  connect(SliderBondSizeTubes, SIGNAL(valueChanged(int)), this, SLOT(changed()));
  connect(LineEditBondSizeTubes, SIGNAL(textChanged(const QString&)), this, SLOT(changed()));
  connect(SliderForceSizeTubes, SIGNAL(valueChanged(int)), this, SLOT(changed()));
  connect(LineEditForceSizeTubes, SIGNAL(textChanged(const QString&)), this, SLOT(changed()));
  connect(ColorButtonLabel, SIGNAL(newColor(QColor*)), this, SLOT(changed()));
  connect(ColorButtonIC, SIGNAL(newColor(QColor*)), this, SLOT(changed()));
  connect(ColorButtonBackgroundGL, SIGNAL(newColor(QColor*)), this, SLOT(changed()));
  connect(ColorButtonSelection, SIGNAL(newColor(QColor*)), this, SLOT(changed()));
  connect(SliderSelectionOpacity, SIGNAL(valueChanged(int)), this, SLOT(changed()));
  connect(ColorButtonForce, SIGNAL(newColor(QColor*)), this, SLOT(changed()));
  connect(ComboBoxForceColor, SIGNAL(activated(int)), this, SLOT(changed()));
  connect(SliderForceOpacity, SIGNAL(valueChanged(int)), this, SLOT(changed()));
  connect(ButtonGroupBackground, SIGNAL(clicked(int)), this, SLOT(changed()));
  connect(LineEditBackground, SIGNAL(textChanged(const QString&)), this, SLOT(changed()));
  connect(ColorButtonBackground, SIGNAL(newColor(QColor*)), this, SLOT(changed()));
  connect(ComboBoxStyle, SIGNAL(activated(int)), this, SLOT(changed()));
  connect(SliderQuality, SIGNAL(valueChanged(int)), this, SLOT(changed()));
  connect(CheckBoxAA, SIGNAL(clicked()), this, SLOT(changed()));
  connect(CheckBoxSmooth, SIGNAL(clicked()), this, SLOT(changed()));
  connect(CheckBoxDepthCue, SIGNAL(clicked()), this, SLOT(changed()));
  connect(ButtonGroupLightPosition, SIGNAL(clicked(int)), this, SLOT(changed()));
  connect(ColorButtonLight, SIGNAL(newColor(QColor*)), this, SLOT(changed()));
  connect(SliderSpecular, SIGNAL(valueChanged(int)), this, SLOT(changed()));
  connect(SliderShininess, SIGNAL(valueChanged(int)), this, SLOT(changed()));
  connect(ButtonGroupProjection, SIGNAL(clicked(int)), this, SLOT(changed()));
  connect(LineEditPVMHosts, SIGNAL(textChanged(const QString&)), this, SLOT(changed()));
  connect(LineEditPVMHosts, SIGNAL(textChanged(const QString&)), this, SLOT(changedPVM()));
  connect(PushButtonPVMHostsNew, SIGNAL(clicked()), this, SLOT(changed()));
  connect(PushButtonPVMHostsNew, SIGNAL(clicked()), this, SLOT(changedPVM()));
}

void PreferencesBase::init()
{  
  IconViewCategory->setSelected(IconViewCategory->firstItem(), true);  
  ListViewExecutables->setSelected(ListViewExecutables->firstChild(), true);
  ComboBoxBasis->clear();
  for(unsigned int i = 0; i < Basisset::maxBasissets(); i++)
    ComboBoxBasis->insertItem(Basisset::numToBasis(i));
  ComboBoxBasis->setCurrentItem(Basisset::basisToNum("6-31G"));
  QStringList styleList = QStyleFactory::keys();
  styleList.sort();
  ComboBoxStyle->blockSignals(true);
  ComboBoxStyle->clear();
  ComboBoxStyle->insertItem(tr("Startup style") + " (" + QApplication::style().name() + ")");
  for(QStringList::iterator it = styleList.begin(); it != styleList.end(); it++)
    ComboBoxStyle->insertItem(*it);
  ComboBoxStyle->blockSignals(false);
  startupStyleName = QApplication::style().name();

  initOpenGL();
  SliderBondSizeLines->setMinValue(static_cast<int>(minLineWidthGL/lineWidthGranularity));
  SliderBondSizeLines->setMaxValue(static_cast<int>(maxLineWidthGL/lineWidthGranularity));
  SliderBondSizeTubes->setMaxValue(static_cast<int>(AtomSet::vanderWaals(1)/0.01)); // maxsize is H-diameter
  SliderForceSizeTubes->setMaxValue(static_cast<int>(AtomSet::vanderWaals(1)/0.01)); 
  
  QRegExp rx("[-a-zA-Z0-9\\.]+");
  LineEditPVMHosts->setValidator(new QRegExpValidator(rx, this));
  Latin1Validator* v = new Latin1Validator(this);
  LineEditBin->setValidator(v);
  LineEditBasis->setValidator(v);
  v = 0;

  loadSettings();
  updateColorButtonForce();

  for(QIconViewItem* item = IconViewCategory->firstItem(); item; item = item->nextItem())
  {
    if(item->text() == tr("BRABO"))
      item->setPixmap(IconSets::getPixmap(IconSets::BRABO));
    else if(item->text() == tr("Molecule"))
      item->setPixmap(IconSets::getPixmap(IconSets::Molecule));
    else if(item->text() == tr("Visuals"))
      item->setPixmap(IconSets::getPixmap(IconSets::Visuals));
    else if(item->text() == tr("OpenGL"))
      item->setPixmap(IconSets::getPixmap(IconSets::OpenGL));
    else if(item->text() == tr("PVM"))
      item->setPixmap(IconSets::getPixmap(IconSets::PVM));
  }
  ToolButtonExecutable->setIconSet(IconSets::getIconSet(IconSets::Open));
  ToolButtonBin->setIconSet(IconSets::getIconSet(IconSets::Open));
  ToolButtonBasis->setIconSet(IconSets::getIconSet(IconSets::Open));
  ToolButtonBackground->setIconSet(IconSets::getIconSet(IconSets::Open));

  resize(1,1); 
  changeExecutable();
  updatePaths();
  widgetChanged = false;
  pvmHostsChanged = false;
}

void PreferencesBase::initOpenGL()
{
  QGLWidget* testOpenGL = new QGLWidget();
  testOpenGL->makeCurrent();

  GLfloat lwrange[] = {0.0, 0.0};
  GLfloat lwgran[] = {0.0};
  glGetFloatv(GL_LINE_WIDTH_RANGE, lwrange);
  glGetFloatv(GL_LINE_WIDTH_GRANULARITY, lwgran);
  minLineWidthGL = lwrange[0];
  maxLineWidthGL = lwrange[1];
  lineWidthGranularity = lwgran[0];

  /*
  qDebug("Renderer: %s",(const char*)glGetString(GL_RENDERER));
  qDebug("Vendor: %s",(const char*)glGetString(GL_VENDOR));
  qDebug("Version: %s",(const char*)glGetString(GL_VERSION));
  qDebug("Extensions: %s",(const char*)glGetString(GL_EXTENSIONS));
  //*/   

  delete testOpenGL;

}

void PreferencesBase::saveWidgets()
{
  data.executables.clear();
  QListViewItem* item = ListViewExecutables->firstChild();
  while(item != 0)
  {
    data.executables += item->text(1);
    item = item->nextSibling();
  }
  data.path = LineEditPath->text();
  data.extension = LineEditExtension->text();
  data.binInCalcDir = RadioButtonBin1->isChecked();
  data.binDir = LineEditBin->text();
  data.basissetDir = LineEditBasis->text();
  data.basisset = ComboBoxBasis->currentItem();
  
  data.styleMolecule = ComboBoxMolecule->currentItem();
  data.styleForces = ComboBoxForces->currentItem();
  data.fastRenderLimit = SpinBoxFastRender->value();
  data.showElements = CheckBoxElement->isChecked();
  data.showNumbers = CheckBoxNumber->isChecked();
  data.sizeLines = SliderBondSizeLines->value();
  data.sizeBonds = LineEditBondSizeTubes->text();
  data.sizeForces = LineEditForceSizeTubes->text();
  data.colorLabels = ColorButtonLabel->color().rgb();
  data.colorICs = ColorButtonIC->color().rgb();
  data.colorBackgroundGL = ColorButtonBackgroundGL->color().rgb();
  data.colorSelections = ColorButtonSelection->color().rgb();
  data.colorForces = ColorButtonForce->color().rgb();
  data.opacitySelections = SliderSelectionOpacity->value();
  data.opacityForces = SliderForceOpacity->value();
  data.forcesOneColor = ComboBoxForceColor->currentItem() == 1;

  data.backgroundType = ButtonGroupBackground->selectedId();
  data.backgroundImage = LineEditBackground->text();
  data.backgroundColor = ColorButtonBackground->color().rgb();
  data.styleApplication = ComboBoxStyle->currentItem();

  data.quality = SliderQuality->value();
  data.antialias = CheckBoxAA->isChecked();
  data.smoothShading = CheckBoxSmooth->isChecked();
  data.depthCue = CheckBoxDepthCue->isChecked();
  /*for(unsigned int i = 0; i < 9; i++)
  {
    if(ButtonGroupLightPosition->find(i)->isOn())
    {
      data.lightPosition = i;
      break;
    }
  }*/
  data.lightPosition = ButtonGroupLightPosition->selectedId();
  data.lightColor = ColorButtonLight->color().rgb();
  data.materialSpecular = SliderSpecular->value();
  data.materialShininess = SliderShininess->value();
  data.perspectiveProjection = RadioButtonPerspective->isChecked();

  data.pvmHosts.clear();
  item = ListViewPVMHosts->firstChild();
  while(item != 0)
  {
    data.pvmHosts += item->text(0);
    item = item->nextSibling();
  }

}

void PreferencesBase::restoreWidgets()
{  
  QListViewItem* item = ListViewExecutables->firstChild();
  {
    for(QStringList::Iterator it = data.executables.begin(); it != data.executables.end(); it++)
    {
      if(item == 0)
        break;  // more values than ListViewItems
      item->setText(1,*it);
      item = item->nextSibling();
    }  
  }
  LineEditPath->setText(data.path);
  LineEditExtension->setText(data.extension);
  RadioButtonBin1->setChecked(data.binInCalcDir);
  RadioButtonBin2->setChecked(!data.binInCalcDir);
  LineEditBin->setText(data.binDir);
  LineEditBasis->setText(data.basissetDir);
  ComboBoxBasis->setCurrentItem(data.basisset);
  
  ComboBoxMolecule->setCurrentItem(data.styleMolecule);
  ComboBoxForces->setCurrentItem(data.styleForces);
  SpinBoxFastRender->setValue(data.fastRenderLimit);
  CheckBoxElement->setChecked(data.showElements);
  CheckBoxNumber->setChecked(data.showNumbers);
  SliderBondSizeLines->setValue(data.sizeLines);
    updateLineEditBondSizeLines(); // needed?
  LineEditBondSizeTubes->setText(data.sizeBonds);
    updateSliderBondSizeTubes();
  LineEditForceSizeTubes->setText(data.sizeForces);
    updateSliderForceSizeTubes();
  ColorButtonLabel->setColor(data.colorLabels);
  ColorButtonIC->setColor(data.colorICs);
  ColorButtonBackgroundGL->setColor(data.colorBackgroundGL);
  ColorButtonSelection->setColor(data.colorSelections);
  ColorButtonForce->setColor(data.colorForces);
  SliderSelectionOpacity->setValue(data.opacitySelections);
  SliderForceOpacity->setValue(data.opacityForces);
  ComboBoxForceColor->setCurrentItem(data.forcesOneColor ? 1 : 0);

  ButtonGroupBackground->setButton(data.backgroundType);
  LineEditBackground->setText(data.backgroundImage);
  ColorButtonBackground->setColor(data.backgroundColor);
  ComboBoxStyle->setCurrentItem(data.styleApplication);

  SliderQuality->setValue(data.quality);
  CheckBoxAA->setChecked(data.antialias);
  CheckBoxSmooth->setChecked(data.smoothShading);
  CheckBoxDepthCue->setChecked(data.depthCue);
  ButtonGroupLightPosition->setButton(data.lightPosition);
  ColorButtonLight->setColor(QColor(data.lightColor));
  SliderSpecular->setValue(data.materialSpecular);
  SliderShininess->setValue(data.materialShininess);
  ButtonGroupProjection->setButton(data.perspectiveProjection ? 0 : 1);

  ListViewPVMHosts->clear();
  { for(QStringList::Iterator it = data.pvmHosts.begin(); it != data.pvmHosts.end(); it++)
      new QListViewItem(ListViewPVMHosts, *it); }
  if(!data.pvmHosts.isEmpty())
    ListViewPVMHosts->setSelected(ListViewPVMHosts->firstChild(), true);  
  changePVMHost();
}

void PreferencesBase::updateStyle()
{  
  qDebug("Calling PreferencesBase::updateStyle");
  qDebug("currentStyle = " + QString(QApplication::style().name()));    
  if(ComboBoxStyle->currentItem() == 0)
  {
    if(QString(QApplication::style().name()).lower() != startupStyleName.lower())
    {
      qDebug("About to revert to the startup style");      
      QApplication::setStyle(startupStyleName);
    }
  }
  else
  {
    qDebug("About to change the style to "+ComboBoxStyle->currentText());
    QApplication::setStyle(ComboBoxStyle->currentText());
  }
}

void PreferencesBase::updatePaths()
{
  Paths::abc         = QDir::convertSeparators(ListViewExecutables->findItem("ABC", 0)->text(1));
  Paths::achar       = QDir::convertSeparators(ListViewExecutables->findItem("Achar",0)->text(1));
  Paths::atomscf     = QDir::convertSeparators(ListViewExecutables->findItem("AtomSCF",0)->text(1));
  Paths::atomscf_inp = QDir::convertSeparators(ListViewExecutables->findItem("AtomSCF_inp",0)->text(1));
  Paths::atomscf_o2d = QDir::convertSeparators(ListViewExecutables->findItem("AtomSCF_o2d",0)->text(1));
  Paths::b112gfchk   = QDir::convertSeparators(ListViewExecutables->findItem("B112gfchk",0)->text(1));
  Paths::bios2ped    = QDir::convertSeparators(ListViewExecutables->findItem("Bios2ped",0)->text(1));
  Paths::brabo       = QDir::convertSeparators(ListViewExecutables->findItem("Brabo",0)->text(1));
  Paths::buur        = QDir::convertSeparators(ListViewExecutables->findItem("Buur",0)->text(1));
  Paths::cnvrtaff    = QDir::convertSeparators(ListViewExecutables->findItem("Cnvrtaff",0)->text(1));
  Paths::crd2gauss   = QDir::convertSeparators(ListViewExecutables->findItem("Crd2gauss",0)->text(1));
  Paths::crd2xyz     = QDir::convertSeparators(ListViewExecutables->findItem("Crd2xyz",0)->text(1));
  Paths::diffcrd     = QDir::convertSeparators(ListViewExecutables->findItem("Diffcrd",0)->text(1));
  Paths::distor      = QDir::convertSeparators(ListViewExecutables->findItem("Distor",0)->text(1));
  Paths::forkon      = QDir::convertSeparators(ListViewExecutables->findItem("Forkon",0)->text(1));
  Paths::frex        = QDir::convertSeparators(ListViewExecutables->findItem("Frex",0)->text(1));
  Paths::gar2ped     = QDir::convertSeparators(ListViewExecutables->findItem("Gar2ped",0)->text(1));
  Paths::geom        = QDir::convertSeparators(ListViewExecutables->findItem("Geom",0)->text(1));
  Paths::gfchk2b11   = QDir::convertSeparators(ListViewExecutables->findItem("Gfchk2b11",0)->text(1));
  Paths::gfchk2crd   = QDir::convertSeparators(ListViewExecutables->findItem("Gfchk2crd",0)->text(1));
  Paths::gfchk2pun   = QDir::convertSeparators(ListViewExecutables->findItem("Gfchk2pun",0)->text(1));
  Paths::hkl         = QDir::convertSeparators(ListViewExecutables->findItem("HKL",0)->text(1));
  Paths::log2crd     = QDir::convertSeparators(ListViewExecutables->findItem("Log2crd",0)->text(1));
  Paths::maff        = QDir::convertSeparators(ListViewExecutables->findItem("Maff",0)->text(1));
  Paths::makeden     = QDir::convertSeparators(ListViewExecutables->findItem("Makeden",0)->text(1));
  Paths::makexit     = QDir::convertSeparators(ListViewExecutables->findItem("Makexit",0)->text(1));
  Paths::molsplit    = QDir::convertSeparators(ListViewExecutables->findItem("Molsplit",0)->text(1));
  Paths::out2aff     = QDir::convertSeparators(ListViewExecutables->findItem("Out2aff",0)->text(1));
  Paths::potdicht    = QDir::convertSeparators(ListViewExecutables->findItem("Potdicht",0)->text(1));
  Paths::pullarc     = QDir::convertSeparators(ListViewExecutables->findItem("Pullarc",0)->text(1));
  Paths::refine      = QDir::convertSeparators(ListViewExecutables->findItem("Refine",0)->text(1));
  Paths::relax       = QDir::convertSeparators(ListViewExecutables->findItem("Relax",0)->text(1));
  Paths::ring        = QDir::convertSeparators(ListViewExecutables->findItem("Ring",0)->text(1));
  Paths::spfmap      = QDir::convertSeparators(ListViewExecutables->findItem("Spfmap",0)->text(1));
  Paths::startvec    = QDir::convertSeparators(ListViewExecutables->findItem("Startvec",0)->text(1));
  Paths::stock       = QDir::convertSeparators(ListViewExecutables->findItem("Stock",0)->text(1));
  Paths::symm        = QDir::convertSeparators(ListViewExecutables->findItem("Symm",0)->text(1));
  Paths::table       = QDir::convertSeparators(ListViewExecutables->findItem("Table",0)->text(1));
  Paths::xyz2crd     = QDir::convertSeparators(ListViewExecutables->findItem("Xyz2crd",0)->text(1));

  if(RadioButtonBin2->isChecked())
    Paths::bin = LineEditBin->text();
  else
    Paths::bin = QString::null;  
  Paths::basisset = LineEditBasis->text();

  Paths::bin = QDir::convertSeparators(QDir::cleanDirPath(Paths::bin));
  Paths::basisset = QDir::convertSeparators(QDir::cleanDirPath(Paths::basisset));
}

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