Changeset 7f1b51 for src/UIElements

Timestamp:

Sep 15, 2014, 3:05:28 PM (11 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, Candidate_v1.7.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

7e1a88

Parents:

b73545 (diff), 8859b5 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'GUI_Fixes' into stable

Location:

src/UIElements

Files:

• CommandLineUI/CommandLineDialog.cpp (modified) (1 diff)
• CommandLineUI/CommandLineDialog.hpp (modified) (1 diff)
• CommandLineUI/CommandLineUIFactory.cpp (modified) (1 diff)
• CommandLineUI/CommandLineUIFactory.hpp (modified) (1 diff)
• Dialog.cpp (modified) (2 diffs)
• Dialog.hpp (modified) (1 diff)
• Makefile.am (modified) (2 diffs)
• Menu/Menu.cpp (modified) (1 diff)
• Menu/Menu.hpp (modified) (1 diff)
• Menu/Qt4/QMenu_tooltip.hpp (added)
• Menu/Qt4/QtMenu.hpp (modified) (3 diffs)
• Qt4/QtDialog.cpp (modified) (1 diff)
• Qt4/QtDialog.hpp (modified) (1 diff)
• Qt4/QtMainWindow.cpp (modified) (1 diff)
• Qt4/QtUIFactory.cpp (modified) (1 diff)
• Qt4/QtUIFactory.hpp (modified) (1 diff)
• Qt4/Query/AtomsQtQuery.cpp (modified) (1 diff)
• Qt4/Query/DoublesQtQuery.cpp (modified) (1 diff)
• Qt4/Query/ElementsQtQuery.cpp (modified) (1 diff)
• Qt4/Query/FileQtQuery.cpp (modified) (5 diffs)
• Qt4/Query/FilesQtQuery.cpp (modified) (1 diff)
• Qt4/Query/IntsQtQuery.cpp (modified) (1 diff)
• Qt4/Query/MoleculesQtQuery.cpp (modified) (1 diff)
• Qt4/Query/QtQuery.hpp (modified) (1 diff)
• Qt4/Query/QtQueryList.hpp (modified) (1 diff)
• Qt4/Query/StringsQtQuery.cpp (modified) (1 diff)
• Qt4/Query/UnsignedIntsQtQuery.cpp (modified) (1 diff)
• Qt4/Query/VectorsQtQuery.cpp (modified) (1 diff)
• TextUI/TextDialog.cpp (modified) (1 diff)
• TextUI/TextDialog.hpp (modified) (1 diff)
• TextUI/TextUIFactory.cpp (modified) (1 diff)
• TextUI/TextUIFactory.hpp (modified) (1 diff)
• UIFactory.hpp (modified) (1 diff)
• Views/Qt4/Plotting/QSeisPlot.cpp (modified) (1 diff)
• Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp (modified) (3 diffs)
• Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp (modified) (2 diffs)
• Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp (modified) (2 diffs)
• Views/Qt4/Qt3D/GLMoleculeObject_shape.cpp (modified) (1 diff)
• Views/Qt4/Qt3D/GLWorldScene.cpp (modified) (4 diffs)
• Views/Qt4/Qt3D/GLWorldScene.hpp (modified) (3 diffs)
• Views/Qt4/Qt3D/GLWorldView.cpp (modified) (2 diffs)
• Views/Qt4/Qt3D/GLWorldView.hpp (modified) (1 diff)
• Views/Qt4/QtHomologyList.cpp (modified) (4 diffs)
• Views/Qt4/QtMoleculeList.cpp (modified) (1 diff)
• Views/Qt4/QtToolBar.cpp (modified) (2 diffs)
• Views/Qt4/QtToolBar.hpp (modified) (2 diffs)
• Views/Qt4/QtToolBar_QtFavoriteActions.cpp (added)

src/UIElements/CommandLineUI/CommandLineDialog.cpp

@@ -42 +42 @@
 
 
-CommandLineDialog::CommandLineDialog()
+CommandLineDialog::CommandLineDialog(const std::string &_title) :
+    Dialog(_title)
 {
 }

src/UIElements/CommandLineUI/CommandLineDialog.hpp

@@ -30 +30 @@
 {
 public:
-  CommandLineDialog();
+  CommandLineDialog(const std::string &_title);
   virtual ~CommandLineDialog();
 

src/UIElements/CommandLineUI/CommandLineUIFactory.cpp

@@ -52 +52 @@
 
 
-Dialog* CommandLineUIFactory::makeDialog() {
-  return new CommandLineDialog();
+Dialog* CommandLineUIFactory::makeDialog(const std::string &_title) {
+  return new CommandLineDialog(_title);
 }
 

src/UIElements/CommandLineUI/CommandLineUIFactory.hpp

@@ -48 +48 @@
   virtual ~CommandLineUIFactory();
 
-  virtual Dialog* makeDialog();
+  virtual Dialog* makeDialog(const std::string &_title);
   virtual MainWindow* makeMainWindow();
 

src/UIElements/Dialog.cpp

@@ -50 +50 @@
 using namespace std;
 
-Dialog::Dialog()
+Dialog::Dialog(const std::string &_title)
 {
 }
@@ -120 +120 @@
 
 bool Dialog::hasQueries(){
-  return queries.size();
+  list<Query*>::iterator iter;
+  size_t nonemptyQueries = 0;
+  for(iter=queries.begin(); iter!=queries.end(); iter++) {
+    // count all queries that not EmptyQuery
+    if (dynamic_cast<Dialog::EmptyQuery *>(*iter) == NULL)
+      ++nonemptyQueries;
+  }
+  return nonemptyQueries != 0;
 }
 

src/UIElements/Dialog.hpp

@@ -153 +153 @@
 {
 public:
-  Dialog();
+  Dialog(const std::string &_title);
   virtual ~Dialog();
 

src/UIElements/Makefile.am

@@ -179 +179 @@
   UIElements/Views/Qt4/QtTimeLine.cpp \
   UIElements/Views/Qt4/QtToolBar.cpp \
+  UIElements/Views/Qt4/QtToolBar_QtFavoriteActions.cpp \
   UIElements/Views/Qt4/Qt3D/GLWorldView.cpp \
   UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp \
@@ -192 +193 @@
   UIElements/Qt4/QtMainWindow.hpp \
   UIElements/Qt4/Query/QtQuery.hpp \
+  UIElements/Menu/Qt4/QMenu_tooltip.hpp \
   UIElements/Menu/Qt4/QtMenuPipe.hpp \
   UIElements/Views/Qt4/QDebugStream.hpp \

src/UIElements/Menu/Menu.cpp

@@ -130 +130 @@
     if (MenuName == name) {
       const std::string &ActionName = *iter;
-      Menu::addAction(ActionName);
+      const std::string &ActionDescription = CurrentTrait.getDescription();
+      Menu::addAction(ActionName, ActionDescription);
     }
   }
 }
 
-void Menu::addAction(const std::string &ActionName)
+void Menu::addAction(const std::string &ActionName, const std::string &ActionDescription)
 {
   LastItem = ActionItem;
-  addActionItem(ActionName, ActionName);
+  addActionItem(ActionName, ActionDescription);
 }
 

src/UIElements/Menu/Menu.hpp

@@ -61 +61 @@
 
 protected:
-  // Unique name of the menu for identification.
+  //!> Unique name of the menu for identification.
   const std::string name;
 
-  // populater function that adds all menu items
+  /** populater function that adds all menu items.
+   *
+   */
   void populate();
+
+  /** Populater function for all Actions in this menu.
+   *
+   */
   void populateActions();
 
 private:
-  void addAction(const std::string &ActionName);
+  /** Adds an action to this menu.
+   *
+   * @param ActionName name of action
+   * @param ActionDescription of the action (e.g. for tooltips)
+   */
+  void addAction(const std::string &ActionName, const std::string &ActionDescription);
+
+  /** Adds a separator (e.g. horizontal line) to menu.
+   *
+   */
   void addSeparator();
+
+  /** Adds a submenu to this menu.
+   *
+   * @param MenuName name of submenu
+   * @param MenuPosition position in sequence of items of submenu
+   */
   void addSubmenu(const std::string &MenuName, const int MenuPosition);
+
+  /** Checks whether an item named \a token exists in this menu.
+   *
+   * @param token name of action of submenu
+   * @return true - item exists, false - item does not exist in this menu
+   */
   bool isPresent(const std::string &token);
 
+  //!> enumeration of all valid item types
   enum ItemType {ActionItem, MenuItem, SeparatorItem, NoItem};
 
-  int TopPosition;  // current position to add
-  enum ItemType LastItem;  // check whether separator followed separator
-  std::set <std::string> DuplicatesList;  // is used to check for duplicates
+  //!> current position to add
+  int TopPosition;
+  //!> check whether separator followed separator
+  enum ItemType LastItem;
+  //!> is used to check for duplicates
+  std::set <std::string> DuplicatesList;
 };
 

src/UIElements/Menu/Qt4/QtMenu.hpp

@@ -16 +16 @@
 
 #include <Qt/qaction.h>
+
+#include "Menu/Qt4/QMenu_tooltip.hpp"
 
 #include <iostream>
@@ -103 +105 @@
   virtual void addActionItem(const std::string &token, const std::string &description)
   {
-    QAction *action = MenuInstance->addAction(QString(getNameWithAccelerator(description).c_str()));
+    QAction *action = MenuInstance->addAction(QString(getNameWithAccelerator(token).c_str()));
+    action->setToolTip(QString(description.c_str()));
+    action->setWhatsThis(QString(description.c_str()));
     QtMenuPipe *pipe = new QtMenuPipe(token,action);
     QObject::connect(action, SIGNAL(triggered()),pipe,SLOT(called()));
@@ -116 +120 @@
   virtual void addSubmenuItem(const std::string &token, const std::string &description)
   {
-    QMenu *Menu = MenuInstance->addMenu(QString(token.c_str()));
-    QtMenu<QMenu> *NewMenu = new QtMenu<QMenu>(Menu, token);
+    QMenu_tooltip *Menu = new QMenu_tooltip(QString(token.c_str()));
+    MenuInstance->addMenu(Menu);
+    QtMenu<QMenu_tooltip> *NewMenu = new QtMenu<QMenu_tooltip>(Menu, token);
     NewMenu->init();
   }

src/UIElements/Qt4/QtDialog.cpp

@@ -45 +45 @@
 using namespace std;
 
-QtDialog::QtDialog() :
-    QDialog(0)
-{
+QtDialog::QtDialog(const std::string &_title) :
+    QDialog(0),
+    Dialog(_title)
+{
+  setWindowTitle(QString(_title.c_str()));
   // creating and filling of the Dialog window
   mainLayout = new QVBoxLayout();

src/UIElements/Qt4/QtDialog.hpp

@@ -30 +30 @@
   Q_OBJECT
 public:
-  QtDialog();
+  QtDialog(const std::string &_title);
   virtual ~QtDialog();
 

src/UIElements/Qt4/QtMainWindow.cpp

@@ -116 +116 @@
   toolbar = new QtToolBar(this);
   glWorldView->addToolBarActions(toolbar);
+  toolbar->addFavoriteActionItems(20);
   addToolBar(toolbar);
 

src/UIElements/Qt4/QtUIFactory.cpp

@@ -67 +67 @@
 }
 
-Dialog* QtUIFactory::makeDialog() {
-  return new QtDialog();
+Dialog* QtUIFactory::makeDialog(const std::string &_title) {
+  return new QtDialog(_title);
 }
 

src/UIElements/Qt4/QtUIFactory.hpp

@@ -26 +26 @@
   virtual ~QtUIFactory();
 
-  virtual Dialog* makeDialog();
+  virtual Dialog* makeDialog(const std::string &_title);
   virtual MainWindow* makeMainWindow();
 

src/UIElements/Qt4/Query/AtomsQtQuery.cpp

@@ -47 +47 @@
     QtQueryList<const atom *>(_param, _parent, _dialog, temp)
 {
-  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this);
+  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this, _title);
   subQuery = new AtomQtQuery(*subParam, _title, _description, thisVLayout, subDialog);
   subDialog->setSubQuery(subQuery);

src/UIElements/Qt4/Query/DoublesQtQuery.cpp

@@ -47 +47 @@
     QtQueryList<double>(_param, _parent, _dialog, temp)
 {
-  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this);
+  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this, _title);
   subQuery = new DoubleQtQuery(*subParam, _title, _description, thisVLayout, subDialog);
   subDialog->setSubQuery(subQuery);

src/UIElements/Qt4/Query/ElementsQtQuery.cpp

@@ -48 +48 @@
     QtQueryList<const element *>(_param, _parent, _dialog, temp)
 {
-  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this);
+  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this, _title);
   subQuery = new ElementQtQuery(*subParam, _title, _description, thisVLayout, subDialog);
   subDialog->setSubQuery(subQuery);

src/UIElements/Qt4/Query/FileQtQuery.cpp

@@ -45 +45 @@
 #include "UIElements/Qt4/Query/QtQuery.hpp"
 
+#include <algorithm>
+#include <boost/filesystem.hpp>
+
+#include "Parameters/Validators/getFlatListFromHierarchyOfValidators.hpp"
+#include "Parameters/Validators/Validator.hpp"
+#include "Parameters/Validators/Specific/FilePresentValidator.hpp"
+#include "Parameters/Validators/Specific/FileSuffixValidator.hpp"
+#include "Parameters/Validators/Specific/ParserFileValidator.hpp"
 #include "Parser/ParserTypes.hpp"
 #include "Parser/FormatParserStorage.hpp"
@@ -51 +59 @@
     QtQuery<boost::filesystem::path>(_param, _title, _description),
     parent(_parent),
-    dialog(_dialog)
+    dialog(_dialog),
+    mustBePresent(false)
 {
   filenameLineEdit = new QLineEdit();
@@ -57 +66 @@
   filenameLineEdit->setReadOnly(true);
 
-  filenameLabel = new QLabel(QString("Input file:"));
+  filenameLabel = new QLabel(QString(_title.c_str()));
   filenameLabel->setBuddy(filenameLineEdit);
   filenameLabel->setToolTip(QString(getDescription().c_str()));
@@ -71 +80 @@
 
   QObject::connect(filedialogButton,SIGNAL(clicked()),this,SLOT(showFileDialog()));
+
+  // fill list of suffixes
+  const Validator<boost::filesystem::path> &validator =
+      _param.getValidator();
+  typedef std::vector<std::pair<const Validator<boost::filesystem::path> *, bool> > validators_t;
+  const validators_t validators =
+      getFlatListFromHierarchyOfValidators<boost::filesystem::path>(validator);
+  for (validators_t::const_iterator iter = validators.begin();
+      iter != validators.end(); ++iter) {
+    const Validator< boost::filesystem::path > &currentvalidator = *iter->first;
+    if (dynamic_cast<const FileSuffixValidator * const>(&currentvalidator) != NULL)
+      suffixes.push_back(dynamic_cast<const FileSuffixValidator &>(currentvalidator).getSuffix());
+    if (dynamic_cast<const ParserFileValidator * const>(&currentvalidator) != NULL) {
+      const std::vector<std::string> moresuffixes =
+          dynamic_cast<const ParserFileValidator &>(currentvalidator).getSuffixes();
+      suffixes.insert(suffixes.end(), moresuffixes.begin(), moresuffixes.end());
+    }
+    if (dynamic_cast<const FilePresentValidator * const>(&currentvalidator) != NULL)
+      mustBePresent = iter->second;
+  }
+  std::sort(suffixes.begin(), suffixes.end());
 }
 
@@ -93 +123 @@
     // gather all possible suffixes
     QStringList filters;
-    std::stringstream parsersuffixes;
-    parsersuffixes << std::string("Config files (");
-    for (ParserTypes t = ParserTypes_begin; t < ParserTypes_end; ++t){
-      if (t != ParserTypes_begin)
-        parsersuffixes << std::string(" ");
-      parsersuffixes << std::string("*.") <<
-          FormatParserStorage::getInstance().getSuffixFromType(t);
+    std::stringstream filter_string;
+    if (!suffixes.empty()) {
+      filter_string << "Valid files (";
+      for (std::vector<std::string>::const_iterator iter = suffixes.begin();
+          iter != suffixes.end(); ++iter)
+        filter_string << (iter == suffixes.begin() ? "*." : " *.") << *iter << " ";
+      filter_string << ")";
+      filters << tr(filter_string.str().c_str());
     }
-    parsersuffixes << std::string(")");
-    filters << tr(parsersuffixes.str().c_str());
-    filters << tr("Data files (*.dat)");
     filters << tr("Any files (*)");
     theFileDialog->setNameFilters(filters);

src/UIElements/Qt4/Query/FilesQtQuery.cpp

@@ -48 +48 @@
     QtQueryList<boost::filesystem::path>(_param, _parent, _dialog, temp)
 {
-  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this);
+  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this, _title);
   subQuery = new FileQtQuery(*subParam, _title, _description, thisVLayout, subDialog);
   subDialog->setSubQuery(subQuery);

src/UIElements/Qt4/Query/IntsQtQuery.cpp

@@ -47 +47 @@
     QtQueryList<int>(_param, _parent, _dialog, temp)
 {
-  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this);
+  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this, _title);
   subQuery = new IntQtQuery(*subParam, _title, _description, thisVLayout, subDialog);
   subDialog->setSubQuery(subQuery);

src/UIElements/Qt4/Query/MoleculesQtQuery.cpp

@@ -47 +47 @@
     QtQueryList<const molecule *>(_param, _parent, _dialog, temp)
 {
-  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this);
+  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this, _title);
   subQuery = new MoleculeQtQuery(*subParam, _title, _description, thisVLayout, subDialog);
   subDialog->setSubQuery(subQuery);

src/UIElements/Qt4/Query/QtQuery.hpp

@@ -211 +211 @@
   QFileDialog *theFileDialog;
   Dialog *dialog;
+  std::vector<std::string> suffixes;
+  bool mustBePresent;
 };
 

src/UIElements/Qt4/Query/QtQueryList.hpp

@@ -107 +107 @@
 {
 public:
-  ListQuerySubDialog(QtQueryListUntyped *_parent) : parent(_parent), sub(NULL){}
+  ListQuerySubDialog(QtQueryListUntyped *_parent, const std::string &_title) :
+    Dialog(_title),
+    parent(_parent),
+    sub(NULL)
+  {}
   virtual void update()
   {

src/UIElements/Qt4/Query/StringsQtQuery.cpp

@@ -47 +47 @@
     QtQueryList<std::string>(_param, _parent, _dialog, temp)
 {
-  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this);
+  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this, _title);
   subQuery = new StringQtQuery(*subParam, _title, _description, thisVLayout, subDialog);
   subDialog->setSubQuery(subQuery);

src/UIElements/Qt4/Query/UnsignedIntsQtQuery.cpp

@@ -47 +47 @@
     QtQueryList<unsigned int>(_param, _parent, _dialog, temp)
 {
-  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this);
+  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this, _title);
   subQuery = new UnsignedIntQtQuery(*subParam, _title, _description, thisVLayout, subDialog);
   subDialog->setSubQuery(subQuery);

src/UIElements/Qt4/Query/VectorsQtQuery.cpp

@@ -48 +48 @@
     QtQueryList<Vector>(_param, _parent, _dialog, temp)
 {
-  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this);
+  ListQuerySubDialog *subDialog = new ListQuerySubDialog(this, _title);
   subQuery = new VectorQtQuery(*subParam, _title, _description, thisVLayout, subDialog);
   subDialog->setSubQuery(subQuery);

src/UIElements/TextUI/TextDialog.cpp

@@ -41 +41 @@
 
 
-TextDialog::TextDialog()
+TextDialog::TextDialog(const std::string &_title) :
+        Dialog(_title)
 {
 }

src/UIElements/TextUI/TextDialog.hpp

@@ -28 +28 @@
 {
 public:
-  TextDialog();
+  TextDialog(const std::string &_title);
   virtual ~TextDialog();
 

src/UIElements/TextUI/TextUIFactory.cpp

@@ -46 +46 @@
 
 
-Dialog* TextUIFactory::makeDialog() {
-  return new TextDialog();
+Dialog* TextUIFactory::makeDialog(const std::string &_title) {
+  return new TextDialog(_title);
 }
 

src/UIElements/TextUI/TextUIFactory.hpp

@@ -24 +24 @@
   virtual ~TextUIFactory();
 
-  virtual Dialog* makeDialog();
+  virtual Dialog* makeDialog(const std::string &_title);
   virtual MainWindow* makeMainWindow();
 

src/UIElements/UIFactory.hpp

@@ -56 +56 @@
    * Again the type is determined upon factory creation.
    */
-  virtual Dialog* makeDialog()=0;
+  virtual Dialog* makeDialog(const std::string &_title)=0;
 
 protected:

src/UIElements/Views/Qt4/Plotting/QSeisPlot.cpp

@@ -43 +43 @@
     ASSERT(m_plottype != NULL,
         "QSeisPlot::QSeisPlot() - could not find desired plottype by name "+type.toStdString()+".");
-    std::cout << "Type is " << type.toStdString() << ", " << m_plottype << std::endl;
+//    std::cout << "Type is " << type.toStdString() << ", " << m_plottype << std::endl;
 
     //label axes

src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp

@@ -69 +69 @@
   }
   World::getInstance().signOn(this, World::SelectionChanged);
-  WorldTime::getInstance().signOn(this, WorldTime::TimeChanged);
 
   // set the object's id
@@ -89 +88 @@
   }
   World::getInstance().signOff(this, World::SelectionChanged);
-  WorldTime::getInstance().signOff(this, WorldTime::TimeChanged);
 }
 
@@ -230 +228 @@
         break;
     }
-  } else {
-    // notification from world
-#ifdef LOG_OBSERVER
-    observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(static_cast<Observer *>(this))
-          << " received notification from Worldtime for channel "
-          << notification->getChannelNo() << ".";
-#endif
-    switch (notification->getChannelNo()) {
-      case WorldTime::TimeChanged:
-        resetPosition();
-        emit changed();
-        break;
-      default:
-        break;
-    }
   }
 }

src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp

@@ -22 +22 @@
 #include "types.hpp"
 
+class GLWorldScene;
+
 class GLMoleculeObject_atom : public GLMoleculeObject, public Observer
 {
@@ -42 +44 @@
   void indexChanged(GLMoleculeObject_atom *ob, int oldId, int newId);
 
-public:
+private:
+  //!> grant GLWorldScene acess to reset functions
+  friend class GLWorldScene;
+
   void resetPosition();
 

src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp

@@ -23 +23 @@
 class atom;
 
+class GLWorldScene;
+
 class GLMoleculeObject_bond : public GLMoleculeObject, public Observer
 {
@@ -41 +43 @@
 
 private:
+  //!> grant WorldScene access to reset functions
+  friend class GLWorldScene;
+
   /** Recalculates the position of the cylinder representing the bond.
    *

src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_shape.cpp

@@ -80 +80 @@
   std::vector<Vector> points = shape.getHomogeneousPointsOnSurface(NumPointsonSurface);
 
-  // Fill the points into a tesselate-able container.
-  TesselPointSTLList Corners;
-  for (size_t i=0;i<points.size();++i){
-    TesselPoint *Walker = new TesselPoint;
-    Walker->setPosition(points[i]);
-    Walker->setName(toString(i));
-    Walker->setNr(i);
-    Corners.push_back(Walker);
-  }
-
-  // Tesselate the points.
-  Tesselation *T = new Tesselation;
-  PointCloudAdaptor<TesselPointSTLList> cloud(&Corners, "TesselPointSTLList");
-  (*T)(cloud, minradius);
-
-  // Fill the points into a Qt geometry.
   QGeometryData geo;
-  LinkedCell_deprecated LinkedList(cloud, minradius);
-  std::vector<Vector> normals;
-  normals.resize(points.size(), zeroVec);
-  for(size_t i=0;i<points.size();++i){
-    // add data to the primitive
-    geo.appendVertex(QVector3D(points[i][0], points[i][1], points[i][2]));
-    if (ShapeFactory::getInstance().isSimpleShape(shape.getType()))
-      normals[i] = shape.getNormal(points[i]);
-    else
-      normals[i] = T->getNormal(points[i], &LinkedList);
-    geo.appendNormal(QVector3D(normals[i][0], normals[i][1], normals[i][2]));
-    geo.appendColor(QColor(1, 1, 1, 1));
-    geo.appendTexCoord(QVector2D(0, 0));
-  }
-
-  // Fill the tesselated triangles into the geometry.
-  for (TriangleMap::const_iterator runner = T->TrianglesOnBoundary.begin(); runner != T->TrianglesOnBoundary.end(); runner++) {
-    int v[3];
-    for (size_t i=0; i<3; ++i)
-      v[i] = runner->second->endpoints[i]->node->getNr();
-
-    // Sort the vertices so the triangle is clockwise (relative to the normal vector).
-    Vector cross = points[v[1]] - points[v[0]];
-    cross.VectorProduct(points[v[2]] - points[v[0]]);
-    if (cross.ScalarProduct(normals[v[0]] + normals[v[1]] + normals[v[2]]) > 0)
-      geo.appendIndices(v[0], v[1], v[2]);
-    else
-      geo.appendIndices(v[0], v[2], v[1]);
+  // we need at least three points for tesselation
+  if (points.size() >= 3) {
+    // Fill the points into a tesselate-able container.
+    TesselPointSTLList Corners;
+    for (size_t i=0;i<points.size();++i){
+      TesselPoint *Walker = new TesselPoint;
+      Walker->setPosition(points[i]);
+      Walker->setName(toString(i));
+      Walker->setNr(i);
+      Corners.push_back(Walker);
+    }
+  
+    // Tesselate the points.
+    Tesselation T;
+    PointCloudAdaptor<TesselPointSTLList> cloud(&Corners, "TesselPointSTLList");
+    T(cloud, minradius);
+  
+    // Fill the points into a Qt geometry.
+    LinkedCell_deprecated LinkedList(cloud, minradius);
+    std::vector<Vector> normals;
+    normals.resize(points.size(), zeroVec);
+    for(size_t i=0;i<points.size();++i){
+      // add data to the primitive
+      geo.appendVertex(QVector3D(points[i][0], points[i][1], points[i][2]));
+      if (ShapeFactory::getInstance().isSimpleShape(shape.getType()))
+        normals[i] = shape.getNormal(points[i]);
+      else
+        normals[i] = T.getNormal(points[i], &LinkedList);
+      geo.appendNormal(QVector3D(normals[i][0], normals[i][1], normals[i][2]));
+      geo.appendColor(QColor(1, 1, 1, 1));
+      geo.appendTexCoord(QVector2D(0, 0));
+    }
+  
+    // Fill the tesselated triangles into the geometry.
+    for (TriangleMap::const_iterator runner = T.TrianglesOnBoundary.begin(); runner != T.TrianglesOnBoundary.end(); runner++) {
+      int v[3];
+      for (size_t i=0; i<3; ++i)
+        v[i] = runner->second->endpoints[i]->node->getNr();
+  
+      // Sort the vertices so the triangle is clockwise (relative to the normal vector).
+      Vector cross = points[v[1]] - points[v[0]];
+      cross.VectorProduct(points[v[2]] - points[v[0]]);
+      if (cross.ScalarProduct(normals[v[0]] + normals[v[1]] + normals[v[2]]) > 0)
+        geo.appendIndices(v[0], v[1], v[2]);
+      else
+        geo.appendIndices(v[0], v[2], v[1]);
+    }
   }
 

src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp

@@ -94 +94 @@
   }
 
+  connect(this, SIGNAL(updated()), this, SLOT(update()));
+
   setSelectionMode(SelectAtom);
 
@@ -110 +112 @@
 void GLWorldScene::init()
 {
-  const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
-
-  if (molecules.size() > 0) {
-    for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
-        Runner != molecules.end();
-        Runner++) {
-
-      for (molecule::const_iterator atomiter = (*Runner)->begin();
-          atomiter != (*Runner)->end();
-          ++atomiter) {
-        // create atom objects in scene
+  const std::vector<atom*> &atoms = World::getInstance().getAllAtoms();
+
+  if (atoms.size() > 0) {
+    for (std::vector<atom*>::const_iterator atomiter = atoms.begin();
+        atomiter != atoms.end();
+        atomiter++) {
+      // create atom objects in scene
+      atomInserted((*atomiter)->getId());
+
+      // create bond objects in scene
+      const BondList &bondlist = (*atomiter)->getListOfBonds();
+      for (BondList::const_iterator bonditer = bondlist.begin();
+          bonditer != bondlist.end();
+          ++bonditer) {
+        const bond::ptr _bond = *bonditer;
+        const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
+            GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
+        bondInserted(_bond, side);
+      }
+    }
+  }
+}
+
+/** Update the WorldScene with molecules and atoms from World.
+ *
+ * This function should be called after e.g. WorldTime::TimeChanged was
+ * received or after another molecule has been loaded.
+ *
+ */
+void GLWorldScene::update()
+{
+  const std::vector<atom*> &atoms = World::getInstance().getAllAtoms();
+
+  if (atoms.size() > 0) {
+    for (std::vector<atom*>::const_iterator atomiter = atoms.begin();
+        atomiter != atoms.end();
+        atomiter++) {
+      // check whether atom already exists
+      const atomId_t atomid = (*atomiter)->getId();
+      const bool atom_present = AtomsinSceneMap.count(atomid);
+      if (!atom_present)
         atomInserted((*atomiter)->getId());
-
-        // create bond objects in scene
-        const BondList &bondlist = (*atomiter)->getListOfBonds();
-        for (BondList::const_iterator bonditer = bondlist.begin();
-            bonditer != bondlist.end();
-            ++bonditer) {
-          const bond::ptr _bond = *bonditer;
-          const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
-              GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
+      else
+        AtomsinSceneMap[atomid]->resetPosition();
+
+
+      // create bond objects in scene
+      const BondList &bondlist = (*atomiter)->getListOfBonds();
+      for (BondList::const_iterator bonditer = bondlist.begin();
+          bonditer != bondlist.end();
+          ++bonditer) {
+        const bond::ptr _bond = *bonditer;
+        const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
+            GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
+        bool bond_present = false;
+        const BondIds ids = getBondIds(_bond,side);
+        if (atom_present) {
+          // check whether bond is not present already
+          bond_present = BondsinSceneMap.count(ids);
+        }
+        if (!bond_present)
           bondInserted(_bond, side);
+        else {
+          BondsinSceneMap[ids]->resetPosition();
+          BondsinSceneMap[ids]->resetWidth();
         }
       }
@@ -246 +291 @@
 }
 
-/** Adds a bond to the scene.
- *
- * @param _bond bond to add
- * @param side which side of the bond (left or right)
- */
-void GLWorldScene::bondInserted(const bond::ptr _bond, const enum GLMoleculeObject_bond::SideOfBond side)
-{
-  LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
-  //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
-
+/** Helper function to get bond ids in the correct order for BondNodeMap.
+ *
+ * \return pair of ids in correct order.
+ */
+GLWorldScene::BondIds GLWorldScene::getBondIds(
+    const bond::ptr _bond,
+    const enum GLMoleculeObject_bond::SideOfBond _side) const
+{
   BondIds ids;
-  switch (side) {
+  switch (_side) {
     case GLMoleculeObject_bond::left:
       ids = std::make_pair(_bond->leftatom->getId(), _bond->rightatom->getId());
@@ -265 +308 @@
       break;
   }
-#ifndef NDEBUG
+  return ids;
+}
+
+/** Adds a bond to the scene.
+ *
+ * @param _bond bond to add
+ * @param side which side of the bond (left or right)
+ */
+void GLWorldScene::bondInserted(const bond::ptr _bond, const enum GLMoleculeObject_bond::SideOfBond _side)
+{
+  LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
+  //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
+
+  const BondIds ids = getBondIds(_bond, _side);
   BondNodeMap::iterator iter = BondsinSceneMap.find(ids);
-  ASSERT(iter == BondsinSceneMap.end(),
-      "GLWorldScene::bondAdded() - same left-sided bond "+toString(*_bond)+" added again.");
-#endif
-  GLMoleculeObject_bond * bondObject =
-      new GLMoleculeObject_bond(meshCylinder, this, _bond, side);
-  connect (
-      bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
-      this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
-  connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
-  BondsinSceneMap.insert( make_pair(ids, bondObject) );
-//    BondIdsinSceneMap.insert( Leftids );
+  if (iter == BondsinSceneMap.end()) {
+    GLMoleculeObject_bond * bondObject =
+        new GLMoleculeObject_bond(meshCylinder, this, _bond, _side);
+    connect (
+        bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
+        this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
+    connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
+    BondsinSceneMap.insert( make_pair(ids, bondObject) );
+  //    BondIdsinSceneMap.insert( Leftids );
+  } else {
+    iter->second->resetPosition();
+    iter->second->resetWidth();
+  }
   emit changeOccured();
 }

src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp

@@ -68 +68 @@
 signals:
   void changed();
+  void updated();
   void changeOccured();
   void pressed();
@@ -90 +91 @@
   void addShape();
   void removeShape();
+  void update();
 
 public:
@@ -100 +102 @@
   typedef std::pair< atomId_t, atomId_t> BondIds;
   friend std::ostream &operator<<(std::ostream &ost, const BondIds &t);
+
+  BondIds getBondIds(
+      const bond::ptr _bond,
+      const enum GLMoleculeObject_bond::SideOfBond side) const;
 
   typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;

src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp

@@ -82 +82 @@
   connect(this, SIGNAL(ShapeAdded()), worldscene, SLOT(addShape()));
   connect(this, SIGNAL(ShapeRemoved()), worldscene, SLOT(removeShape()));
+  connect(this, SIGNAL(TimeChanged()), worldscene, SIGNAL(updated()));
   connect(worldscene, SIGNAL(changeOccured()), this, SLOT(changeSignalled()));
   connect(worldscene, SIGNAL(changed()), this, SIGNAL(changed()));
@@ -393 +394 @@
 #endif
         emit changed();
+        emit TimeChanged();
         break;
       }

src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp

@@ -57 +57 @@
 signals:
   void changed();
+  void TimeChanged();
   void atomInserted(const atomicNumber_t _id);
   void atomRemoved(const atomicNumber_t _id);

src/UIElements/Views/Qt4/QtHomologyList.cpp

@@ -41 +41 @@
 #include <QtGui/QTreeWidget>
 #include <QtGui/QTabWidget>
-#include<Qt/qsplitter.h>
+#include <Qt/qsplitter.h>
+#include <Qt/qboxlayout.h>
 
 #include "CodePatterns/MemDebug.hpp"
@@ -73 +74 @@
     potentialregistry_enabled(false)
 {
+  QVBoxLayout* layout = new QVBoxLayout(this);
   QSplitter *splitter = new QSplitter (Qt::Horizontal, this );
+  layout->addWidget(splitter);
+
+  // tree widget
   treewidget = new QTreeWidget (splitter);
+  treewidget->setSelectionMode( QTreeWidget::SingleSelection );
+  treewidget->setColumnCount(COLUMNCOUNT);
+  QStringList header;
+  for(int i=0; i<COLUMNCOUNT;++i)
+    header << COLUMNNAMES[i];
+  treewidget->setHeaderLabels(header);
   splitter->addWidget(treewidget);
 
+  // plot widget
 #ifdef HAVE_QWT
   widget = new QSeisPlotPage ("energy", splitter);
@@ -84 +96 @@
 #endif
   splitter->addWidget(widget);
-//  splitter->setStretchFactor(10, 1);
-
-  treewidget->setSelectionMode( QTreeWidget::SingleSelection );
-
-  treewidget->setColumnCount(COLUMNCOUNT);
-  QStringList header;
-        for(int i=0; i<COLUMNCOUNT;++i)
-          header << COLUMNNAMES[i];
-        treewidget->setHeaderLabels(header);
 
         dirty = true;
@@ -198 +201 @@
         const EmpiricalPotential &potential = dynamic_cast<const EmpiricalPotential &>(**potiter);
         const std::string potentialname = potential.getName();
+        const FunctionModel::filter_t filter = potential.getSpecificFilter();
         Coordinator::ptr coordinator = potential.getCoordinator();
         // then we need to sample the potential
         xvalues.clear();
         for (TrainingData::InputVector_t::const_iterator inputiter = inputs.begin();
-            inputiter != inputs.end(); ++inputiter)
-          xvalues.push_back((*coordinator)(*inputiter));
-
-        // We need to sort the xvalues (and yvalues also)
+            inputiter != inputs.end(); ++inputiter) {
+          const FunctionModel::list_of_arguments_t specificargs = filter(*inputiter);
+          double average = 0.;
+          for (FunctionModel::list_of_arguments_t::const_iterator argiter = specificargs.begin();
+              argiter != specificargs.end(); ++argiter) {
+            const FunctionModel::arguments_t args = *argiter;
+            average += (*coordinator)(args);
+          }
+          if (specificargs.size() > 1) {
+            const size_t index =  xvalues.size();
+            xvalues.push_back(average/(double)specificargs.size());
+            yvalues[index] *= 1./(double)specificargs.size();
+          }
+        }
+
+        // We need to sort the xvalues (and associated yvalues also)
         std::vector<double>::const_iterator xiter = xvalues.begin();
         std::vector<double>::const_iterator yiter = yvalues.begin();

src/UIElements/Views/Qt4/QtMoleculeList.cpp

@@ -128 +128 @@
       formula.push_back((*iter)->getFormula());
       groupItem = new QTreeWidgetItem(this);
-      groupItem->setText(0, QString((*iter)->getName().c_str()));
-      groupItem->setText(1, QString::number((*iter)->getAtomCount()));
-      groupItem->setText(2, QString((*iter)->getFormula().toString().c_str()));
+      groupItem->setText(0, QString("default"));
+      groupItem->setText(1, QString::number(0));
+      groupItem->setText(2, QString(""));
       groupItem->setText(3, "0");
       groupItem->setData(0, Qt::UserRole, QVariant(-1));

src/UIElements/Views/Qt4/QtToolBar.cpp

@@ -44 +44 @@
   QToolBar(_parent)
 {
-  addActionItem("undo", "undo", "edit-undo");
-  addActionItem("redo", "redo", "edit-redo");
+  addActionItem("undo", "undo the last Action", "edit-undo");
+  addActionItem("redo", "redo the last Action", "edit-redo");
 }
 
@@ -57 +57 @@
 {
   QAction *action = addAction(QString(description.c_str()));
-  action->setIcon(QIcon::fromTheme(QString(icon_name.c_str())));
+  action->setIcon(FavActions.getIcon(token, icon_name));
+  action->setToolTip(QString(description.c_str()));
   QtMenuPipe *pipe = new QtMenuPipe(token,action);
   QObject::connect(action, SIGNAL(triggered()),pipe,SLOT(called()));
   plumbing.push_back(pipe);
+  present_actions.insert( token );
 }
+
+void QtToolBar::addFavoriteActionItems(const unsigned int _max)
+{
+  // separate favorite actions
+  addSeparator();
+  FavActions.addToolBarActions(*this, _max);
+}
+

src/UIElements/Views/Qt4/QtToolBar.hpp

@@ -20 +20 @@
 #include "Menu/Qt4/QtMenuPipe.hpp"
 
+#include <map>
+#include <set>
+#include <string>
+
+#include "CodePatterns/Observer/Observer.hpp"
+
 
 class QtToolBar : public QToolBar
@@ -28 +34 @@
   virtual ~QtToolBar();
 
+  /** Adds an action named \a token to the toolbar.
+   *
+   * @param token token of Action
+   * @param description description to appear as tooltip
+   * @param icon_name name of icon
+   */
+  void addActionItem(const std::string &token, const std::string &description, const std::string &icon_name);
+
+  /** Function to add a set of favorite actions.
+   *
+   * @param _max maximum number of actions to add
+   */
+  void addFavoriteActionItems(const unsigned int _max);
+
+  //!> typedef for a set of action tokens
+  typedef std::set<std::string> present_actions_t;
+
+  /** Getter for current set of present action on this toolbar.
+   *
+   * @return set of action tokens
+   */
+  const present_actions_t & getPresentActions() const
+  { return present_actions; }
+
 private:
   std::list<QtMenuPipe*> plumbing;
 
-  void addActionItem(const std::string &token, const std::string &description, const std::string &icon_name);
+  /** This class knows about all Actions being called and stores their frequency.
+   *
+   * This is used to know about the topmost used Actions and creating placeholder
+   * toolbar icons for these on program launch.
+   *
+   */
+  class QtFavoriteActions : public Observer
+  {
+  public:
+    QtFavoriteActions();
+    ~QtFavoriteActions();
 
+    void addToolBarActions(
+        QtToolBar &_toolbar,
+        const unsigned int _max) const;
+
+    void update(Observable *publisher);
+    void subjectKilled(Observable *publisher);
+    void recieveNotification(Observable *publisher, Notification_ptr notification);
+
+    QIcon getIcon(
+        const std::string &_token,
+        const std::string &_icon_name
+        ) const;
+
+  private:
+    QIcon createIconPlaceholder(
+        const std::string &_token
+        ) const;
+
+  private:
+    //!> typedef for the action counts
+    typedef std::map<std::string, unsigned int> ActionCounts_t;
+    //!> map counts how often each action has been called
+    ActionCounts_t ActionCounts;
+    //!> sign in to ActionQueue?
+    bool ActionQueue_observing;
+  };
+
+  //!> instance dealing with favorite action icons
+  QtFavoriteActions FavActions;
+
+  //!> set of already present action icons
+  present_actions_t present_actions;
 };