Changeset a77c96

Timestamp:

Mar 5, 2010, 3:17:43 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

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, 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:

cd032d

Parents:

63b56a7

git-author:

Tillmann Crueger <crueger@…> (03/05/10 10:26:16)

git-committer:

Tillmann Crueger <crueger@…> (03/05/10 15:17:43)

Message:

Started work on a tab view for Molecule Content

Location:

src

Files:

• Makefile.am (modified) (3 diffs)
• UIElements/QT4/QTMainWindow.cpp (modified) (3 diffs)
• UIElements/QT4/QTMainWindow.hpp (modified) (2 diffs)
• Views/QT4/QTMoleculeView.cpp (added)
• Views/QT4/QTMoleculeView.hpp (added)
• Views/QT4/QTWorldView.cpp (modified) (8 diffs)
• Views/QT4/QTWorldView.hpp (modified) (2 diffs)
• World.cpp (modified) (1 diff)

src/Makefile.am

@@ -43 +43 @@
                                  Views/QT4/QTWorldView.hpp \
                                  Views/QT4/GLMoleculeView.hpp \
+                                 Views/QT4/QTMoleculeView.hpp \
                                  Views/QT4/QTStatusBar.hpp
  
@@ -50 +51 @@
                       QTWorldView.moc.cpp \
                       GLMoleculeView.moc.cpp \
+                      QTMoleculeView.moc.cpp \
                       QTStatusBar.moc.cpp
 
@@ -71 +73 @@
              Views/QT4/QTWorldView.cpp \
              Views/QT4/GLMoleculeView.cpp \
+             Views/QT4/QTMoleculeView.cpp \
              Views/QT4/QTStatusBar.cpp
+             
 QTUIHEADER = ${QTUIMOC_HEADER} UIElements/QT4/QTUIFactory.hpp
 

src/UIElements/QT4/QTMainWindow.cpp

@@ -22 +22 @@
 #include "Views/QT4/QTWorldView.hpp"
 #include "Views/QT4/GLMoleculeView.hpp"
+#include "Views/QT4/QTMoleculeView.hpp"
 #include "Views/QT4/QTStatusBar.hpp"
 
@@ -35 +36 @@
   worldDisplay = new QTWorldView(molecules,splitter2);
 
-  QLabel *pseudo1 = new QLabel(QString("Here be dragons"));
+  moleculeDisplay = new QTMoleculeView();
   molecule3dDisplay = new GLMoleculeView();
 
   setCentralWidget(splitter1);
   splitter1->addWidget(splitter2);
-  splitter1->addWidget(pseudo1);
+  splitter1->addWidget(moleculeDisplay);
   splitter2->addWidget(molecule3dDisplay);
   splitter2->addWidget(worldDisplay);
@@ -50 +51 @@
   populaters.MakeEditMoleculesMenu(editMoleculesMenu,molecules,configuration,periode);
   menuBar()->addMenu(editMoleculesMenu);
+
+  connect(worldDisplay,SIGNAL(moleculeSelected(molecule*)),moleculeDisplay,SLOT(moleculeSelected(molecule*)));
+  connect(worldDisplay,SIGNAL(moleculeUnSelected(molecule*)),moleculeDisplay,SLOT(moleculeUnSelected(molecule*)));
 }
 

src/UIElements/QT4/QTMainWindow.hpp

@@ -16 +16 @@
 class QTMenu;
 class GLMoleculeView;
+class QTMoleculeView;
 class QTStatusBar;
 
@@ -35 +36 @@
   QTMenu *editMoleculesMenu;
   GLMoleculeView *molecule3dDisplay;
+  QTMoleculeView *moleculeDisplay;
   QTStatusBar *statusBar;
 

src/Views/QT4/QTWorldView.cpp

@@ -39 +39 @@
 
   connect(this,SIGNAL(cellChanged(int,int)),this,SLOT(moleculeChanged(int,int)));
+  connect(this,SIGNAL(cellClicked(int,int)),this,SLOT(cellSelected(int,int)));
 
 }
@@ -50 +51 @@
   int numMolecules = molecules->ListOfMolecules.size();
   setRowCount(numMolecules);
+  molSelection.resize(numMolecules);
   int i;
   MoleculeList::iterator iter;
@@ -55 +57 @@
       iter != molecules->ListOfMolecules.end();
       ++i,++iter) {
+
     const int index = (*iter)->IndexNr;
     QTableWidgetItem *indexWidget = new QTableWidgetItem();
@@ -63 +66 @@
     indexWidget->setData(Qt::UserRole,QVariant(index));
     setVerticalHeaderItem(i,indexWidget);
+
     const string name = (*iter)->getName();
     QTableWidgetItem *nameWidget = new QTableWidgetItem();
     nameWidget->setText(QString(name.c_str()));
     setItem(i,NAME,nameWidget);
+
     const int atomCount = (*iter)->AtomCount;
     QTableWidgetItem *countWidget= new QTableWidgetItem();
@@ -72 +77 @@
     countsstr << atomCount;
     countWidget->setText(QString(countsstr.str().c_str()));
-    countWidget->setFlags(Qt::ItemIsEnabled);
+    countWidget->setFlags(Qt::ItemIsSelectable | Qt::ItemIsUserCheckable | Qt::ItemIsEnabled);
     setItem(i,ATOMS,countWidget);
+
     const Vector center = (*iter)->Center;
     QTableWidgetItem *centerWidget = new QTableWidgetItem();
@@ -80 +86 @@
     centerWidget->setText(QString(centersstr.str().c_str()));
     setItem(i,CENTER,centerWidget);
-    centerWidget->setFlags(Qt::ItemIsEnabled);
+    centerWidget->setFlags(Qt::ItemIsSelectable | Qt::ItemIsUserCheckable | Qt::ItemIsEnabled);
+
+    molSelection[i]=nameWidget->isSelected();
   }
 }
@@ -89 +97 @@
 void QTWorldView::moleculeChanged(int row, int column) {
   int idx = verticalHeaderItem(row)->data(Qt::UserRole).toInt();
-  molecule *mol =molecules->ReturnIndex(idx);
+  molecule *mol = molecules->ReturnIndex(idx);
   string cellValue = item(row,NAME)->text().toStdString();
   if(mol->getName() != cellValue && cellValue !="") {
@@ -99 +107 @@
 }
 
+
+void QTWorldView::cellSelected(int row, int column){
+  bool state = item(row,column)->isSelected();
+  for(int i = 0; i<COLUMNCOUNT; i++){
+    item(row,i)->setSelected(state);
+  }
+  // figure out which rows have changed
+  for(int i=0; i<rowCount();++i){
+    state = item(i,0)->isSelected();
+    if(molSelection[i]!=state){
+      int idx = verticalHeaderItem(i)->data(Qt::UserRole).toInt();
+      molecule *mol = molecules->ReturnIndex(idx);
+      if(state){
+        emit moleculeSelected(mol);
+      }
+      else{
+        emit moleculeUnSelected(mol);
+      }
+      molSelection[i]=state;
+    }
+  }
+}

src/Views/QT4/QTWorldView.hpp

@@ -12 +12 @@
 #include "Patterns/Observer.hpp"
 
+class molecule;
 class MoleculeListClass;
 
@@ -33 +34 @@
   void moleculeChanged(int row, int column);
 
+  void cellSelected(int row, int column);
+
+signals:
+  void moleculeSelected(molecule*);
+  void moleculeUnSelected(molecule*);
+
 private:
+  std::vector<bool> molSelection; //!< needed to determine when a selection changes
   MoleculeListClass *molecules;
 };

src/World.cpp

@@ -170 +170 @@
     atomId_t id = *(atomIdPool.begin());
     atomIdPool.erase(id);
+    return id;
   }
 }