Changeset 3eb91c for src/UIElements/Views/Qt4/QtMoleculeList.cpp

Timestamp:

Jan 10, 2015, 5:14:32 PM (10 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, 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:

7b93f9

Parents:

9a7ef9

git-author:

Frederik Heber <heber@…> (11/16/14 16:31:35)

git-committer:

Frederik Heber <heber@…> (01/10/15 17:14:32)

Message:

Molecule's Visibility can be changed "group-wise".

• FIX: Removed this funny clear() on update() signal. Also using notifications now, which appear less often.

File:

• src/UIElements/Views/Qt4/QtMoleculeList.cpp (modified) (9 diffs)

src/UIElements/Views/Qt4/QtMoleculeList.cpp

@@ -69 +69 @@
   setHeaderLabels(header);
 
-  World::getInstance().signOn(this);//, World::MoleculeInserted);
-  //World::getInstance().signOn(this, World::MoleculeRemoved);
+  World::getInstance().signOn(this, World::MoleculeInserted);
+  World::getInstance().signOn(this, World::MoleculeRemoved);
 
 
@@ -76 +76 @@
   clearing = false;
   selecting = false;
+  ChangingChildrensVisibility = false;
   refill();
 
@@ -86 +87 @@
 QtMoleculeList::~QtMoleculeList()
 {
-  World::getInstance().signOff(this);//, World::MoleculeInserted);
-  //World::getInstance().signOff(this, World::MoleculeRemoved);
+  World::getInstance().signOff(this, World::MoleculeInserted);
+  World::getInstance().signOff(this, World::MoleculeRemoved);
 }
 
 void QtMoleculeList::update(Observable *publisher) {
+  ASSERT(0,
+      "QtMoleculeList::update() - we did not sign up for any global updates.");
+}
+
+void QtMoleculeList::recieveNotification(Observable *publisher, Notification_ptr notification) {
 
   if (selecting)
@@ -96 +102 @@
 
   dirty = true;
-
-  // force an update from Qt...
-  clearing = true;
-  clear();
-  clearing = false;
-}
+}
+
 
 void QtMoleculeList::refill() {
@@ -108 +110 @@
 
   clear();
-
-  // list of (unique) formulas in the world
-  std::vector<Formula> formula;
+  formula.clear();
+  FormulaVisibilityCountMap.clear();
 
   for (std::vector<molecule*>::const_iterator iter = molecules.begin();
@@ -118 +119 @@
     // find group if already in list
     QTreeWidgetItem *groupItem = NULL;
-    for (unsigned int j=0;j<formula.size();j++)
-      if ((*iter)->getFormula() == formula[j]){
-        groupItem = topLevelItem(j);
-        break;
-      }
+    const std::string &molecule_formula = (*iter)->getFormula().toString();
+    FormulaTreeItemMap_t::const_iterator formulaiter =
+        formula.find(molecule_formula);
 
     // new molecule type -> create new group
-    if (!groupItem){
-      formula.push_back((*iter)->getFormula());
+    if (formulaiter == formula.end()){
+      // insert new formula entry into visibility
+#ifndef NDEBUG
+      std::pair< FormulaVisibilityCountMap_t::iterator, bool> visibilityinserter =
+#endif
+          FormulaVisibilityCountMap.insert(
+              std::make_pair( molecule_formula, (unsigned int)0) );
+      ASSERT( visibilityinserter.second,
+          "QtMoleculeList::refill() - molecule with formula "
+          +molecule_formula+" already in FormulaVisibilityCountMap.");
+
+      // create item and place into Map with formula as key
       groupItem = new QTreeWidgetItem(this);
+      formula.insert( std::make_pair(molecule_formula, groupItem) );
+      // fill item
       groupItem->setText(NAME, QString("default"));
-//      groupItem->setFlags(groupItem->flags() | Qt::ItemIsUserCheckable);
-//      groupItem->setCheckState(VISIBILITY, Qt::Checked);
+      groupItem->setFlags((groupItem->flags() | Qt::ItemIsUserCheckable) ^ Qt::ItemIsSelectable);
+      groupItem->setCheckState(VISIBILITY, Qt::Unchecked);
       groupItem->setText(ATOMCOUNT, QString::number(0));
       groupItem->setText(FORMULA, QString(""));
       groupItem->setText(OCCURRENCE, "0");
       groupItem->setData(0, Qt::UserRole, QVariant(-1));
+    } else {
+      groupItem = formulaiter->second;
     }
 
@@ -140 +153 @@
     QTreeWidgetItem *molItem = new QTreeWidgetItem(groupItem);
     molItem->setText(NAME, QString((*iter)->getName().c_str()));
-    molItem->setFlags(groupItem->flags() | Qt::ItemIsUserCheckable);
+    molItem->setFlags(molItem->flags() | Qt::ItemIsUserCheckable | Qt::ItemIsSelectable);
     molItem->setCheckState(VISIBILITY, Qt::Unchecked);
     molItem->setText(ATOMCOUNT, QString::number((*iter)->getAtomCount()));
-    molItem->setText(FORMULA, QString((*iter)->getFormula().toString().c_str()));
+    molItem->setText(FORMULA, QString(molecule_formula.c_str()));
     const int index = (*iter)->getId();
     molItem->setData(0, Qt::UserRole, QVariant(index));
@@ -149 +162 @@
 
     // increase group occurrence
-    int count = groupItem->text(4).toInt() + 1;
+    int count = groupItem->text(OCCURRENCE).toInt() + 1;
     groupItem->setText(OCCURRENCE, QString::number(count));
   }
@@ -168 +181 @@
 void QtMoleculeList::visibilityChanged(QTreeWidgetItem* item, int column)
 {
-  if (column == VISIBILITY) {
-    const moleculeId_t molid = item->data(0, Qt::UserRole).toInt();
-    const bool visible = item->checkState(VISIBILITY);
-    emit moleculesVisibilityChanged(molid, visible);
-  }
+  if ((!clearing) && (!ChangingChildrensVisibility))
+    if (column == VISIBILITY) {
+      const moleculeId_t molid = item->data(0, Qt::UserRole).toInt();
+      const bool visible = item->checkState(VISIBILITY);
+      if (molid != (unsigned int)-1) { // molecule item
+        const molecule * const _molecule =
+            World::getInstance().getMolecule(MoleculeById(molid));
+        ASSERT( _molecule != NULL,
+            "QtMoleculeList::visibilityChanged() - molecule with id "
+            +toString(molid)+" is not known to World.");
+        const std::string &molecule_formula = _molecule->getFormula().toString();
+        ASSERT( FormulaVisibilityCountMap.count(molecule_formula) != 0,
+            "QtMoleculeList::visibilityChanged() - molecule with formula " +molecule_formula
+            +" is not present in FormulaVisibilityCountMap.");
+
+        // get parent
+        QTreeWidgetItem *groupItem = item->parent();
+        ASSERT( groupItem != NULL,
+            "QtMoleculeList::visibilityChanged() - item with id "+toString(molid)
+            +" has not parent?");
+        // check whether we have to set the group item
+
+        ChangingChildrensVisibility = true;
+        if (visible) {
+          ++(FormulaVisibilityCountMap[molecule_formula]);
+          // compare with occurence/total number of molecules
+          if (FormulaVisibilityCountMap[molecule_formula] ==
+              (unsigned int)(groupItem->text(OCCURRENCE).toInt()))
+            groupItem->setCheckState(VISIBILITY, Qt::Checked);
+        } else {
+          --(FormulaVisibilityCountMap[molecule_formula]);
+          // none selected anymore?
+          if (FormulaVisibilityCountMap[molecule_formula] == 0)
+            groupItem->setCheckState(VISIBILITY, Qt::Unchecked);
+        }
+        ChangingChildrensVisibility = false;
+
+        emit moleculesVisibilityChanged(molid, visible);
+
+      } else { // group item
+
+        // go through all children, but don't enter for groupItem once more
+        ChangingChildrensVisibility = true;
+        for (int i=0;i<item->childCount();++i) {
+          QTreeWidgetItem *molItem = item->child(i);
+          const moleculeId_t molid = molItem->data(0, Qt::UserRole).toInt();
+          ASSERT( molid != (unsigned int)-1,
+              "QtMoleculeList::visibilityChanged() - to child with index"
+              +toString(i)+" there is no molecule?");
+          molItem->setCheckState(VISIBILITY, visible ? Qt::Checked : Qt::Unchecked);
+
+          // emit signal
+          emit moleculesVisibilityChanged(molid, visible);
+        }
+        // set current number of visible children
+        const std::string molecule_formula =
+            item->text(FORMULA).toStdString();
+        FormulaVisibilityCountMap[molecule_formula] =
+            visible ? item->text(OCCURRENCE).toInt() : 0;
+
+        ChangingChildrensVisibility = false;
+      }
+    }
 }