Changeset a4dee7 for src/UIElements/Views

Timestamp:

Jul 23, 2015, 2:41:49 PM (9 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:

599b32

Parents:

6b6959

git-author:

Frederik Heber <heber@…> (05/31/15 16:00:52)

git-committer:

Frederik Heber <heber@…> (07/23/15 14:41:49)

Message:

tempcommit: Attempt to replace QtElementList::refill() by faster system.

• this is not finished or tested as it is incompatible right now right refill().

Location:

src/UIElements/Views/Qt4

Files:

• QtElementList.cpp (modified) (2 diffs)
• QtElementList.hpp (modified) (3 diffs)

src/UIElements/Views/Qt4/QtElementList.cpp

@@ -88 +88 @@
 void QtElementList::recieveNotification(Observable *publisher, Notification_ptr notification)
 {
-  if ((publisher == static_cast<Observable *>(&AtomObserver::getInstance()))
-      && (notification->getChannelNo() == atom::ElementChanged)) {
+  if (notification->getChannelNo() == atom::ElementChanged) {
+//    updateElement(static_cast<atom &>(*publisher));
     dirty = true;
 
-    // force an update from Qt...
-    clear();
-    //emit changed(); doesn't work!?!
+    refill();
   } else
     ASSERT(0, "QtElementList::recieveNotification() - we are not enlisted to any other instance's channel.");
+}
+
+void QtElementList::updateElement(const atom &_atom)
+{
+  // this function has not been tested and is not used because it is
+  // incompatible with the current refill scheme
+  AtomElementMap_t::iterator iter = AtomElementMap.find(_atom.getId());
+  const atomicNumber_t oldelement = iter->second;
+  const atomicNumber_t newelement = _atom.getElementNo();
+  iter->second = newelement;
+  QTreeWidgetItem *oldtreeItem = topLevelItem(oldelement-1);
+  QTreeWidgetItem *newtreeItem = topLevelItem(newelement-1);
+  ASSERT( (oldtreeItem != NULL) && (newtreeItem != NULL),
+      "QtElementList::updateElement() - missing element item.");
+  int count_old = oldtreeItem->text(OCCURRENCE).toInt();
+  int count_new = newtreeItem->text(OCCURRENCE).toInt();
+  setOccurrence(*oldtreeItem, count_old-1);
+  setOccurrence(*newtreeItem, count_new+1);
+}
+
+void QtElementList::setOccurrence(QTreeWidgetItem &_item, const int count)
+{
+  if (count < 0) {
+    // something must be very wrong, rather refill
+    dirty = true;
+    refill();
+  } else {
+    if (count > 0) {
+      _item.setText(OCCURRENCE, QString::number(count));
+    } else {
+      _item.setText(OCCURRENCE, "none");
+      _item.setDisabled(true);
+    }
+  }
 }
 
@@ -121 +153 @@
     treeItem->setText(SYMBOL, QString(e->getSymbol().c_str()));
     treeItem->setText(MASS, QString::number(e->getMass()));
-    if (count > 0){
-      treeItem->setText(OCCURRENCE, QString::number(count));
-    }else{
-      treeItem->setText(OCCURRENCE, "none");
-      treeItem->setDisabled(true);
-    }
+    setOccurrence(*treeItem, count);
     elementSelection.push_back(treeItem->isSelected());
   }

src/UIElements/Views/Qt4/QtElementList.hpp

@@ -19 +19 @@
 #include "CodePatterns/Observer/Notification.hpp"
 
-class molecule;
-class MoleculeListClass;
+#include "types.hpp"
+
+class atom;
 
 class QtElementList: public QTreeWidget, public Observer
@@ -37 +38 @@
   void refill();
 
+  void setOccurrence(QTreeWidgetItem &_item, const int count);
+  void updateElement(const atom &_atom);
+
   static const int COLUMNCOUNT;
   enum {NUMBER,NAME,SYMBOL,MASS,OCCURRENCE,COLUMNTYPES_MAX} COLUMNTYPES;
@@ -44 +48 @@
   void rowSelected();
 
-signals:
-  void moleculeSelected(molecule*);
-  void moleculeUnSelected(molecule*);
-  void changed();
-
 private:
   std::vector<bool> elementSelection; //!< needed to determine when a selection changes
-  MoleculeListClass *molecules;
+  typedef std::map<atomId_t, atomicNumber_t> AtomElementMap_t;
+  AtomElementMap_t AtomElementMap;
   bool dirty;
 };