Changeset 5aec20 for src/UIElements

Timestamp:

Feb 14, 2016, 12:34:27 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:

387a84

Parents:

4cac6c

git-author:

Frederik Heber <heber@…> (01/05/16 22:24:10)

git-committer:

Frederik Heber <heber@…> (02/14/16 12:34:27)

Message:

QtElementList must not use atom but only QtObservedAtom.

Location:

src/UIElements

Files:

• Qt4/QtMainWindow.cpp (modified) (1 diff)
• Views/Qt4/QtElementList.cpp (modified) (5 diffs)
• Views/Qt4/QtElementList.hpp (modified) (4 diffs)

src/UIElements/Qt4/QtMainWindow.cpp

@@ -109 +109 @@
   moleculeListView->setModel(moleculeList);
 
-  elementList = new QtElementList(worldTab);
+  elementList = new QtElementList(InstanceBoard, worldTab);
   homologyList = new QtHomologyList(worldTab);
   fragmentList = new QtFragmentList(worldTab);

src/UIElements/Views/Qt4/QtElementList.cpp

@@ -34 +34 @@
 
 #include "Views/Qt4/QtElementList.hpp"
+#include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp"
 
 #include <iostream>
@@ -54 +55 @@
 const char *QtElementList::COLUMNNAMES[QtElementList::COLUMNCOUNT]={"Number","Name","Symbol","Mass","Occurrence"};
 
-QtElementList::QtElementList(QWidget * _parent) :
+QtElementList::QtElementList(QtObservedInstanceBoard *_board, QWidget * _parent) :
     QTreeWidget (_parent),
-    Observer("QtElementList")
+    Observer("QtElementList"),
+    board(_board)
 {
   setColumnCount(COLUMNCOUNT);
@@ -124 +126 @@
 }
 
-void QtElementList::updateElement(const atom &_atom)
-{
-  const atomicNumber_t newelement = _atom.getElementNo();
+void QtElementList::updateElement(const QtObservedAtom::ptr &_atom)
+{
+  const atomicNumber_t newelement = _atom->getAtomElement();
   atomicNumber_t oldelement = -1;
+  const atomId_t atomid = _atom->getAtomIndex();
   QTreeWidgetItem *newtreeItem = topLevelItem(newelement-1);
   ASSERT( newtreeItem != NULL,
@@ -143 +146 @@
 //    insertTopLevelItem(newelement-1, newtreeItem);
 //  }
-  AtomElementMap_t::iterator iter = AtomElementMap.find(_atom.getId());
+  AtomElementMap_t::iterator iter = AtomElementMap.find(atomid);
   if (iter == AtomElementMap.end()) {
-    AtomElementMap.insert( std::make_pair(_atom.getId(), -1));
-    iter = AtomElementMap.find(_atom.getId());
+    AtomElementMap.insert( std::make_pair(atomid, -1));
+    iter = AtomElementMap.find(atomid);
   } else
     oldelement = iter->second;
@@ -183 +186 @@
   refill_mutex.lock();
 
-  const atom * const walker = const_cast<const World &>(World::getInstance()).
-      getAtom(AtomById(_atomid));
-  if (walker != NULL)
-    updateElement(*walker);
+  const QtObservedAtom::ptr walker = board->getObservedAtom(_atomid);
+  if (walker)
+    updateElement(walker);
   else {
     AtomElementMap_t::iterator iter = AtomElementMap.find(_atomid);

src/UIElements/Views/Qt4/QtElementList.hpp

@@ -23 +23 @@
 #include "types.hpp"
 
-class atom;
+#include "UIElements/Qt4/InstanceBoard/QtObservedAtom.hpp"
+
+class QtObservedInstanceBoard;
 
 class QtElementList: public QTreeWidget, public Observer
@@ -30 +32 @@
 
 public:
-  QtElementList(QWidget * _parent=0);
+  QtElementList(QtObservedInstanceBoard *_board, QWidget * _parent=0);
   virtual ~QtElementList();
 
@@ -40 +42 @@
 
   void setOccurrence(QTreeWidgetItem &_item, const int count);
-  void updateElement(const atom &_atom);
+  void updateElement(const QtObservedAtom::ptr &_atom);
 
   static const int COLUMNCOUNT;
@@ -59 +61 @@
   bool dirty;
 
+  //!> ptr to instance board to obtain observed atoms
+  QtObservedInstanceBoard * const board;
+
   QMutex refill_mutex;
 };