Changeset a4dee7 for src/UIElements/Views/Qt4/QtElementList.hpp

Timestamp:

Jul 23, 2015, 2:41:49 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, Candidate_v1.7.0, 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().

File:

• src/UIElements/Views/Qt4/QtElementList.hpp (modified) (3 diffs)

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;
 };