Changeset d20ded for src/Fragmentation/Summation

Timestamp:

Oct 5, 2013, 9:32:45 AM (11 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:

a8f5d94

Parents:

c792e0

git-author:

Frederik Heber <heber@…> (09/03/13 07:49:02)

git-committer:

Frederik Heber <heber@…> (10/05/13 09:32:45)

Message:

FragmentResultContainer is Observable and displayed by QtFragmentList.

• FIX: loop never entered in QtFragmentList::rowSelected().

Location:

src/Fragmentation/Summation/Containers

Files:

• FragmentationResultContainer.cpp (modified) (2 diffs)
• FragmentationResultContainer.hpp (modified) (4 diffs)

src/Fragmentation/Summation/Containers/FragmentationResultContainer.cpp

@@ -49 +49 @@
     )
 {
+  OBSERVE;
   ASSERT( ResultsType == BothRanges,
       "FragmentationResultContainer::getLongRangeResults() - mixing full and short range is not in the cards.");
@@ -77 +78 @@
     )
 {
+  OBSERVE;
   ASSERT( (ResultsType == ShortRangeOnly) || (keysets.KeySets.empty()) ,
       "FragmentationResultContainer::getLongRangeResults() - mixing full and short range is not in the cards.");

src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp

@@ -20 +20 @@
 #include <map>
 
+#include "CodePatterns/Observer/Observable.hpp"
+
 #ifdef HAVE_JOBMARKET
 #include "JobMarket/types.hpp"
@@ -39 +41 @@
  * full serialize.
  */
-class FragmentationResultContainer: public Singleton<FragmentationResultContainer>
+class FragmentationResultContainer :
+    public Singleton<FragmentationResultContainer>,
+    public Observable
 {
   //!> Singleton patterns needs access to private cstor/dtor.
@@ -45 +49 @@
 private:
   FragmentationResultContainer() :
+    Observable("FragmentationResultContainer"),
     ResultsType(BothRanges)
   {}
@@ -95 +100 @@
   void clear()
   {
+    OBSERVE;
     keysets.clear();
     forcekeysets.clear();