Changeset 1b07b1 for src/UIElements/Qt4/InstanceBoard

Timestamp:

Feb 14, 2016, 12:34:28 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:

62a0ee

Parents:

e7ed12

git-author:

Frederik Heber <heber@…> (01/06/16 17:34:22)

git-committer:

Frederik Heber <heber@…> (02/14/16 12:34:28)

Message:

QtObservedInstanceBoard now sends QtObserved..::ptr around in signals.

• this should get rid of the problem that we need to keep the QtObservedAtom until it was requested at least once. And we don't know for how long. Now, we simply place the shared_ptr into the signal (to which it seems to be copied) and hence a representation of the atoms remains valid.
• cstor of GLMoleculeObject_.. take Observed.. as ref.

Location:

src/UIElements/Qt4/InstanceBoard

Files:

• QtObservedInstanceBoard.cpp (modified) (6 diffs)
• QtObservedInstanceBoard.hpp (modified) (2 diffs)
• QtObservedMolecule.cpp (modified) (1 diff)
• QtObservedMolecule.hpp (modified) (2 diffs)

src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.cpp

@@ -75 +75 @@
           _1)),
   lastremovedatom((atomId_t)-1),
-  lastremovedatomsmolecule( std::make_pair((moleculeId_t)-1,(atomId_t)-1) ),
   lastremovedmolecule((moleculeId_t)-1)
 {
@@ -169 +168 @@
           MoleculeSignedOn.insert( static_cast<Observable *>(const_cast<molecule *>(_molecule)) );
 
-          emit moleculeInserted(_id);
+          emit moleculeInserted(observedmolecule);
         } else {
           ELOG(1, "QtObservedInstanceBoard got MoleculeInserted for unknown molecule id " << _id);
@@ -206 +205 @@
           _atom->signOn(this, atom::IndexChanged);
           AtomSignedOn.insert( static_cast<Observable *>(const_cast<atom *>(_atom)) );
-          emit atomInserted(observedatom->getAtomMoleculeIndex(), observedatom->getAtomIndex());
+          emit atomInserted(observedatom);
         } else {
           ELOG(1, "QtObservedInstanceBoard got AtomInserted for unknown atom id " << _id);
@@ -227 +226 @@
     const moleculeId_t molid = const_cast<const World &>(World::getInstance()).lastChangedMolId();
     switch (notification->getChannelNo()) {
-      case molecule::AtomInserted:
-      {
-        const molecule * const _molecule = const_cast<const World &>(World::getInstance()).
-            getMolecule(MoleculeById(molid));
-        if (_molecule != NULL) {
-          const atomId_t atomid = const_cast<const molecule *>(_molecule)->lastChangedAtomId();
-          LOG(3, "DEBUG: InformationBoard got AtomInserted signal for atom "
-              << atomid << " from molecule " << molid);
-          // check whether atom's observedvalues are present
-          ASSERT( atomObservedValues.isPresent(atomid),
-              "QtObservedInstanceBoard::recieveNotification() - ObservedValues for atom "
-              +toString(atomid)+" are not present yet.");
-          // and emit
-          emit atomInserted(molid, atomid);
-        } else {
-          ELOG(2, "QtObservedInstanceBoard::recieveNotification() - molecule "
-              << molid << " has disappeared.");
-        }
-        break;
-      }
-      case molecule::AtomRemoved:
-      {
-        const molecule * const _molecule = const_cast<const World &>(World::getInstance()).
-            getMolecule(MoleculeById(molid));
-        if (_molecule != NULL) {
-          const atomId_t atomid = const_cast<const molecule *>(_molecule)->lastChangedAtomId();
-          LOG(3, "DEBUG: InformationBoard got AtomRemoved signal for atom "
-              << atomid << " from molecule " << molid);
-          lastremovedatomsmolecule = std::make_pair(molid, atomid);
-        }
-        break;
-      }
       case molecule::IndexChanged:
       {
@@ -293 +260 @@
             "QtObservedInstanceBoard::recieveNotification() - cannot change atom's id "
             +toString(oldatomId)+" "+toString(newatomId)+" in atomObservedValues.");
-        // changed insertion delayed
-        atomInsertionDelayed_t::iterator iter = atomInsertionDelayed.find(oldatomId);
-        if (iter != atomInsertionDelayed.end()) {
-          const moleculeId_t molid = iter->second;
-          atomInsertionDelayed.erase(iter);
-#ifndef NDEBUG
-          std::pair<atomInsertionDelayed_t::iterator, bool> inserter =
-#endif
-          atomInsertionDelayed.insert( std::make_pair(newatomId, molid) );
-          ASSERT( inserter.second,
-              "QtObservedInstanceBoard::recieveNotification() - id "
-              +toString(newatomId)+" already present in atomInsertionDelayed.");
-        }
         // no need update SignedOn, ref does not change
         emit atomIndexChanged(oldatomId, newatomId);
@@ -321 +275 @@
 void QtObservedInstanceBoard::atomcountsubjectKilled(const atomId_t _atomid)
 {
-  if ((_atomid == lastremovedatomsmolecule.second) && (_atomid == lastremovedatom)) {
+  if ((_atomid == lastremovedatom)) {
     LOG(3, "DEBUG: InstanceBoard emits atomRemoved for " << _atomid);
-    emit atomRemoved(lastremovedatomsmolecule.first, lastremovedatomsmolecule.second);
+    emit atomRemoved(lastremovedatom);
   } else
     ELOG(2, "QtObservedInstanceBoard::atomcountsubjectKilled() - id " << _atomid
-        << " not fitting with " << lastremovedatomsmolecule << " or " << lastremovedatom);
+        << " not fitting with " << lastremovedatom);
 }
 

src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp

@@ -89 +89 @@
 
 signals:
-  void atomInserted(const moleculeId_t _molid, const atomId_t _atomid);
-  void atomRemoved(const moleculeId_t _molid, const atomId_t _atomid);
+  void atomInserted(QtObservedAtom::ptr _atom);
+  void atomRemoved(const atomId_t _atomid);
   void atomIndexChanged(const atomId_t _oldid, const atomId_t _newid);
-  void moleculeInserted(const moleculeId_t _molid);
+  void moleculeInserted(QtObservedMolecule::ptr _mol);
   void moleculeRemoved(const moleculeId_t _molid);
   void moleculeIndexChanged(const moleculeId_t _oldid, const moleculeId_t _newid);
@@ -143 +143 @@
   atomId_t lastremovedatom;
 
-  //!> note down atom id of last removed atom to drop its ObservedValues
-  std::pair<moleculeId_t, atomId_t> lastremovedatomsmolecule;
-
   //!> note down molecule id of last removed molecule to drop its ObservedValues
   moleculeId_t lastremovedmolecule;

src/UIElements/Qt4/InstanceBoard/QtObservedMolecule.cpp

@@ -201 +201 @@
       {
         const atomId_t _id = _molecule->lastChangedAtomId();
+        QtObservedAtom::ptr _atom = board.getObservedAtom(_id);
         emit atomcountChanged();
-        emit atomInserted(_id);
+        emit atomInserted(_atom);
         emit bondcountChanged();
         emit boundingboxChanged();

src/UIElements/Qt4/InstanceBoard/QtObservedMolecule.hpp

@@ -28 +28 @@
 #include "UIElements/Qt4/InstanceBoard/ObservedValue_types.hpp"
 #include "UIElements/Qt4/InstanceBoard/ObservedValuesContainer.hpp"
+#include "UIElements/Qt4/InstanceBoard/QtObservedAtom.hpp"
 #include "types.hpp"
 
@@ -146 +147 @@
   void tesselationhullChanged();
   void boundingboxChanged();
-  void atomInserted(const atomId_t);
+  void atomInserted(QtObservedAtom::ptr);
   void atomRemoved(const atomId_t);
   void moleculeRemoved();