Changeset 98c35c for src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.cpp

Timestamp:

Feb 12, 2016, 11:15:23 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:

41e287

Parents:

0070aa

git-author:

Frederik Heber <heber@…> (10/28/15 13:57:10)

git-committer:

Frederik Heber <heber@…> (02/12/16 23:15:23)

Message:

Added rudimentary getter and returner for ObservedAtom/..Molecule() to InstanceBoard.

File:

• src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.cpp (modified) (13 diffs)

src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.cpp

@@ -142 +142 @@
 #endif
               moleculeObservedValues.insert(
-                  std::make_pair( _id, ObservedValues));
+                  std::make_pair( _id, std::make_pair(ObservedValues,0) ));
           ASSERT( inserter.second,
               "QtObservedInstanceBoard::recieveNotification() - could not insert ObservedValues for"
@@ -190 +190 @@
 #endif
               atomObservedValues.insert(
-                  std::make_pair( _id, ObservedValues));
+                  std::make_pair( _id, std::make_pair(ObservedValues,0) ));
           ASSERT( inserter.second,
               "QtObservedInstanceBoard::recieveNotification() - could not insert ObservedValues for"
@@ -259 +259 @@
           // change id here only if still present
           if (iter != moleculeObservedValues.end()) {
-            ObservedValues_t obsvalues = iter->second;
+            RefCountedObservedValues_t obsvalues = iter->second;
             moleculeObservedValues.erase(iter);
             ASSERT( moleculeObservedValues.find(newmoleculeId) == moleculeObservedValues.end(),
@@ -290 +290 @@
           // change id here only if still present
           if (iter != atomObservedValues.end()) {
-            ObservedValues_t obsvalues = iter->second;
+            RefCountedObservedValues_t obsvalues = iter->second;
             atomObservedValues.erase(iter);
             ASSERT( atomObservedValues.find(newatomId) == atomObservedValues.end(),
@@ -326 +326 @@
 
   if (iter->second > GLMoleculeObject_atom::MAX_ObservedTypes) {
+    ASSERT( atomObservedValues[_atomid].second == 0,
+        "QtObservedInstanceBoard::atomcountsubjectKilled() - observed Values for atom "
+        +toString(_atomid)+" are still being held somewhere.");
     if (_atomid == lastremovedatomsmolecule.second)
       emit atomRemoved(lastremovedatomsmolecule.first, lastremovedatomsmolecule.second);
@@ -347 +350 @@
 
   if (iter->second > GLMoleculeObject_molecule::MAX_ObservedTypes) {
+    ASSERT( moleculeObservedValues[_molid].second == 0,
+        "QtObservedInstanceBoard::moleculecountsubjectKilled() - observed Values for molecule "
+        +toString(_molid)+" are still being held somewhere.");
     // then free the instance
     emit moleculeRemoved(_molid);
@@ -353 +359 @@
 }
 
-QtObservedInstanceBoard::ObservedValues_t
+ObservedValues_t
 QtObservedInstanceBoard::getAtomObservedValues(const atomId_t _id)
 {
@@ -362 +368 @@
       +toString(_id));
   if (iter->first == _id) {
-    returnvalues = iter->second;
+    returnvalues = iter->second.first;
     atomObservedValues.erase(iter);
   }
@@ -368 +374 @@
 }
 
-QtObservedInstanceBoard::ObservedValues_t
+ObservedValues_t
 QtObservedInstanceBoard::getMoleculeObservedValues(const moleculeId_t _id)
 {
@@ -377 +383 @@
       +toString(_id));
   if (iter->first == _id) {
-    returnvalues = iter->second;
+    returnvalues = iter->second.first;
     moleculeObservedValues.erase(iter);
   }
@@ -392 +398 @@
 #endif
         atomObservedValues.insert(
-            std::make_pair( _id, _observedvalues) );
+            std::make_pair( _id, std::make_pair(_observedvalues,0) ) );
     ASSERT( inserter.second,
         "QtObservedInstanceBoard::returnAtomObservedValues() - could not insert ObservedValues for"
@@ -409 +415 @@
 #endif
           moleculeObservedValues.insert(
-              std::make_pair( _id, _observedvalues) );
+              std::make_pair( _id, std::make_pair(_observedvalues,0) ) );
       ASSERT( inserter.second,
           "QtObservedInstanceBoard::returnMoleculeObservedValues() - could not insert ObservedValues for"
@@ -416 +422 @@
     lastremovedmolecule = (moleculeId_t)-1;
 }
+
+QtObservedAtom::ptr QtObservedInstanceBoard::getObservedAtom(const atomId_t _id)
+{
+  atomObservedValues_t::iterator iter = atomObservedValues.find(_id);
+  ASSERT( iter != atomObservedValues.end(),
+      "QtObservedInstanceBoard::getObservedAtom() - no observed values present for atom "
+      +toString(_id));
+  const ObservedValues_t &obsvalues = iter->second.first;
+  // increase refcount
+  ++(iter->second.second);
+  QtObservedAtom::ptr _atom(new QtObservedAtom(obsvalues));
+
+  return _atom;
+}
+
+QtObservedMolecule::ptr QtObservedInstanceBoard::getObservedMolecule(const moleculeId_t _id)
+{
+  moleculeObservedValues_t::iterator iter = moleculeObservedValues.find(_id);
+  ASSERT( iter != moleculeObservedValues.end(),
+      "QtObservedInstanceBoard::getObservedMolecule() - no observed values present for molecule "
+      +toString(_id));
+  const ObservedValues_t &obsvalues = iter->second.first;
+  // increase refcount
+  ++(iter->second.second);
+  QtObservedMolecule::ptr _molecule(new QtObservedMolecule(obsvalues));
+
+  return _molecule;
+}
+
+void QtObservedInstanceBoard::returnObservedAtom(const atomId_t _id)
+{
+  atomObservedValues_t::iterator iter = atomObservedValues.find(_id);
+  ASSERT( iter != atomObservedValues.end(),
+      "QtObservedInstanceBoard::returnObservedAtom() - no observed values present for atom "
+      +toString(_id));
+  ASSERT( iter->second.second != 0,
+      "QtObservedInstanceBoard::returnObservedAtom() - all ObservedAtoms for atom "
+      +toString(_id)+" have already been returned.");
+  // decrease refcount
+  --(iter->second.second);
+  if (iter->second.second == 0) {
+    // free instance
+  }
+}
+
+void QtObservedInstanceBoard::returnObservedMolecule(const moleculeId_t _id)
+{
+  moleculeObservedValues_t::iterator iter = moleculeObservedValues.find(_id);
+  ASSERT( iter != moleculeObservedValues.end(),
+      "QtObservedInstanceBoard::returnObservedMolecule() - no observed values present for molecule "
+      +toString(_id));
+  ASSERT( iter->second.second != 0,
+      "QtObservedInstanceBoard::returnObservedMolecule() - all ObservedMolecules for molecule "
+      +toString(_id)+" have already been returned.");
+  // decrease refcount
+  --(iter->second.second);
+  if (iter->second.second == 0) {
+    // free instance
+  }
+}
+