Changeset b73545 for src/Actions

Timestamp:

Sep 15, 2014, 2:28:50 PM (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:

7f1b51

Parents:

55736b (diff), 5524ae9 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'MemFixes' into stable

Conflicts:

src/Tesselation/boundary.cpp

• Lots of functions removed in boundary.cpp in Cleanup_old_code but seemingly also affected during MemFixes.

Location:

src/Actions

Files:

• ActionQueue.cpp (modified) (5 diffs)
• ActionQueue.hpp (modified) (4 diffs)
• AnalysisAction/DipoleAngularCorrelationAction.cpp (modified) (2 diffs)
• AnalysisAction/DipoleCorrelationAction.cpp (modified) (1 diff)
• AnalysisAction/PairCorrelationAction.cpp (modified) (1 diff)
• AnalysisAction/PointCorrelationAction.cpp (modified) (1 diff)
• AnalysisAction/SurfaceCorrelationAction.cpp (modified) (1 diff)
• CommandAction/ElementDbAction.cpp (modified) (2 diffs)
• PotentialAction/FitPotentialAction.cpp (modified) (1 diff)
• Process.cpp (modified) (1 diff)

src/Actions/ActionQueue.cpp

@@ -74 +74 @@
 #endif
 
-  // free all actions contained in actionqueue
-  for (ActionQueue_t::iterator iter = actionqueue.begin(); !actionqueue.empty(); iter = actionqueue.begin()) {
-    delete *iter;
-    actionqueue.erase(iter);
-  }
+  clearQueue();
 
   delete history;
@@ -86 +82 @@
 void ActionQueue::queueAction(const std::string &name, enum Action::QueryOptions state)
 {
-  queueAction(AR->getActionByName(name), state);
-}
-
-void ActionQueue::queueAction(Action *_action, enum Action::QueryOptions state)
+  const Action * const registryaction = AR->getActionByName(name);
+  queueAction(registryaction, state);
+}
+
+void ActionQueue::queueAction(const Action * const _action, enum Action::QueryOptions state)
 {
   Action *newaction = _action->clone(state);
@@ -104 +101 @@
     std::cerr << "Action " << *boost::get_error_info<ActionNameString>(e) << " has failed." << std::endl;
     World::getInstance().setExitFlag(5);
-    actionqueue.clear();
-    tempqueue.clear();
+    clearQueue();
+    lastActionOk = false;
+    std::cerr << "ActionQueue cleared." << std::endl;
+  } catch (std::exception &e) {
+    pushStatus("FAIL: General exception caught, aborting.");
+    World::getInstance().setExitFlag(134);
+    clearQueue();
     lastActionOk = false;
     std::cerr << "ActionQueue cleared." << std::endl;
@@ -167 +169 @@
         pushStatus("FAIL: Action "+*boost::get_error_info<ActionNameString>(e)+" has failed.");
         World::getInstance().setExitFlag(5);
-        actionqueue.clear();
-        tempqueue.clear();
+        clearQueue();
         lastActionOk = false;
+        std::cerr << "ActionQueue cleared." << std::endl;
+        CurrentAction = (size_t)-1;
+      } catch (std::exception &e) {
+        pushStatus("FAIL: General exception caught, aborting.");
+        World::getInstance().setExitFlag(134);
+        clearQueue();
         std::cerr << "ActionQueue cleared." << std::endl;
         CurrentAction = (size_t)-1;
@@ -289 +296 @@
 }
 
+void ActionQueue::clearQueue()
+{
+  // free all actions contained in actionqueue
+  for (ActionQueue_t::iterator iter = actionqueue.begin();
+      !actionqueue.empty(); iter = actionqueue.begin()) {
+    delete *iter;
+    actionqueue.erase(iter);
+  }
+  // free all actions contained in tempqueue
+  for (ActionQueue_t::iterator iter = tempqueue.begin();
+      !tempqueue.empty(); iter = tempqueue.begin()) {
+    delete *iter;
+    tempqueue.erase(iter);
+  }
+}
 
 const ActionQueue::ActionTokens_t ActionQueue::getListOfActions() const

src/Actions/ActionQueue.hpp

@@ -30 +30 @@
 void waitQueue();
 #endif
+
+class CommandLineParser;
 
 namespace MoleCuilder {
@@ -61 +63 @@
    * \param state whether Actions needs to be filled via a Dialog or not
    */
-  void queueAction(Action *_action, enum Action::QueryOptions state = Action::Interactive);
+  void queueAction(const Action * const _action, enum Action::QueryOptions state = Action::Interactive);
 
   /** Returns the spawned action by token \a name.
@@ -147 +149 @@
   //!> grant Action access to internal history functions.
   friend class Action;
+  //!> grant CommandLineParser access to stop and clearQueue()
+  friend class ::CommandLineParser;
 
   /** Wrapper function to add state to ActionHistory.
@@ -165 +169 @@
    */
   void clear();
+
+  /** Clears all actions currently present in the actionqueues.
+   *
+   */
+  void clearQueue();
 
 #ifdef HAVE_ACTION_THREAD

src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp

@@ -112 +112 @@
 
     // free correlation map
-    delete(correlationmap);
+    delete correlationmap;
 
     // output binned map
@@ -122 +122 @@
 
     // free binned map
-    delete(binmap);
+    delete binmap;
   }
 

src/Actions/AnalysisAction/DipoleCorrelationAction.cpp

@@ -73 +73 @@
   binmap = BinData( correlationmap, params.BinWidth.get(), params.BinStart.get(), params.BinEnd.get() );
   OutputCorrelationMap<BinPairMap> ( &binoutput, binmap, OutputCorrelation_Header, OutputCorrelation_Value );
-  delete(binmap);
-  delete(correlationmap);
+  delete binmap;
+  delete correlationmap;
   output.close();
   binoutput.close();

src/Actions/AnalysisAction/PairCorrelationAction.cpp

@@ -85 +85 @@
   binmap = BinData( correlationmap, params.BinWidth.get(), params.BinStart.get(), params.BinEnd.get() );
   OutputCorrelationMap<BinPairMap> ( &binoutput, binmap, OutputCorrelation_Header, OutputCorrelation_Value );
-  delete(binmap);
-  delete(correlationmap);
+  delete binmap;
+  delete correlationmap;
   output.close();
   binoutput.close();

src/Actions/AnalysisAction/PointCorrelationAction.cpp

@@ -79 +79 @@
   binmap = BinData( correlationmap, params.BinWidth.get(), params.BinStart.get(), params.BinEnd.get() );
   OutputCorrelationMap<BinPairMap> ( &binoutput, binmap, OutputCorrelation_Header, OutputCorrelation_Value );
-  delete(binmap);
-  delete(correlationmap);
+  delete binmap;
+  delete correlationmap;
   output.close();
   binoutput.close();

src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp

@@ -115 +115 @@
   OutputCorrelationMap<BinPairMap> ( &binoutput, binmap, OutputCorrelation_Header, OutputCorrelation_Value );
   delete TesselStruct;  // surfacemap contains refs to triangles! delete here, not earlier!
-  delete(binmap);
-  delete(surfacemap);
+  delete binmap;
+  delete surfacemap;
   output.close();
   binoutput.close();

src/Actions/CommandAction/ElementDbAction.cpp

@@ -67 +67 @@
   boost::archive::text_oarchive oa(undostream);
   oa << periode;
-  CommandElementDbState *UndoState =
-      new CommandElementDbState(
-          undostream.str(),
-          params
-          );
 
   // get the path
@@ -83 +78 @@
     STATUS("Element list loaded successfully.");
     //periode->Output();
-    return ActionState::ptr(UndoState);
+    return ActionState::ptr(new CommandElementDbState(undostream.str(),params));
   } else {
     STATUS("Element list loading failed.");
-    delete UndoState;
     return Action::failure;
   }

src/Actions/PotentialAction/FitPotentialAction.cpp

@@ -93 +93 @@
   LOG(2, "DEBUG: counts_per_charge is " << counts_per_charge << ".");
   // we want to check each (unique) key only once
-  HomologyContainer::const_key_iterator olditer = homologies.key_end();
-  for (HomologyContainer::const_key_iterator iter =
-      homologies.key_begin(); iter != homologies.key_end(); olditer = iter++) {
-    // if it's the same as the old one, skip it
-    if (*olditer == *iter)
-      continue;
-    // if it's a new key, check if every element has the right number of counts
+  for (HomologyContainer::const_key_iterator iter = homologies.key_begin();
+      iter != homologies.key_end(); iter = homologies.getNextKey(iter)) {
+    // check if every element has the right number of counts
     Extractors::elementcounts_t::const_iterator countiter = counts_per_charge.begin();
     for (; countiter != counts_per_charge.end(); ++countiter)

src/Actions/Process.cpp

@@ -52 +52 @@
 Process::~Process()
 {
-  // make sure everybody knows we have stoped
-  stop();
+  // if active make sure everybody knows we have stopped
+  if (active)
+    stop();
 }