Changeset b65901 for src/boundary.cpp

Timestamp:

Jul 9, 2009, 11:40:14 AM (15 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:

8cede7

Parents:

e72001

Message:

Fixed all of the remaining memory leaks due to CandidatesForTesselation list.

• Opt_Candidates list in Find_next_suitable_triangle() and Find_starting_triangle() was not deleted
• Also, all contained CandidatesForTesselation were not deleted
• the candidates list was cleared in Find_third_point_for_Tesselation() but the contained CandidatesForTesselation were not deleted

File:

• src/boundary.cpp (modified) (8 diffs)

src/boundary.cpp

@@ -249 +249 @@
 CandidateForTesselation::~CandidateForTesselation() {
         point = NULL;
+        BaseLine = NULL;
 }
 
@@ -1912 +1913 @@
   int N[NDIM], Nlower[NDIM], Nupper[NDIM];
   atom *Candidate = NULL;
-  CandidateForTesselation *optCandidate;
+  CandidateForTesselation *optCandidate = NULL;
 
   cout << Verbose(1) << "Begin of Find_third_point_for_Tesselation" << endl;
@@ -2021 +2022 @@
                             << alpha << " and circumsphere's center at " << optCandidate->OptCenter << "." << endl;
                         } else {
+                          // remove all candidates from the list and then the list itself
+                          class CandidateForTesselation *remover = NULL;
+                          for (CandidateList::iterator it = candidates->begin(); it != candidates->end(); ++it) {
+                            remover = *it;
+                            delete(remover);
+                          }
                           candidates->clear();
                           candidates->push_back(optCandidate);
@@ -2408 +2415 @@
   );
   cout << Verbose(1) << "Third Points are ";
-  CandidateList::iterator it;
-  for (it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
+  for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
       cout << " " << *(*it)->point;
   }
   cout << endl;
 
-  for (it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
+  for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
           // add third triangle point
           AddTrianglePoint((*it)->point, 2);
@@ -2440 +2446 @@
           }
   }
+  // remove all candidates from the list and then the list itself
+  class CandidateForTesselation *remover = NULL;
+  for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
+    remover = *it;
+    delete(remover);
+  }
+  delete(Opt_Candidates);
   cout << Verbose(2) << "Projection is " << BTS->NormalVector.Projection(&Oben) << "." << endl;
   cout << Verbose(1) << "End of Find_starting_triangle\n";
@@ -2572 +2585 @@
   }
   cout << Verbose(1) << "Third Points are ";
-  CandidateList::iterator it;
-  for (it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
+  for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
           cout << " " << *(*it)->point;
   }
@@ -2579 +2591 @@
 
   BoundaryLineSet *BaseRay = &Line;
-  for (it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
+  for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
           cout << Verbose(1) << " Third point candidate is " << *(*it)->point
                 << " with circumsphere's center at " << (*it)->OptCenter << "." << endl;
@@ -2701 +2713 @@
     // set baseline to new ray from ref point (here endpoints[0]->node) to current candidate (here (*it)->point))
           BaseRay = BLS[0];
-//    LineMap::iterator LineIterator = Line.endpoints[0]->lines.find((*it)->point->nr);
-//    for (; LineIterator != Line.endpoints[0]->lines.end(); LineIterator++) {
-//      if ((*LineIterator->second).TrianglesCount != 2)
-//        break;
-//    }
-//    if (LineIterator == Line.endpoints[0]->lines.end())
-//      cout << Verbose(1) << "ERROR: I could not find a suitable line with less than two triangles connected!" << endl;
-  }
-
+  }
+
+  // remove all candidates from the list and then the list itself
+  class CandidateForTesselation *remover = NULL;
+  for (CandidateList::iterator it = Opt_Candidates->begin(); it != Opt_Candidates->end(); ++it) {
+    remover = *it;
+    delete(remover);
+  }
+  delete(Opt_Candidates);
   cout << Verbose(1) << "End of Find_next_suitable_triangle\n";
   return result;