Changeset 920c70 for src/builder.cpp

Timestamp:

May 31, 2010, 1:09:58 PM (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:

42af9e

Parents:

87b597

Message:

Removed all Malloc/Calloc/ReAlloc (&Free) and replaced by new and delete/delete[].

Due to the new MemDebug framework there is no need (or even unnecessary/unwanted competition between it and) for the MemoryAllocator and ..UsageObserver anymore.
They can however still be used with c codes such as pcp and alikes.

In Molecuilder lots of glibc corruptions arose and the C-like syntax make it generally harder to get allocation and deallocation straight.

Signed-off-by: Frederik Heber <heber@…>

File:

• src/builder.cpp (modified) (6 diffs)

src/builder.cpp

@@ -1750 +1750 @@
                   delete(Subgraphs);
                   for (int i=0;i<FragmentCounter;i++)
-                    Free(&ListOfLocalAtoms[i]);
-                  Free(&ListOfLocalAtoms);
+                    delete[](ListOfLocalAtoms[i]);
+                  delete[](ListOfLocalAtoms);
                 }
                 delete(BackEdgeStack);
@@ -1883 +1883 @@
                             counter++;
                           }
-                          bool *Actives = Malloc<bool>(counter, "ParseCommandLineOptions() - case C -- *Actives");
+                          bool *Actives = new bool[counter];
                           counter = 0;
                           for (MoleculeList::iterator BigFinder = molecules->ListOfMolecules.begin(); BigFinder != molecules->ListOfMolecules.end(); BigFinder++) {
@@ -1911 +1911 @@
                           for (MoleculeList::iterator BigFinder = molecules->ListOfMolecules.begin(); BigFinder != molecules->ListOfMolecules.end(); BigFinder++)
                             (*BigFinder)->ActiveFlag = Actives[counter++];
-                          Free(&Actives);
+                          delete[](Actives);
                           delete(LCList);
                           delete(TesselStruct);
@@ -2443 +2443 @@
 void cleanUp(){
   World::purgeInstance();
-  Log() << Verbose(0) <<  "Maximum of allocated memory: "
-    << MemoryUsageObserver::getInstance()->getMaximumUsedMemory() << endl;
-  Log() << Verbose(0) <<  "Remaining non-freed memory: "
-    << MemoryUsageObserver::getInstance()->getUsedMemorySize() << endl;
-  MemoryUsageObserver::purgeInstance();
   logger::purgeInstance();
   errorLogger::purgeInstance();
@@ -2497 +2492 @@
       ExitFlag = ParseCommandLineOptions(argc,argv,World::getInstance().getMolecules(),World::getInstance().getPeriode(),*World::getInstance().getConfig(), &ConfigFileName, ArgcList);
       // copy all remaining arguments to a new argv
-      Arguments = Malloc<char *>(ArgcList.size(), "main - **Arguments");
+      Arguments = new char *[ArgcList.size()];
       cout << "The following arguments are handled by CommandLineParser: ";
       for (set<int>::iterator ArgcRunner = ArgcList.begin(); ArgcRunner != ArgcList.end(); ++ArgcRunner) {
-        Arguments[ArgcSize] = Malloc<char>(strlen(argv[*ArgcRunner])+2, "main - *Arguments[]");
+        Arguments[ArgcSize] = new char[strlen(argv[*ArgcRunner])+2];
         strcpy(Arguments[ArgcSize], argv[*ArgcRunner]);
         cout << " " << argv[*ArgcRunner];
@@ -2536 +2531 @@
   if (ArgumentsCopied) {
     for (int i=0; i<ArgcSize;i++)
-      Free(&Arguments[i]);
-    Free(&Arguments);
+      delete[](Arguments[i]);
+    delete[](Arguments);
   }
   delete[](ConfigFileName);