Changeset a33931 for src/builder.cpp

Timestamp:

Oct 5, 2009, 4:05:53 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:

c26f44

Parents:

7dea7c (diff), c0917c (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 'ConcaveHull' into ConvexHull

Conflicts:

.gitignore
molecuilder/src/Makefile.am
molecuilder/src/atom.cpp
molecuilder/src/tesselation.cpp

no serious overlaps, just a free Frees that were not present in ConcaveHull were MemoryAllocator class was added.

File:

• src/builder.cpp (modified) (4 diffs, 1 prop)

src/builder.cpp

@@ -53 +53 @@
 #include "ellipsoid.hpp"
 #include "helpers.hpp"
+#include "memoryusageobserverunittest.hpp"
 #include "molecules.hpp"
 /********************************************* Subsubmenu routine ************************************/
@@ -1558 +1559 @@
                   delete(Subgraphs);
                   for (int i=0;i<FragmentCounter;i++)
-                    Free((void **)&ListOfLocalAtoms[FragmentCounter], "ParseCommandLineOptions: **ListOfLocalAtoms[]");
-                  Free((void **)&ListOfLocalAtoms, "ParseCommandLineOptions: ***ListOfLocalAtoms");
+                    Free(&ListOfLocalAtoms[FragmentCounter]);
+                  Free(&ListOfLocalAtoms);
                 }
                 delete(BackEdgeStack);
@@ -2041 +2042 @@
       delete(molecules); // also free's all molecules contained
       delete(periode);
-      return j;
+      cout << Verbose(0) <<  "Maximum of allocated memory: "
+        << MemoryUsageObserver::getInstance()->getMaximumUsedMemory() << endl;
+      cout << Verbose(0) <<  "Remaining non-freed memory: "
+        << MemoryUsageObserver::getInstance()->getUsedMemorySize() << endl;
+     return j;
       break;
     case 1:  // just for -v and -h options
       delete(molecules); // also free's all molecules contained
       delete(periode);
+      cout << Verbose(0) <<  "Maximum of allocated memory: "
+        << MemoryUsageObserver::getInstance()->getMaximumUsedMemory() << endl;
+      cout << Verbose(0) <<  "Remaining non-freed memory: "
+        << MemoryUsageObserver::getInstance()->getUsedMemorySize() << endl;
       return 0;
       break;
@@ -2144 +2153 @@
   delete(molecules); // also free's all molecules contained
   delete(periode);
+
+  cout << Verbose(0) <<  "Maximum of allocated memory: "
+    << MemoryUsageObserver::getInstance()->getMaximumUsedMemory() << endl;
+  cout << Verbose(0) <<  "Remaining non-freed memory: "
+    << MemoryUsageObserver::getInstance()->getUsedMemorySize() << endl;
+
   return (0);
 }