Changeset 920c70 for src/helpers.cpp

Timestamp:

May 31, 2010, 1:09:58 PM (16 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, Candidate_v1.7.0, 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/helpers.cpp (modified) (7 diffs)

src/helpers.cpp

@@ -58 +58 @@
 int CountLinesinFile(ifstream &InputFile)
 {
-  char *buffer = Malloc<char>(MAXSTRINGSIZE, "CountLinesinFile: *buffer");
+  char *buffer = new char[MAXSTRINGSIZE];
   int lines=0;
 
@@ -70 +70 @@
   }
   InputFile.seekg(PositionMarker, ios::beg);
-  Free(&buffer);
+  delete[](buffer);
   return lines;
 };
@@ -90 +90 @@
   }
   // allocate string
-  returnstring = Malloc<char>(order + 2, "FixedDigitNumber: *returnstring");
+  returnstring = new char[order + 2];
   // terminate  and fill string array from end backward
   returnstring[order] = '\0';
@@ -122 +122 @@
 double * ReturnFullMatrixforSymmetric(const double * const symm)
 {
-  double *matrix = Malloc<double>(NDIM * NDIM, "molecule::ReturnFullMatrixforSymmetric: *matrix");
+  double *matrix = new double[NDIM * NDIM];
   matrix[0] = symm[0];
   matrix[1] = symm[1];
@@ -140 +140 @@
 double * InverseMatrix( const double * const A)
 {
-  double *B = Malloc<double>(NDIM * NDIM, "Vector::InverseMatrix: *B");
+  double *B = new double[NDIM * NDIM];
   double detA = RDET3(A);
   double detAReci;
@@ -196 +196 @@
 
   if (buffer != NULL) {
-    MemoryUsageObserver::getInstance()->addMemory(buffer, size);
+    //MemoryUsageObserver::getInstance()->addMemory(buffer, size);
   } else {
     Log() << Verbose(0) << "Malloc for datatype " << typeid(char).name()
@@ -206 +206 @@
 
 /**
- * Frees all memory registered by the memory observer and calls exit(225) afterwards.
+ * Calls exit(255).
  */
 void performCriticalExit() {
-//  map<void*, size_t> pointers = MemoryUsageObserver::getInstance()->getPointersToAllocatedMemory();
-//  for (map<void*, size_t>::iterator runner = pointers.begin(); runner != pointers.end(); runner++) {
-//    Free(((void**) &runner->first));
-//  }
-
   exit(255);
 }