Changeset b84d5d for src/vector.cpp

Timestamp:

Feb 26, 2010, 9:55:28 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:

1ec0ac

Parents:

e3cbf9

Message:

FIX: operator implementation of Vector algebra was wrong and caused memory leaks.

• operator+, operator- and operator* were implemented as creating new Vectors and returning its pointer instead of creating an object and returning it as constant. This would cause memory leaks, as these pointers in complex algebraic expressions would never get free'd.
• return values of operatorx= with x in {+,-,*} have been made const (suggested by Meyers' Effective C++)

File:

• src/vector.cpp (modified) (8 diffs)

src/vector.cpp

@@ -328 +328 @@
     return false;
   }
+  delete(M);
   Log() << Verbose(1) << "INFO: Line1a = " << *Line1a << ", Line1b = " << *Line1b << ", Line2a = " << *Line2a << ", Line2b = " << *Line2b << "." << endl;
 
@@ -583 +584 @@
  * \return lhs + a
  */
-Vector& operator+=(Vector& a, const Vector& b)
+const Vector& operator+=(Vector& a, const Vector& b)
 {
   a.AddVector(&b);
@@ -594 +595 @@
  * \return lhs - a
  */
-Vector& operator-=(Vector& a, const Vector& b)
+const Vector& operator-=(Vector& a, const Vector& b)
 {
   a.SubtractVector(&b);
@@ -605 +606 @@
  * \return lhs.x[i] * m
  */
-Vector& operator*=(Vector& a, const double m)
+const Vector& operator*=(Vector& a, const double m)
 {
   a.Scale(m);
@@ -616 +617 @@
  * \return a + b
  */
-Vector& operator+(const Vector& a, const Vector& b)
-{
-  Vector *x = new Vector;
-  x->CopyVector(&a);
-  x->AddVector(&b);
-  return *x;
+Vector const operator+(const Vector& a, const Vector& b)
+{
+  Vector x(a);
+  x.AddVector(&b);
+  return x;
 };
 
@@ -629 +629 @@
  * \return a - b
  */
-Vector& operator-(const Vector& a, const Vector& b)
-{
-  Vector *x = new Vector;
-  x->CopyVector(&a);
-  x->SubtractVector(&b);
-  return *x;
+Vector const operator-(const Vector& a, const Vector& b)
+{
+  Vector x(a);
+  x.SubtractVector(&b);
+  return x;
 };
 
@@ -642 +641 @@
  * \return m * a
  */
-Vector& operator*(const Vector& a, const double m)
-{
-  Vector *x = new Vector;
-  x->CopyVector(&a);
-  x->Scale(m);
-  return *x;
+Vector const operator*(const Vector& a, const double m)
+{
+  Vector x(a);
+  x.Scale(m);
+  return x;
 };
 
@@ -655 +653 @@
  * \return m * a
  */
-Vector& operator*(const double m, const Vector& a )
-{
-  Vector *x = new Vector;
-  x->CopyVector(&a);
-  x->Scale(m);
-  return *x;
-};
-
-Vector& Vector::operator=(const Vector& src) {
-  CopyVector(src);
-  return *this;
-}
+Vector const operator*(const double m, const Vector& a )
+{
+  Vector x(a);
+  x.Scale(m);
+  return x;
+};
 
 /** Prints a 3dim vector.