Changeset a1510d for src/vector.cpp

Timestamp:

Feb 26, 2010, 1:57:01 PM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

a28a83, dbb474

Parents:

1f2217 (diff), e6fdbe (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 'FreddiesRefactoring' into StructureRefactoring

Conflicts:

molecuilder/src/Patterns/Observer.cpp
molecuilder/src/World.cpp
molecuilder/src/boundary.cpp
molecuilder/src/molecule_dynamics.cpp
molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp
molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp
molecuilder/src/unittests/AnalysisPairCorrelationUnitTest.cpp
molecuilder/src/unittests/Makefile.am
molecuilder/src/unittests/bondgraphunittest.cpp
molecuilder/src/unittests/listofbondsunittest.cpp

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.