Changeset 694eae

Timestamp:

Dec 4, 2010, 11:56:28 PM (14 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:

3da2fb

Parents:

3dd9c7

git-author:

Frederik Heber <heber@…> (11/18/10 14:53:46)

git-committer:

Frederik Heber <heber@…> (12/04/10 23:56:28)

Message:

Implemenation of Vector::Norm(), ... now depend on VectorContent.

• made operator*[=](double) into member functions.

Location:

src/LinearAlgebra

Files:

• Vector.cpp (modified) (5 diffs)
• Vector.hpp (modified) (2 diffs)

src/LinearAlgebra/Vector.cpp

@@ -236 +236 @@
 double Vector::Norm() const
 {
-  return (sqrt(NormSquared()));
+  return (content->Norm());
 };
 
@@ -244 +244 @@
 double Vector::NormSquared() const
 {
-  return (ScalarProduct(*this));
+  return (content->NormSquared());
 };
 
@@ -251 +251 @@
 void Vector::Normalize()
 {
-  double factor = Norm();
-  (*this) *= 1/factor;
+  content->Normalize();
 };
 
@@ -395 +394 @@
 };
 
-/** factor each component of \a a times a double \a m.
- * \param a base vector
+/** factor each component of \a *this times \a m.
  * \param m factor
- * \return lhs.x[i] * m
- */
-const Vector& operator*=(Vector& a, const double m)
-{
-  a.Scale(m);
-  return a;
+ * \return \f$(\text{*this} \cdot m\f$
+ */
+const Vector& Vector::operator*=(const double m)
+{
+  Scale(m);
+  return *this;
 };
 
@@ -430 +428 @@
 };
 
-/** Factors given vector \a a times \a m.
- * \param a vector
+/** Factors given vector \a *this times \a m.
  * \param m factor
- * \return m * a
- */
-Vector const operator*(const Vector& a, const double m)
-{
-  Vector x(a);
+ * \return \f$(\text{*this} \cdot m)\f$
+ */
+const Vector Vector::operator*(const double m) const
+{
+  Vector x(*this);
   x.Scale(m);
   return x;

src/LinearAlgebra/Vector.hpp

@@ -96 +96 @@
   Vector const operator+(const Vector& b) const;
   Vector const operator-(const Vector& b) const;
+  const Vector& operator*=(const double m);
+  const Vector operator*(const double m) const;
 
   // Methods inherited from Space
@@ -115 +117 @@
 
 ostream & operator << (ostream& ost, const Vector &m);
-const Vector& operator*=(Vector& a, const double m);
-Vector const operator*(const Vector& a, const double m);
-Vector const operator*(const double m, const Vector& a);
+const Vector operator*(const double m, const Vector& a);
 
 #endif /*VECTOR_HPP_*/