Changeset 1bd79e for src/SingleVector.hpp

Timestamp:

Apr 15, 2010, 10:54:26 AM (15 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, 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:

753f02

Parents:

273382

Message:

Changed implementation of Vector to forward operations to contained objects

File:

• src/SingleVector.hpp (modified) (4 diffs)

src/SingleVector.hpp

@@ -31 +31 @@
   virtual ~SingleVector();
 
-  virtual double Distance(const Vector &y) const;
   virtual double DistanceSquared(const Vector &y) const;
   virtual double DistanceToPlane(const Vector &PlaneNormal, const Vector &PlaneOffset) const;
@@ -37 +36 @@
   virtual double PeriodicDistanceSquared(const Vector &y, const double * const cell_size) const;
   virtual double ScalarProduct(const Vector &y) const;
-  virtual double Norm() const;
-  virtual double NormSquared() const;
   virtual double Angle(const Vector &y) const;
   virtual bool IsZero() const;
@@ -45 +42 @@
   virtual bool IsEqualTo(const Vector &a) const;
 
+  virtual void AddVector(const Vector &y);
+  virtual void SubtractVector(const Vector &y);
   virtual void VectorProduct(const Vector &y);
   virtual void ProjectOntoPlane(const Vector &y);
   virtual void ProjectIt(const Vector &y);
   virtual Vector Projection(const Vector &y) const;
-  virtual void Zero();
-  virtual void One(const double one);
-  virtual void Init(const double x1, const double x2, const double x3);
-  virtual void Normalize();
-  virtual void Translate(const Vector &x);
   virtual void Mirror(const Vector &x);
-  virtual void Scale(const double ** const factor);
-  virtual void Scale(const double * const factor);
+  virtual void ScaleAll(const double *factor);
   virtual void Scale(const double factor);
   virtual void MatrixMultiplication(const double * const M);
   virtual bool InverseMatrixMultiplication(const double * const M);
   virtual void KeepPeriodic(const double * const matrix);
-  virtual void LinearCombinationOfVectors(const Vector &x1, const Vector &x2, const Vector &x3, const double * const factors);
   virtual bool GetOneNormalVector(const Vector &x1);
   virtual bool MakeNormalTo(const Vector &y1);
-  //bool SolveSystem(Vector * x1, Vector * x2, Vector * y, const double alpha, const double beta, const double c);
   virtual bool IsInParallelepiped(const Vector &offset, const double * const parallelepiped) const;
   virtual void WrapPeriodically(const double * const M, const double * const Minv);
@@ -71 +62 @@
   virtual double& operator[](size_t i);
   virtual const double& operator[](size_t i) const;
-  virtual double& at(size_t i);
-  virtual const double& at(size_t i) const;
-
-  // Assignment operator
-  virtual Vector &operator=(const Vector& src);
 
   // Access to internal structure
   virtual double* get();
+protected:
 
 private:
+  // method used for protection, i.e. to avoid infinite recursion
+  // when our internal rep becomes messed up
+  virtual bool isBaseClass() const;
+  virtual SingleVector *clone() const;
+  void CopyVector(SingleVector &rhs);
   double x[NDIM];