Changeset 753f02 for src/vector.hpp

Timestamp:

Apr 28, 2010, 2:52:56 PM (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:

8cbb97

Parents:

1bd79e

Message:

Removed Algebraic Hierachy from vector.

File:

• src/vector.hpp (modified) (2 diffs)

src/vector.hpp

@@ -37 +37 @@
   // Method implemented by forwarding to the Representation
 
-  virtual double DistanceSquared(const Vector &y) const;
-  virtual double DistanceToPlane(const Vector &PlaneNormal, const Vector &PlaneOffset) const;
-  virtual double PeriodicDistance(const Vector &y, const double * const cell_size) const;
-  virtual double PeriodicDistanceSquared(const Vector &y, const double * const cell_size) const;
-  virtual double ScalarProduct(const Vector &y) const;
-  virtual double Angle(const Vector &y) const;
-  virtual bool IsZero() const;
-  virtual bool IsOne() const;
-  virtual bool IsNormalTo(const Vector &normal) const;
-  virtual bool IsEqualTo(const Vector &a) const;
+  double DistanceSquared(const Vector &y) const;
+  double DistanceToPlane(const Vector &PlaneNormal, const Vector &PlaneOffset) const;
+  double PeriodicDistance(const Vector &y, const double * const cell_size) const;
+  double PeriodicDistanceSquared(const Vector &y, const double * const cell_size) const;
+  double ScalarProduct(const Vector &y) const;
+  double Angle(const Vector &y) const;
+  bool IsZero() const;
+  bool IsOne() const;
+  bool IsNormalTo(const Vector &normal) const;
+  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 Mirror(const Vector &x);
-  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 bool GetOneNormalVector(const Vector &x1);
-  virtual bool MakeNormalTo(const Vector &y1);
-  virtual bool IsInParallelepiped(const Vector &offset, const double * const parallelepiped) const;
-  virtual void WrapPeriodically(const double * const M, const double * const Minv);
+  void AddVector(const Vector &y);
+  void SubtractVector(const Vector &y);
+  void VectorProduct(const Vector &y);
+  void ProjectOntoPlane(const Vector &y);
+  void ProjectIt(const Vector &y);
+  Vector Projection(const Vector &y) const;
+  void Mirror(const Vector &x);
+  void ScaleAll(const double *factor);
+  void Scale(const double factor);
+  void MatrixMultiplication(const double * const M);
+  bool InverseMatrixMultiplication(const double * const M);
+  void KeepPeriodic(const double * const matrix);
+  bool GetOneNormalVector(const Vector &x1);
+  bool MakeNormalTo(const Vector &y1);
+  bool IsInParallelepiped(const Vector &offset, const double * const parallelepiped) const;
+  void WrapPeriodically(const double * const M, const double * const Minv);
 
   // Accessors ussually come in pairs... and sometimes even more than that
-  virtual double& operator[](size_t i);
-  virtual const double& operator[](size_t i) const;
+  double& operator[](size_t i);
+  const double& operator[](size_t i) const;
   double& at(size_t i);
   const double& at(size_t i) const;
 
   // Assignment operator
-  virtual Vector &operator=(const Vector& src);
+  Vector &operator=(const Vector& src);
 
   // Access to internal structure
-  virtual double* get();
+  double* get();
 
   // Methods that are derived directly from other methods
@@ -94 +94 @@
 
 protected:
-  typedef std::auto_ptr<Vector> rep_ptr;
-  Vector(Baseconstructor);
-  Vector(Baseconstructor,const Vector*);
-  static Vector VecFromRep(const Vector*);
 
 private:
-  // method used for protection, i.e. to avoid infinite recursion
-  // when our internal rep becomes messed up
-  virtual bool isBaseClass() const;
-  virtual Vector* clone() const;
-  // this is used to represent the vector internally
-  rep_ptr rep;
+  double x[NDIM];
 
 };