Changeset 6ac7ee for src/vector.hpp

Timestamp:

Feb 9, 2009, 5:24:10 PM (16 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:

d8b94a

Parents:

124df1

git-author:

Frederik Heber <heber@…> (02/09/09 15:55:37)

git-committer:

Frederik Heber <heber@…> (02/09/09 17:24:10)

Message:

Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull

Conflicts:

molecuilder/src/boundary.cpp
molecuilder/src/boundary.hpp
molecuilder/src/builder.cpp
molecuilder/src/linkedcell.cpp
molecuilder/src/linkedcell.hpp
molecuilder/src/vector.cpp
molecuilder/src/vector.hpp
util/src/NanoCreator.c

Basically, this resulted from a lot of conversions two from spaces to one tab, which is my standard indentation. The mess was caused by eclipse auto-indenting. And in espack2:ConcaveHull was the new stuff, so all from ConcaveHull was replaced in case of doubt.
Additionally, vector had ofstream << operator instead ostream << ...

File:

• src/vector.hpp (modified) (1 diff, 1 prop)

src/vector.hpp

@@ -8 +8 @@
  */
 class Vector {
-  public:
-    double x[NDIM];
+        public:
+                double x[NDIM];
 
-  Vector();
-  Vector(double x1, double x2, double x3);
-  ~Vector();
+        Vector();
+        Vector(double x1, double x2, double x3);
+        ~Vector();
 
-  double Distance(const Vector *y) const;
-  double DistanceSquared(const Vector *y) const;
-  double PeriodicDistance(const Vector *y, const double *cell_size) const;
-  double ScalarProduct(const Vector *y) const;
-  double Projection(const Vector *y) const;
-  double Norm() const ;
-  double Angle(Vector *y) const;
+        double Distance(const Vector *y) const;
+        double DistanceSquared(const Vector *y) const;
+        double PeriodicDistance(const Vector *y, const double *cell_size) const;
+        double PeriodicDistanceSquared(const Vector *y, const double *cell_size) const;
+        double ScalarProduct(const Vector *y) const;
+        double Projection(const Vector *y) const;
+        double Norm() const ;
+        double Angle(const Vector *y) const;
 
-  void AddVector(const Vector *y);
-  void SubtractVector(const Vector *y);
-  void CopyVector(const Vector *y);
-  void RotateVector(const Vector *y, const double alpha);
-  void VectorProduct(const Vector *y);
-  void ProjectOntoPlane(const Vector *y);
-  void Zero();
-  void One(double one);
-  void Init(double x1, double x2, double x3);
-  void Normalize();
-  void Translate(const Vector *x);
-  void Mirror(const Vector *x);
-  void Scale(double **factor);
-  void Scale(double *factor);
-  void Scale(double factor);
-  void MatrixMultiplication(double *M);
-  void InverseMatrixMultiplication(double *M);
-  void KeepPeriodic(ofstream *out, double *matrix);
-  void LinearCombinationOfVectors(const Vector *x1, const Vector *x2, const Vector *x3, double *factors);
-
-  double CutsPlaneAt(Vector *A, Vector *B, Vector *C);
-  bool GetOneNormalVector(const Vector *x1);
-  bool MakeNormalVector(const Vector *y1);
-  bool MakeNormalVector(const Vector *y1, const Vector *y2);
-  bool MakeNormalVector(const Vector *x1, const Vector *x2, const Vector *x3);
-  bool SolveSystem(Vector *x1, Vector *x2, Vector *y, double alpha, double beta, double c);
-  bool LSQdistance(Vector **vectors, int dim);
-
-  void AskPosition(double *cell_size, bool check);
-  bool Output(ofstream *out) const;
+        void AddVector(const Vector *y);
+        void SubtractVector(const Vector *y);
+        void CopyVector(const Vector *y);
+        void RotateVector(const Vector *y, const double alpha);
+        void VectorProduct(const Vector *y);
+        void ProjectOntoPlane(const Vector *y);
+        void Zero();
+        void One(double one);
+        void Init(double x1, double x2, double x3);
+        void Normalize();
+        void Translate(const Vector *x);
+        void Mirror(const Vector *x);
+        void Scale(double **factor);
+        void Scale(double *factor);
+        void Scale(double factor);
+        void MatrixMultiplication(double *M);
+        void InverseMatrixMultiplication(double *M);
+        void KeepPeriodic(ofstream *out, double *matrix);
+        void LinearCombinationOfVectors(const Vector *x1, const Vector *x2, const Vector *x3, double *factors);
+        double CutsPlaneAt(Vector *A, Vector *B, Vector *C);
+        bool GetOneNormalVector(const Vector *x1);
+        bool MakeNormalVector(const Vector *y1);
+        bool MakeNormalVector(const Vector *y1, const Vector *y2);
+        bool MakeNormalVector(const Vector *x1, const Vector *x2, const Vector *x3);
+        bool SolveSystem(Vector *x1, Vector *x2, Vector *y, double alpha, double beta, double c);
+        bool LSQdistance(Vector **vectors, int dim);
+        void AskPosition(double *cell_size, bool check);
+        bool Output(ofstream *out) const;
 };
 
-ofstream& operator<<(ofstream& ost, Vector& m);
-Vector& operator+=(Vector& a, const Vector& b);
-Vector& operator*=(Vector& a, const double m);
-Vector& operator*(const Vector& a, const double m);
-Vector& operator+(const Vector& a, const Vector& b);
+ostream & operator << (ostream& ost, Vector &m);
+//Vector& operator+=(Vector& a, const Vector& b);
+//Vector& operator*=(Vector& a, const double m);
+//Vector& operator*(const Vector& a, const double m);
+//Vector& operator+(const Vector& a, const Vector& b);
 
 #endif /*VECTOR_HPP_*/