Changeset ef9df36 for src/vector.hpp

Timestamp:

Aug 19, 2009, 12:23:05 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, 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:

99c484

Parents:

658efb

Message:

VectorUnitTest extended to Projections and Line intersection, some subsequent bug fixes.

• VectorUnitTest is now under noinst_PROGRAMS, not installed in bin anymore
• VectorUnitTest: EuclidianTest split up into EuclidianScalarProductTest,EuclidianNormTest,EuclidianDistancesTest,EuclidianDistancesTest
• New VectorUnitTests: ProjectionTest and LineIntersectionTest
• BUGFIX: Vector::GetIntersectionWithPlane() - bug due to LineVector renaming (LineVector, LineVector2 -> Origin, LineVector), used LineVector instead of Origin (LineVector however is now relative to Origin!)
• BUGFIX: Vector::GetIntersectionOfTwoLinesOnPlane() - completely rewritten, algorithm was non-sense or at least not understood.

Note: VectorUnitTest is running fine.

File:

• src/vector.hpp (modified) (3 diffs)

src/vector.hpp

@@ -27 +27 @@
   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 NormSquared() const;
@@ -33 +32 @@
   bool IsZero() const;
   bool IsOne() const;
+  bool IsNormalTo(const Vector *normal) const;
 
   void AddVector(const Vector *y);
   void SubtractVector(const Vector *y);
   void CopyVector(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 ProjectIt(const Vector *y);
+  Vector Projection(const Vector *y) const;
   void Zero();
   void One(double one);
@@ -68 +71 @@
 
 ostream & operator << (ostream& ost, const Vector &m);
+bool operator==(const Vector& a, const Vector& b);
 Vector& operator+=(Vector& a, const Vector& b);
 Vector& operator-=(Vector& a, const Vector& b);