Changeset 3da2fb for src

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:

35fbef

Parents:

694eae

git-author:

Frederik Heber <heber@…> (11/18/10 14:55:04)

git-committer:

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

Message:

New module MatrixVector_ops that contains matrix vector products.

• all functions are made friend of Vector, VectorContent and MatrixContent as needed. Hence, has to be in distinct header file from these.

Location:

src/LinearAlgebra

Files:

• Makefile.am (modified) (2 diffs)
• MatrixContent.cpp (modified) (1 diff)
• MatrixContent.hpp (modified) (3 diffs)
• MatrixVector_ops.cpp (added)
• MatrixVector_ops.hpp (added)
• Vector.hpp (modified) (2 diffs)
• VectorContent.hpp (modified) (2 diffs)

src/LinearAlgebra/Makefile.am

@@ -18 +18 @@
   linearsystemofequations.cpp \
   MatrixContent.cpp \
+  MatrixVector_ops.cpp \
   Plane.cpp \
   RealSpaceMatrix.cpp \
@@ -34 +35 @@
   linearsystemofequations.hpp \
   MatrixContent.hpp \
+  MatrixVector_ops.hpp \
   RealSpaceMatrix.hpp \
   Plane.hpp \

src/LinearAlgebra/MatrixContent.cpp

@@ -644 +644 @@
 }
 
-Vector operator*(const MatrixContent &mat,const Vector &vec)
-{
-  Vector result;
-  gsl_blas_dgemv( CblasNoTrans, 1.0, mat.content, vec.content->content, 0.0, result.content->content);
-  return result;
-}
 
 std::ostream & operator<<(std::ostream &ost, const MatrixContent &mat)

src/LinearAlgebra/MatrixContent.hpp

@@ -37 +37 @@
 #include <iosfwd>
 
-class Vector;
+#include "LinearAlgebra/MatrixVector_ops.hpp"
+
 class VectorContent;
 
@@ -47 +48 @@
 class MatrixContent
 {
-  friend Vector operator*(const MatrixContent &mat,const Vector &vec);
   friend std::ostream & operator<<(std::ostream &ost, const MatrixContent &mat);
   friend class RealSpaceMatrix;
   friend class LinearSystemOfEquations;
 
+  // matrix vector products
+  friend VectorContent const operator*(const VectorContent& vec, const MatrixContent& mat);
+  friend VectorContent const operator*(const MatrixContent& mat, const VectorContent& vec);
+
+  // unit tests
   friend class MatrixContentTest;
   friend class MatrixContentSymmetricTest;
@@ -123 +128 @@
 const MatrixContent operator*(const double factor,const MatrixContent& mat);
 const MatrixContent operator*(const MatrixContent &mat,const double factor);
-Vector operator*(const MatrixContent &mat,const Vector &vec);
 std::ostream & operator<<(std::ostream &ost, const MatrixContent &mat);
 

src/LinearAlgebra/Vector.hpp

@@ -32 +32 @@
  */
 class Vector : public Space{
-  friend Vector operator*(const MatrixContent&,const Vector&);
+  friend Vector const operator*(const MatrixContent&,const Vector&);
+  friend Vector const operator*(const Vector&,const MatrixContent&);
   friend class RealSpaceMatrix; // needs access to Vector(VectorContent*&) due to views
 public:
@@ -103 +104 @@
   virtual Vector getClosestPoint(const Vector &point) const;
 
+  explicit Vector(VectorContent *&);
+  explicit Vector(VectorContent &_content);
 protected:
 
 private:
-  explicit Vector(VectorContent *&);
-  explicit Vector(VectorContent &_content);
   VectorContent *content;
 

src/LinearAlgebra/VectorContent.hpp

@@ -22 +22 @@
 #include <gsl/gsl_vector.h>
 
+#include "LinearAlgebra/MatrixVector_ops.hpp"
+
 class Vector;
+class MatrixContent;
 
 /** Dummy structure to create a unique signature.
@@ -35 +38 @@
   friend VectorContent const operator+(const VectorContent& a, const VectorContent& b);
   friend VectorContent const operator-(const VectorContent& a, const VectorContent& b);
+
+  // matrix vector products
+  friend VectorContent const operator*(const VectorContent& vec, const MatrixContent& mat);
+  friend VectorContent const operator*(const MatrixContent& mat, const VectorContent& vec);
 
 public: