Changeset 4b94bb

Timestamp:

Jul 1, 2010, 2:48:50 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:

456341

Parents:

c550dd

Message:

Moved Vector-Matrix operations to matrix class

Location:

src

Files:

• Matrix.cpp (modified) (2 diffs)
• Matrix.hpp (modified) (1 diff)
• vector.cpp (modified) (2 diffs)
• vector.hpp (modified) (2 diffs)

src/Matrix.cpp

@@ -11 +11 @@
 #include "Helpers/fast_functions.hpp"
 #include "Helpers/Assert.hpp"
+#include "vector.hpp"
 
 #include <gsl/gsl_blas.h>
@@ -192 +193 @@
   return ost;
 }
+
+Vector operator*(const Matrix &mat,const Vector &vec){
+  gsl_vector *res = gsl_vector_calloc(NDIM);
+  gsl_blas_dgemv( CblasNoTrans, 1.0, mat.content, vec.content, 0.0, res);
+  return Vector(res);
+}
+
+Vector &operator*=(Vector& lhs,const Matrix &mat){
+  lhs = mat*lhs;
+  return lhs;
+}
+

src/Matrix.hpp

@@ -59 +59 @@
 
 std::ostream &operator<<(std::ostream&,const Matrix&);
+Vector operator*(const Matrix&,const Vector&);
+Vector& operator*=(Vector&,const Matrix&);
 
 #endif /* MATRIX_HPP_ */

src/vector.cpp

@@ -8 +8 @@
 
 #include "vector.hpp"
-#include "Matrix.hpp"
 #include "verbose.hpp"
 #include "World.hpp"
@@ -361 +360 @@
   return x;
 };
-
-Vector &Vector::operator*=(const Matrix &mat){
-  (*this) = mat*(*this);
-  return *this;
-}
-
-Vector operator*(const Matrix &mat,const Vector &vec){
-  gsl_vector *res = gsl_vector_calloc(NDIM);
-  gsl_blas_dgemv( CblasNoTrans, 1.0, mat.content, vec.content, 0.0, res);
-  return Vector(res);
-}
-
 
 /** Factors given vector \a a times \a m.

src/vector.hpp

@@ -90 +90 @@
   Vector const operator+(const Vector& b) const;
   Vector const operator-(const Vector& b) const;
-  Vector& operator*=(const Matrix&);
 
   // Methods inherited from Space
@@ -114 +113 @@
 Vector const operator*(const Vector& a, const double m);
 Vector const operator*(const double m, const Vector& a);
-Vector operator*(const Matrix&,const Vector&);
-
 
 #endif /*VECTOR_HPP_*/