Changeset d85c28 for src/LinearAlgebra

Timestamp:

Dec 4, 2010, 11:56:27 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:

4c57fb

Parents:

041462

git-author:

Frederik Heber <heber@…> (11/16/10 12:33:51)

git-committer:

Frederik Heber <heber@…> (12/04/10 23:56:27)

Message:

Added Hadamard product by overloading MatrixContent::operator&(..) and operator&=(..).

• the Hadamard product is a component-wise product which we need for subspace factorization.

Location:

src/LinearAlgebra

Files:

• MatrixContent.cpp (modified) (1 diff)
• MatrixContent.hpp (modified) (1 diff)

src/LinearAlgebra/MatrixContent.cpp ¶

@@ -224 +224 @@
   gsl_matrix_free(res);
   return tmp;
+}
+
+/** Hadamard multiplication with copy operator.
+ * The Hadamard product is component-wise matrix product.
+ * \param &rhs matrix to hadamard-multiply with
+ * \return reference to newly allocated MatrixContent
+ */
+const MatrixContent MatrixContent::operator&(const MatrixContent &rhs) const
+{
+  ASSERT ((rows == rhs.rows) && (columns == rhs.columns),
+      "MatrixContent::operator&() - dimensions not match for matrix product (a,b) != (b,c):"
+      "("+toString(rows)+","+toString(columns)+") != ("+toString(rhs.rows)+","+toString(rhs.columns)+")");
+  gsl_matrix *res = gsl_matrix_alloc(rows, rhs.columns);
+  for (size_t i=0;i<rows;++i)
+    for (size_t j=0;j<columns;++j)
+      gsl_matrix_set(res, i,j, gsl_matrix_get(content, i,j)*gsl_matrix_get(rhs.content, i,j));
+  // gsl_matrix is taken over by constructor, hence no free
+  MatrixContent tmp(res);
+  gsl_matrix_free(res);
+  return tmp;
+}
+
+/** Hadamard multiplication with copy operator.
+ * The Hadamard product is component-wise matrix product.
+ * Note that Hadamard product can easily be done on top of \a *this matrix.
+ * Hence, we don't need to use the multiply and copy operator as in the case of
+ * MatrixContent::operator*=().
+ * \param &rhs matrix to hadamard-multiply with
+ * \return reference to newly allocated MatrixContent
+ */
+const MatrixContent &MatrixContent::operator&=(const MatrixContent &rhs)
+{
+  ASSERT ((rows == rhs.rows) && (columns == rhs.columns),
+      "MatrixContent::operator&() - dimensions not match for matrix product (a,b) != (b,c):"
+      "("+toString(rows)+","+toString(columns)+") != ("+toString(rhs.rows)+","+toString(rhs.columns)+")");
+  for (size_t i=0;i<rows;++i)
+    for (size_t j=0;j<columns;++j)
+      gsl_matrix_set(content, i,j, gsl_matrix_get(content, i,j)*gsl_matrix_get(rhs.content, i,j));
+  return *this;
 }
 

src/LinearAlgebra/MatrixContent.hpp ¶

@@ -97 +97 @@
   const MatrixContent &operator*=(const MatrixContent &rhs);
   const MatrixContent operator*(const MatrixContent &rhs) const;
+  const MatrixContent &operator&=(const MatrixContent &rhs);
+  const MatrixContent operator&(const MatrixContent &rhs) const;
   const MatrixContent &operator*=(const double factor);
   bool operator==(const MatrixContent &rhs) const;