Changeset 8e9ce1 for src/LinearAlgebra/MatrixContent.cpp

Timestamp:

Dec 4, 2010, 11:56:27 PM (15 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:

ef0c6b

Parents:

b4cf2b

git-author:

Frederik Heber <heber@…> (11/16/10 10:42:35)

git-committer:

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

Message:

Added MatrixViewContent to allow views on blocks of a gsl_matrix.

• dummy struct BaseCase is now Matrix/VectorBaseCase.

File:

• src/LinearAlgebra/MatrixContent.cpp (modified) (7 diffs)

src/LinearAlgebra/MatrixContent.cpp

@@ -48 +48 @@
 }
 
+/** Constructor of class VectorContent.
+ * We need this MatrixBaseCase for the VectorContentView class.
+ * There no content should be allocated, as it is just a view with an internal
+ * gsl_vector_view. Hence, MatrixBaseCase is just dummy class to give the
+ * constructor a unique signature.
+ * \param MatrixBaseCase
+ */
+MatrixContent::MatrixContent(size_t _rows, size_t _columns, MatrixBaseCase) :
+    rows(_rows),
+    columns(_columns)
+{}
+
 /** Constructor for class MatrixContent.
  * \param rows number of rows
@@ -54 +66 @@
  */
 MatrixContent::MatrixContent(size_t _rows, size_t _columns, const double *src) :
-        rows(_rows),
-        columns(_columns)
+    rows(_rows),
+    columns(_columns)
 {
   content = gsl_matrix_calloc(rows, columns);
@@ -77 +89 @@
  */
 MatrixContent::MatrixContent(gsl_matrix *&src) :
-        rows(src->size1),
-        columns(src->size2)
+    rows(src->size1),
+    columns(src->size2)
 {
   content = gsl_matrix_alloc(src->size1, src->size2);
@@ -90 +102 @@
  */
 MatrixContent::MatrixContent(const MatrixContent &src) :
-        rows(src.rows),
-        columns(src.columns)
+    rows(src.rows),
+    columns(src.columns)
 {
   content = gsl_matrix_alloc(src.rows, src.columns);
@@ -101 +113 @@
  */
 MatrixContent::MatrixContent(const MatrixContent *src) :
-        rows(src->rows),
-        columns(src->columns)
+    rows(src->rows),
+    columns(src->columns)
 {
   ASSERT(src != NULL, "MatrixContent::MatrixContent - pointer to source matrix is NULL!");
@@ -376 +388 @@
     }
 
+    // show squared matrix
+    MatrixContent *ContentSquare = new MatrixViewContent(gsl_matrix_submatrix(content,0,0,content->size1, content->size2));
+    std::cout << "The squared matrix is " << *ContentSquare << std::endl;
+    delete ContentSquare;
+
     // solve eigenvalue problem
     gsl_eigen_nonsymmv_workspace *T = gsl_eigen_nonsymmv_alloc(rows);
@@ -383 +400 @@
     gsl_eigen_nonsymmv_free(T);
 
-    // copy eigenvectors real-parts into content_square and display
+    // copy eigenvectors real-parts into content_square and ...
+    // ... show complex-valued eigenvector matrix
     std::cout << "Resulting eigenvector matrix is [";
     for (size_t i=0; i<greaterDimension; i++) {