Changeset 8e9ce1


Ignore:
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:
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.

Location:
src/LinearAlgebra
Files:
4 edited

Legend:

Unmodified
Added
Removed

  • src/LinearAlgebra/MatrixContent.cpp

    rb4cf2b r8e9ce1  
    4848}
    4949
     50/** Constructor of class VectorContent.
     51 * We need this MatrixBaseCase for the VectorContentView class.
     52 * There no content should be allocated, as it is just a view with an internal
     53 * gsl_vector_view. Hence, MatrixBaseCase is just dummy class to give the
     54 * constructor a unique signature.
     55 * \param MatrixBaseCase
     56 */
     57MatrixContent::MatrixContent(size_t _rows, size_t _columns, MatrixBaseCase) :
     58    rows(_rows),
     59    columns(_columns)
     60{}
     61
    5062/** Constructor for class MatrixContent.
    5163 * \param rows number of rows
    … …  
    5466 */
    5567MatrixContent::MatrixContent(size_t _rows, size_t _columns, const double *src) :
    56         rows(_rows),
    57         columns(_columns)
     68    rows(_rows),
     69    columns(_columns)
    5870{
    5971  content = gsl_matrix_calloc(rows, columns);
    … …  
    7789 */
    7890MatrixContent::MatrixContent(gsl_matrix *&src) :
    79         rows(src->size1),
    80         columns(src->size2)
     91    rows(src->size1),
     92    columns(src->size2)
    8193{
    8294  content = gsl_matrix_alloc(src->size1, src->size2);
    … …  
    90102 */
    91103MatrixContent::MatrixContent(const MatrixContent &src) :
    92         rows(src.rows),
    93         columns(src.columns)
     104    rows(src.rows),
     105    columns(src.columns)
    94106{
    95107  content = gsl_matrix_alloc(src.rows, src.columns);
    … …  
    101113 */
    102114MatrixContent::MatrixContent(const MatrixContent *src) :
    103         rows(src->rows),
    104         columns(src->columns)
     115    rows(src->rows),
     116    columns(src->columns)
    105117{
    106118  ASSERT(src != NULL, "MatrixContent::MatrixContent - pointer to source matrix is NULL!");
    … …  
    376388    }
    377389
     390    // show squared matrix
     391    MatrixContent *ContentSquare = new MatrixViewContent(gsl_matrix_submatrix(content,0,0,content->size1, content->size2));
     392    std::cout << "The squared matrix is " << *ContentSquare << std::endl;
     393    delete ContentSquare;
     394
    378395    // solve eigenvalue problem
    379396    gsl_eigen_nonsymmv_workspace *T = gsl_eigen_nonsymmv_alloc(rows);
    … …  
    383400    gsl_eigen_nonsymmv_free(T);
    384401
    385     // copy eigenvectors real-parts into content_square and display
     402    // copy eigenvectors real-parts into content_square and ...
     403    // ... show complex-valued eigenvector matrix
    386404    std::cout << "Resulting eigenvector matrix is [";
    387405    for (size_t i=0; i<greaterDimension; i++) {

  • src/LinearAlgebra/MatrixContent.hpp

    rb4cf2b r8e9ce1  
    3939class Vector;
    4040
     41/** Dummy structure to create a unique signature.
     42 *
     43 */
     44struct MatrixBaseCase{};
     45
    4146class MatrixContent
    4247{
    … …  
    5055public:
    5156  MatrixContent(size_t rows, size_t columns);
     57  MatrixContent(size_t _rows, size_t _columns, MatrixBaseCase);
    5258  MatrixContent(size_t rows, size_t columns, const double *src);
    5359  MatrixContent(gsl_matrix *&src);
    5460  MatrixContent(const MatrixContent &src);
    5561  MatrixContent(const MatrixContent *src);
    56   ~MatrixContent();
     62  virtual ~MatrixContent();
    5763
    5864  // Accessing
    … …  
    98104  const double *const_Pointer(size_t m, size_t n) const;
    99105
    100 private:
    101106  gsl_matrix * content;
    102107  const size_t rows;      // store for internal purposes
    103108  const size_t columns;  // store for internal purposes
     109
     110private:
    104111};
    105112
    … …  
    109116std::ostream & operator<<(std::ostream &ost, const MatrixContent &mat);
    110117
     118/** Matrix view.
     119 * Extension of MatrixContent to contain not a gsl_matrix but only a view on a
     120 * gsl_matrix
     121 *
     122 * We need the above MatrixBaseCase here:
     123 * content, i.e. the gsl_matrix, must not be allocated, as it is just a view
     124 * with an internal gsl_matrix_view. Hence, MatrixBaseCase is just dummy class
     125 * to give the constructor a unique signature.
     126 */
     127struct MatrixViewContent : public MatrixContent
     128{
     129  MatrixViewContent(gsl_matrix_view _view) :
     130    MatrixContent(_view.matrix.size1, _view.matrix.size2, MatrixBaseCase()),
     131    view(_view)
     132  {
     133    content = &view.matrix;
     134  }
     135  ~MatrixViewContent(){
     136    content=0;
     137  }
     138  gsl_matrix_view view;
     139};
     140
    111141#endif /* MATRIXCONTENT_HPP_ */

  • src/LinearAlgebra/VectorContent.cpp

    rb4cf2b r8e9ce1  
    3939
    4040/** Constructor of class VectorContent.
    41  * We need this BaseCase for the VectorContentView class.
     41 * We need this VectorBaseCase for the VectorContentView class.
    4242 * There no content should be allocated, as it is just a view with an internal
    43  * gsl_vector_view. Hence, BaseCase is just dummy class to give the constructor
    44  * a unique signature.
    45  * \param BaseCase
    46  */
    47 VectorContent::VectorContent(BaseCase)
     43 * gsl_vector_view. Hence, VectorBaseCase is just dummy class to give the
     44 * constructor a unique signature.
     45 * \param VectorBaseCase
     46 */
     47VectorContent::VectorContent(VectorBaseCase)
    4848{}
    4949

  • src/LinearAlgebra/VectorContent.hpp

    rb4cf2b r8e9ce1  
    2727 *
    2828 */
    29 struct BaseCase{};
     29struct VectorBaseCase{};
    3030
    3131class VectorContent{
    … …  
    3838public:
    3939  explicit VectorContent(size_t _dim);
    40   VectorContent(BaseCase);
     40  VectorContent(VectorBaseCase);
    4141  VectorContent(const VectorContent * const src);
    4242  VectorContent(const VectorContent & src);
    … …  
    9999 * gsl_vector (or row/column in a gsl_matrix).
    100100 *
    101  * We need the above BaseCase here:
     101 * We need the above VectorBaseCase here:
    102102 * content, i.e. the gsl_vector, must not be allocated, as it is just a view
    103  * with an internal gsl_vector_view. Hence, BaseCase is just dummy class to
    104  * give the constructor a unique signature.
     103 * with an internal gsl_vector_view. Hence, VectorBaseCase is just dummy class
     104 * to give the constructor a unique signature.
    105105 */
    106106struct VectorViewContent : public VectorContent
    107107{
    108108  VectorViewContent(gsl_vector_view _view) :
    109     VectorContent(BaseCase()),
     109    VectorContent(VectorBaseCase()),
    110110    view(_view)
    111111  {
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