source: src/LinearAlgebra/Eigenspace.hpp@ 9c5296

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
Last change on this file since 9c5296 was 9c5296, checked in by Frederik Heber <heber@…>, 14 years ago

New classes Eigenspace and Subspace that contain eigen(sub)spaces.

  • also added new test to SubspaceFactorizerUnitTest::Subspacetext().
    • so far only constructs the full and nested sub spaces.
  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * Eigenspace.hpp
3 *
4 * Created on: Nov 22, 2010
5 * Author: heber
6 */
7
8#ifndef EIGENSPACE_HPP_
9#define EIGENSPACE_HPP_
10
11#include <boost/shared_ptr.hpp>
12
13#include <iosfwd>
14#include <set>
15#include <vector>
16#include "MatrixContent.hpp"
17#include "VectorContent.hpp"
18
19/** Container for a matrix and its eigenvectors and -values.
20 *
21 * Note that a set of eigenvectors always forms a subspace within a vector
22 * space, the so-called eigenspace. Hence, the name of this class is
23 * eigenspace.
24 *
25 * Eigenvector are stored internally as a matrix. A returned set of
26 * eigenvectors is just a set of VectorViewContent on row vectors in
27 * this matrix.
28 */
29class Eigenspace
30{
31public:
32 typedef std::vector< boost::shared_ptr<VectorContent> > eigenvectorset;
33 typedef std::vector< double > eigenvalueset;
34 typedef std::set<size_t> indexset;
35
36 Eigenspace(const indexset &_Indices);
37 Eigenspace(const indexset &_Indices, const MatrixContent &_matrix);
38 virtual ~Eigenspace();
39
40 void calculateEigenSubspace();
41
42 // accessors
43 const MatrixContent & getEigenspaceMatrix() const;
44 const indexset & getIndices() const;
45 void setEigenspaceMatrix(const MatrixContent &_content);
46
47 bool contains(const Eigenspace &_indexset);
48
49protected:
50 const indexset Indices;
51 eigenvectorset Eigenvectors;
52 eigenvalueset Eigenvalues;
53 MatrixContent EigenspaceMatrix;
54 MatrixContent EigenvectorMatrix;
55
56private:
57 void createEigenvectorViews();
58
59};
60
61std::ostream & operator<<(std::ostream &ost, const Eigenspace &_s);
62
63#endif /* EIGENSPACE_HPP_ */
Note: See TracBrowser for help on using the repository browser.