Changeset 0d4424 for src/LinearAlgebra/MatrixContent.hpp

Timestamp:

Dec 4, 2010, 11:54:32 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, Candidate_v1.7.1, 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:

c134d9

Parents:

cca9ef

git-author:

Frederik Heber <heber@…> (11/15/10 14:02:38)

git-committer:

Frederik Heber <heber@…> (12/04/10 23:54:32)

Message:

Made gslmatrix obsolete.

• Transfered property and swap...() functions from GSLMatrix to MatrixContent.
• Line::getIntersection() uses now MatrixContent.
• made unit tests for gslmatrix into unit test for MatrixContent.

File:

• src/LinearAlgebra/MatrixContent.hpp (modified) (4 diffs)

src/LinearAlgebra/MatrixContent.hpp

@@ -41 +41 @@
   friend Vector operator*(const MatrixContent &mat,const Vector &vec);
   friend class RealSpaceMatrix;
+  friend class LinearSystemOfEquations;
+
+  friend class MatrixContentTest;
+  friend class MatrixContentSymmetricTest;
 public:
   MatrixContent(size_t rows, size_t columns);
@@ -53 +57 @@
   const double at(size_t i, size_t j) const;
   void set(size_t i, size_t j, const double value);
+  void setFromDoubleArray(double * x);
+
+  // Exchanging elements
+  bool SwapRows(size_t i, size_t j);
+  bool SwapColumns(size_t i, size_t j);
+  bool SwapRowColumn(size_t i, size_t j);
 
   // Transformations
@@ -59 +69 @@
   gsl_vector* transformToEigenbasis();
 
+  // Properties
+  bool IsNull() const;
+  bool IsPositive() const;
+  bool IsNegative() const;
+  bool IsNonNegative() const;
+  bool IsPositiveDefinite() const;
+  double Determinant() const;
+
   // Initializing
   void setIdentity();
   void setZero();
+  void setValue(double _value);
 
   // Operators
@@ -72 +91 @@
   bool operator==(const MatrixContent &rhs) const;
 
+protected:
+  double *Pointer(size_t m, size_t n);
+  const double *const_Pointer(size_t m, size_t n) const;
 
 private: