Changeset 3bc926 for src/LinearAlgebra/gslmatrix.hpp

Timestamp:

Dec 4, 2010, 11:54:32 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:

cca9ef

Parents:

9eb7580

git-author:

Frederik Heber <heber@…> (11/15/10 12:36:18)

git-committer:

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

Message:

Extended MatrixContent class.

• MatrixContent formerly has been just a structure to contain the gsl_matrix due to forward declaration reasons.
• now MatrixContent is a true wrapper to gsl_matrix, i.e. all functionality that is now specific to 3 dimensions has been shifted from Matrix over to MatrixContent.

File:

• src/LinearAlgebra/gslmatrix.hpp (modified) (5 diffs)

src/LinearAlgebra/gslmatrix.hpp ¶

@@ -9 +9 @@
 #define GSLMATRIX_HPP_
 
-using namespace std;
-
 /*********************************************** includes ***********************************/
 
@@ -18 +16 @@
 #endif
 
+#include <iosfwd>
+
 #include <gsl/gsl_matrix.h>
+
 
 /****************************************** forward declarations *****************************/
@@ -28 +29 @@
 class GSLMatrix {
   friend class LinearSystemOfEquations;
+  friend std::ostream &operator<<(std::ostream &ost,const GSLMatrix &mat);
 
 public:
   GSLMatrix(size_t m, size_t n);
   GSLMatrix(const GSLMatrix * const src);
+  GSLMatrix(size_t m, size_t n, gsl_matrix *&src);
   ~GSLMatrix();
 
   // Accessing
   void SetFromDoubleArray(double * x);
-  double Get(size_t m, size_t n);
+  double Get(size_t m, size_t n) const;
   void Set(size_t m, size_t n, double x);
   double *Pointer(size_t m, size_t n);
-  const double *const_Pointer(size_t m, size_t n);
+  const double *const_Pointer(size_t m, size_t n) const;
+  size_t getRowCount() const;
+  size_t getColumnCount() const;
 
   // Initializing
@@ -50 +55 @@
   bool SwapColumns(size_t i, size_t j);
   bool SwapRowColumn(size_t i, size_t j);
+
+  // Properties
   bool Transpose();
-  bool IsNull();
-  bool IsPositive();
-  bool IsNegative();
-  bool IsNonNegative();
-  bool IsPositiveDefinite();
-  double Determinant();
+  bool IsNull() const;
+  bool IsPositive() const;
+  bool IsNegative() const;
+  bool IsNonNegative() const;
+  bool IsPositiveDefinite() const;
+  double Determinant() const;
 
-  GSLMatrix& operator=(const GSLMatrix& rhs);
+  // Operators
+  GSLMatrix &operator=(const GSLMatrix &src);
+  const GSLMatrix &operator+=(const GSLMatrix &rhs);
+  const GSLMatrix &operator-=(const GSLMatrix &rhs);
+  const GSLMatrix &operator*=(const GSLMatrix &rhs);
+  const GSLMatrix operator+(const GSLMatrix &rhs) const;
+  const GSLMatrix operator-(const GSLMatrix &rhs) const;
+  const GSLMatrix operator*(const GSLMatrix &rhs) const;
 
 private:
@@ -67 +81 @@
 };
 
+std::ostream &operator<<(std::ostream &ost,const GSLMatrix &mat);
 
 #endif /* GSLMATRIX_HPP_ */