Changeset 6e06bd for src/LinearAlgebra/RealSpaceMatrix.hpp

Timestamp:

Dec 5, 2010, 12:19:19 AM (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:

f03705

Parents:

589112 (diff), bbf1bd (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'MatrixVectorContentRefactoring' into stable

File:

• src/LinearAlgebra/RealSpaceMatrix.hpp (moved) (moved from src/LinearAlgebra/Matrix.hpp ) (9 diffs)

src/LinearAlgebra/RealSpaceMatrix.hpp

@@ -1 +1 @@
 /*
- * Matrix.hpp
+ * RealSpaceMatrix.hpp
  *
  *  Created on: Jun 25, 2010
@@ -6 +6 @@
  */
 
-#ifndef MATRIX_HPP_
-#define MATRIX_HPP_
+#ifndef REALSPACEMATRIX_HPP_
+#define REALSPACEMATRIX_HPP_
 
 #include <iosfwd>
@@ -19 +19 @@
 class MatrixContent;
 
-class Matrix
+/** 3x3 Matrix class.
+ * This class has some specific features for 3D space such as rotations or
+ * hard-coded determinants.
+ */
+class RealSpaceMatrix
 {
-  friend Vector operator*(const Matrix&,const Vector&);
+  friend Vector operator*(const RealSpaceMatrix&,const Vector&);
 public:
-  Matrix();
+  RealSpaceMatrix();
 
   /**
@@ -41 +45 @@
    *
    */
-  Matrix(const double*);
-  Matrix(const Matrix&);
-  virtual ~Matrix();
+  RealSpaceMatrix(const double*);
+  RealSpaceMatrix(const RealSpaceMatrix&);
+  RealSpaceMatrix(const MatrixContent&);
+  virtual ~RealSpaceMatrix();
 
   /**
    * Set the matrix to a unit matrix.
    */
-  void one();
+  void setIdentity();
 
   /**
    * Set all matrix entries to zero.
    */
-  void zero();
+  void setZero();
 
   /**
@@ -60 +65 @@
    * with given angles.
    */
-  void rotation(const double x, const double y, const double z);
+  void setRotation(const double x, const double y, const double z);
 
   /**
@@ -106 +111 @@
    * Rather costly, so use precomputation as often as possible.
    */
-  Matrix invert() const;
+  RealSpaceMatrix invert() const;
 
   /**
@@ -119 +124 @@
    * Calculate the transpose of the matrix.
    */
-  Matrix transpose() const;
-  Matrix &transpose();
+  RealSpaceMatrix transpose() const;
+  RealSpaceMatrix &transpose();
 
   // operators
-  Matrix &operator=(const Matrix&);
+  RealSpaceMatrix &operator=(const RealSpaceMatrix&);
 
-  const Matrix &operator+=(const Matrix&);
-  const Matrix &operator-=(const Matrix&);
-  const Matrix &operator*=(const Matrix&);
+  const RealSpaceMatrix &operator+=(const RealSpaceMatrix&);
+  const RealSpaceMatrix &operator-=(const RealSpaceMatrix&);
+  const RealSpaceMatrix &operator*=(const RealSpaceMatrix&);
 
-  const Matrix &operator*=(const double);
+  const RealSpaceMatrix &operator*=(const double);
 
-  const Matrix operator+(const Matrix&) const;
-  const Matrix operator-(const Matrix&) const;
-  const Matrix operator*(const Matrix&) const;
+  const RealSpaceMatrix operator+(const RealSpaceMatrix&) const;
+  const RealSpaceMatrix operator-(const RealSpaceMatrix&) const;
+  const RealSpaceMatrix operator*(const RealSpaceMatrix&) const;
 
-  bool operator==(const Matrix&) const;
+  bool operator==(const RealSpaceMatrix&) const;
 
 private:
-  Matrix(MatrixContent*);
+  RealSpaceMatrix(MatrixContent*);
   void createViews();
   MatrixContent *content;
@@ -147 +152 @@
 };
 
-const Matrix operator*(const double,const Matrix&);
-const Matrix operator*(const Matrix&,const double);
+const RealSpaceMatrix operator*(const double,const RealSpaceMatrix&);
+const RealSpaceMatrix operator*(const RealSpaceMatrix&,const double);
 
 /**
@@ -164 +169 @@
  * 5 -> (2,2)
  */
-Matrix ReturnFullMatrixforSymmetric(const double * const cell_size);
+RealSpaceMatrix ReturnFullMatrixforSymmetric(const double * const cell_size);
 
-std::ostream &operator<<(std::ostream&,const Matrix&);
-Vector operator*(const Matrix&,const Vector&);
-Vector& operator*=(Vector&,const Matrix&);
+std::ostream &operator<<(std::ostream&,const RealSpaceMatrix&);
+Vector operator*(const RealSpaceMatrix&,const Vector&);
+Vector& operator*=(Vector&,const RealSpaceMatrix&);
 
-#endif /* MATRIX_HPP_ */
+#endif /* REALSPACEMATRIX_HPP_ */