Changeset cca9ef for src/unittests


Ignore:
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:
0d4424
Parents:
3bc926
git-author:
Frederik Heber <heber@…> (11/15/10 12:58:27)
git-committer:
Frederik Heber <heber@…> (12/04/10 23:54:32)
Message:

Renamed Matrix to RealSpaceMatrix.

  • class Matrix only represents 3x3 matrices, whereas we are now going to extend the class MatrixContent to contain arbritrary dimensions.
  • renamed class and file
Location:
src/unittests
Files:
5 edited

Legend:

Unmodified
Added
Removed

  • src/unittests/BoxUnittest.cpp

    r3bc926 rcca9ef  
    2929
    3030#include "LinearAlgebra/Vector.hpp"
    31 #include "LinearAlgebra/Matrix.hpp"
     31#include "LinearAlgebra/RealSpaceMatrix.hpp"
    3232#include "Box.hpp"
    3333#include "Helpers/Assert.hpp"
    … …  
    4040void BoxUnittest::setUp(){
    4141  ASSERT_DO(Assert::Throw);
    42   unit = new Matrix;
     42  unit = new RealSpaceMatrix;
    4343  unit->setIdentity();
    44   zero = new Matrix;
    45   invertible = new Matrix;
     44  zero = new RealSpaceMatrix;
     45  invertible = new RealSpaceMatrix;
    4646  invertible->diagonal() = Vector(1,2,3);
    47   uninvertible = new Matrix;
     47  uninvertible = new RealSpaceMatrix;
    4848  uninvertible->column(0) = Vector(1,0,1);
    4949  uninvertible->column(2) = Vector(1,0,1);
    5050
    51   Matrix boxMat;
     51  RealSpaceMatrix boxMat;
    5252  unitBox = new Box;
    5353  stretchedBox1 = new Box;

  • src/unittests/BoxUnittest.hpp

    r3bc926 rcca9ef  
    1111#include <cppunit/extensions/HelperMacros.h>
    1212
    13 class Matrix;
     13class RealSpaceMatrix;
    1414class Box;
    1515
    … …  
    3838  void BoundaryMixedTest();
    3939
    40   Matrix *unit;
    41   Matrix *zero;
    42   Matrix *invertible;
    43   Matrix *uninvertible;
     40  RealSpaceMatrix *unit;
     41  RealSpaceMatrix *zero;
     42  RealSpaceMatrix *invertible;
     43  RealSpaceMatrix *uninvertible;
    4444
    4545  Box *unitBox;

  • src/unittests/MatrixUnittest.cpp

    r3bc926 rcca9ef  
    2626#include "MatrixUnittest.hpp"
    2727#include "LinearAlgebra/Vector.hpp"
    28 #include "LinearAlgebra/Matrix.hpp"
     28#include "LinearAlgebra/RealSpaceMatrix.hpp"
    2929#include "Exceptions/NotInvertibleException.hpp"
    3030
    … …  
    3737
    3838void MatrixUnittest::setUp(){
    39   zero = new Matrix();
     39  zero = new RealSpaceMatrix();
    4040  for(int i =NDIM;i--;) {
    4141    for(int j =NDIM;j--;) {
    … …  
    4343    }
    4444  }
    45   one = new Matrix();
     45  one = new RealSpaceMatrix();
    4646  for(int i =NDIM;i--;){
    4747    one->at(i,i)=1.;
    4848  }
    49   full=new Matrix();
     49  full=new RealSpaceMatrix();
    5050  for(int i=NDIM;i--;){
    5151    for(int j=NDIM;j--;){
    … …  
    5353    }
    5454  }
    55   diagonal = new Matrix();
     55  diagonal = new RealSpaceMatrix();
    5656  for(int i=NDIM;i--;){
    5757    diagonal->at(i,i)=i+1.;
    5858  }
    59   perm1 = new Matrix();
     59  perm1 = new RealSpaceMatrix();
    6060  perm1->column(0) = unitVec[0];
    6161  perm1->column(1) = unitVec[2];
    … …  
    6363
    6464
    65   perm2 = new Matrix();
     65  perm2 = new RealSpaceMatrix();
    6666  perm2->column(0) = unitVec[1];
    6767  perm2->column(1) = unitVec[0];
    6868  perm2->column(2) = unitVec[2];
    6969
    70   perm3 = new Matrix();
     70  perm3 = new RealSpaceMatrix();
    7171  perm3->column(0) = unitVec[1];
    7272  perm3->column(1) = unitVec[2];
    7373  perm3->column(2) = unitVec[0];
    7474
    75   perm4 = new Matrix();
     75  perm4 = new RealSpaceMatrix();
    7676  perm4->column(0) = unitVec[2];
    7777  perm4->column(1) = unitVec[1];
    7878  perm4->column(2) = unitVec[0];
    7979
    80   perm5 = new Matrix();
     80  perm5 = new RealSpaceMatrix();
    8181  perm5->column(0) = unitVec[2];
    8282  perm5->column(1) = unitVec[0];
    … …  
    9797
    9898void MatrixUnittest::AccessTest(){
    99   Matrix mat;
     99  RealSpaceMatrix mat;
    100100  for(int i=NDIM;i--;){
    101101    for(int j=NDIM;j--;){
    … …  
    119119
    120120void MatrixUnittest::VectorTest(){
    121   Matrix mat;
     121  RealSpaceMatrix mat;
    122122  for(int i=NDIM;i--;){
    123123    CPPUNIT_ASSERT_EQUAL(mat.row(i),zeroVec);
    … …  
    173173
    174174void MatrixUnittest::TransposeTest(){
    175   Matrix res;
     175  RealSpaceMatrix res;
    176176
    177177  // transpose of unit is unit
    … …  
    187187
    188188void MatrixUnittest::OperationTest(){
    189   Matrix res;
     189  RealSpaceMatrix res;
    190190
    191191  res =(*zero) *(*zero);
    … …  
    260260
    261261void MatrixUnittest::RotationTest(){
    262   Matrix res;
    263   Matrix inverse;
     262  RealSpaceMatrix res;
     263  RealSpaceMatrix inverse;
    264264
    265265  // zero rotation angles yields unity matrix
    … …  
    278278  // ... or transposed
    279279  res.setRotation(M_PI/3.,0.,0.);
    280   CPPUNIT_ASSERT_EQUAL(inverse, ((const Matrix) res).transpose());
     280  CPPUNIT_ASSERT_EQUAL(inverse, ((const RealSpaceMatrix) res).transpose());
    281281}
    282282
    … …  
    285285  CPPUNIT_ASSERT_THROW(full->invert(),NotInvertibleException);
    286286
    287   Matrix res;
     287  RealSpaceMatrix res;
    288288  res = (*one)*one->invert();
    289289  CPPUNIT_ASSERT_EQUAL(res,*one);

  • src/unittests/MatrixUnittest.hpp

    r3bc926 rcca9ef  
    1111#include <cppunit/extensions/HelperMacros.h>
    1212
    13 class Matrix;
     13class RealSpaceMatrix;
    1414
    1515class MatrixUnittest : public CppUnit::TestFixture
    … …  
    3939  void VecMultTest();
    4040
    41   Matrix *zero;
    42   Matrix *one;
    43   Matrix *full;
    44   Matrix *diagonal;
    45   Matrix *perm1;
    46   Matrix *perm2;
    47   Matrix *perm3;
    48   Matrix *perm4;
    49   Matrix *perm5;
     41  RealSpaceMatrix *zero;
     42  RealSpaceMatrix *one;
     43  RealSpaceMatrix *full;
     44  RealSpaceMatrix *diagonal;
     45  RealSpaceMatrix *perm1;
     46  RealSpaceMatrix *perm2;
     47  RealSpaceMatrix *perm3;
     48  RealSpaceMatrix *perm4;
     49  RealSpaceMatrix *perm5;
    5050};
    5151

  • src/unittests/vectorunittest.cpp

    r3bc926 rcca9ef  
    3131#include "LinearAlgebra/Plane.hpp"
    3232#include "Exceptions/LinearDependenceException.hpp"
    33 #include "LinearAlgebra/Matrix.hpp"
     33#include "LinearAlgebra/RealSpaceMatrix.hpp"
    3434
    3535#ifdef HAVE_TESTRUNNER
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