Changeset bbf1bd 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:
6e06bd, b4cf2b
Parents:
5ada94
git-author:
Frederik Heber <heber@…> (11/15/10 20:00:30)
git-committer:
Frederik Heber <heber@…> (12/04/10 23:54:32)
Message:

Extended VectorContent class.

  • VectorContent formerly has been just a structure to contain the gsl_vector due to forward declaration reasons.
  • now VectorContent is a true wrapper to gsl_vector, i.e. all functionality that is now specific to 3 dimensions has been shifted from GSLVector over to VectorContent.
  • VectorContentView is preserved to allow for VectorContent as a view on a row or column of a matrix.
  • changed and renamed unit test gslvectorunittest -> VectorContentUnitTest
  • GSLVector is not used anymore anywhere
  • one long-sough error was a missing assignment operator filled-in in a wrong manner by the compiler for VectorContent.

Note that:

  • gsl_vector is still used at many places
Location:
src/unittests
Files:
3 edited
2 moved

Legend:

Unmodified
Added
Removed

  • src/unittests/Makefile.am

    r5ada94 rbbf1bd  
    2222  CountBondsUnitTest \
    2323  FormulaUnittest \
    24   GSLVectorUnitTest \
    2524  InfoUnitTest \
    2625  LinearSystemOfEquationsUnitTest \
    … …  
    4645  Tesselation_BoundaryTriangleUnitTest \
    4746  Tesselation_InOutsideUnitTest \
     47  VectorContentUnitTest \
    4848  VectorUnitTest
    4949 
    … …  
    8282  CountBondsUnitTest.cpp \
    8383  FormulaUnittest.cpp \
    84   gslvectorunittest.cpp \
    8584  infounittest.cpp \
    8685  linearsystemofequationsunittest.cpp \
    … …  
    106105  tesselation_boundarytriangleunittest.cpp \
    107106  tesselation_insideoutsideunittest.cpp \
     107  VectorContentUnittest.cpp \
    108108  vectorunittest.cpp
    109109
    … …  
    122122  CountBondsUnitTest.hpp \
    123123  FormulaUnittest.hpp \
    124   gslvectorunittest.hpp \
    125124  infounittest.hpp \
    126125  linearsystemofequationsunittest.hpp \
    … …  
    145144  tesselation_boundarytriangleunittest.hpp \
    146145  tesselation_insideoutsideunittest.hpp \
     146  VectorContentUnittest.hpp \
    147147  vectorunittest.hpp
    148148 
    … …  
    193193MatrixContentUnitTest_LDADD = ${ALLLIBS}
    194194
    195 GSLVectorUnitTest_SOURCES = UnitTestMain.cpp gslvectorunittest.cpp gslvectorunittest.hpp
    196 GSLVectorUnitTest_LDADD = ${ALLLIBS}
    197 
    198195InfoUnitTest_SOURCES = UnitTestMain.cpp infounittest.cpp infounittest.hpp
    199196InfoUnitTest_LDADD = ${ALLLIBS}
    … …  
    262259TestRunner_LDADD = ${UILIBS} ${ALLLIBS}
    263260
     261VectorContentUnitTest_SOURCES = UnitTestMain.cpp VectorContentUnittest.cpp VectorContentUnittest.hpp
     262VectorContentUnitTest_LDADD = ${ALLLIBS}
     263
    264264VectorUnitTest_SOURCES = UnitTestMain.cpp vectorunittest.cpp vectorunittest.hpp
    265265VectorUnitTest_LDADD = ${ALLLIBS}

  • src/unittests/MatrixContentSymmetricUnittest.cpp

    r5ada94 rbbf1bd  
    230230  res.transpose();
    231231  CPPUNIT_ASSERT( *m == res );
     232  delete n;
    232233};
    233234

  • src/unittests/MatrixContentUnittest.cpp

    r5ada94 rbbf1bd  
    234234  MatrixContent res2 = ((const MatrixContent)res).transpose();
    235235  CPPUNIT_ASSERT( *m == res2 );
     236  delete n;
    236237};
    237238

  • src/unittests/VectorContentUnittest.cpp

    r5ada94 rbbf1bd  
    77
    88/*
    9  * gslvectorunittest.cpp
     9 * VectorContentUnittest.cpp
    1010 *
    1111 *  Created on: Jan 8, 2010
    … …  
    2424#include <cppunit/ui/text/TestRunner.h>
    2525
    26 #include "gslvectorunittest.hpp"
     26#include "VectorContentUnittest.hpp"
    2727
    2828#ifdef HAVE_TESTRUNNER
    … …  
    3333
    3434// Registers the fixture into the 'registry'
    35 CPPUNIT_TEST_SUITE_REGISTRATION( GSLVectorTest );
     35CPPUNIT_TEST_SUITE_REGISTRATION( VectorContentTest );
    3636
    3737
    38 void GSLVectorTest::setUp()
     38void VectorContentTest::setUp()
    3939{
    40   v = new GSLVector(3);
     40  v = new VectorContent(3);
    4141};
    4242
    43 void GSLVectorTest::tearDown()
     43void VectorContentTest::tearDown()
    4444{
    4545  delete(v);
    … …  
    4949 *
    5050 */
    51 void GSLVectorTest::AccessTest()
     51void VectorContentTest::AccessTest()
    5252{
    5353  // set
    5454  for (int i=0;i<3;i++)
    55     v->Set(i,i);
     55    v->at(i) = (double)i;
    5656
    5757  // and check
    5858  double *ptr = NULL;
    5959  for (int i=0;i<3;i++) {
    60     CPPUNIT_ASSERT_EQUAL( (double)i, v->Get(i) );
     60    CPPUNIT_ASSERT_EQUAL( (double)i, v->at(i) );
    6161    ptr = v->Pointer(i);
    6262    CPPUNIT_ASSERT_EQUAL( (double)i, *ptr );
    … …  
    6464
    6565  // out of bounds
    66   //CPPUNIT_ASSERT_EQUAL(0., v->Get(3) );
    67   //CPPUNIT_ASSERT_EQUAL(0., v->Get(-1) );
     66  //CPPUNIT_ASSERT_EQUAL(0., v->at(3) );
     67  //CPPUNIT_ASSERT_EQUAL(0., v->at(-1) );
    6868};
    6969
    … …  
    7272 *
    7373 */
    74 void GSLVectorTest::InitializaionTest()
     74void VectorContentTest::InitializaionTest()
    7575{
    7676  // set zero
    77   v->SetZero();
     77  v->setZero();
    7878  for (int i=0;i<3;i++)
    79     CPPUNIT_ASSERT_EQUAL( 0., v->Get(i) );
     79    CPPUNIT_ASSERT_EQUAL( 0., v->at(i) );
    8080
    8181  // set basis
    8282  for (int i=0;i<3;i++) {
    83     v->SetBasis(i);
     83    v->setBasis(i);
    8484    for (int j=0;j<3;j++)
    85       CPPUNIT_ASSERT_EQUAL( i == j ? 1. : 0. , v->Get(j) );
     85      CPPUNIT_ASSERT_EQUAL( i == j ? 1. : 0. , v->at(j) );
    8686  }
    8787
    8888  // set all
    89   v->SetAll(1.5);
     89  v->setValue(1.5);
    9090  for (int i=0;i<3;i++)
    91     CPPUNIT_ASSERT_EQUAL( 1.5, v->Get(i) );
     91    CPPUNIT_ASSERT_EQUAL( 1.5, v->at(i) );
    9292};
    9393
    … …  
    9595 *
    9696 */
    97 void GSLVectorTest::CopyTest()
     97void VectorContentTest::CopyTest()
    9898{
    9999  // set basis
    100   GSLVector *dest = NULL;
     100  VectorContent *dest = NULL;
    101101  for (int i=0;i<3;i++) {
    102     v->SetBasis(i);
    103     dest = new GSLVector(v);
     102    v->setBasis(i);
     103    dest = new VectorContent(v);
    104104    for (int j=0;j<3;j++)
    105       CPPUNIT_ASSERT_EQUAL( v->Get(j) , dest->Get(j) );
     105      CPPUNIT_ASSERT_EQUAL( v->at(j) , dest->at(j) );
    106106
    107107    delete(dest);
    … …  
    112112 *
    113113 */
    114 void GSLVectorTest::ExchangeTest()
     114void VectorContentTest::ExchangeTest()
    115115{
    116116  // set basis
    117117  for (int i=0;i<3;i++) {
    118     v->SetBasis(i);
     118    v->setBasis(i);
    119119    v->SwapElements((i)%3,(i+1)%3);
    120120    for (int j=0;j<3;j++)
    121       CPPUNIT_ASSERT_EQUAL( (i+1)%3 == j ? 1. : 0. , v->Get(j) );
     121      CPPUNIT_ASSERT_EQUAL( (i+1)%3 == j ? 1. : 0. , v->at(j) );
    122122  }
    123123
    124124  // set to 1,2,3 and reverse
    125125  for (int i=0;i<3;i++)
    126     v->Set(i,i+1);
     126    v->at(i) = (double)(i+1);
    127127  v->Reverse();
    128128  for (int j=0;j<3;j++)
    129     CPPUNIT_ASSERT_EQUAL( (double)(3-j), v->Get(j) );
     129    CPPUNIT_ASSERT_EQUAL( (double)(3-j), v->at(j) );
    130130};
    131131
    132132/** UnitTest for operators.
    133133 */
    134 void GSLVectorTest::OperatorIsTest()
     134void VectorContentTest::OperatorIsTest()
    135135{
    136   GSLVector zero(3);
    137   GSLVector unit(3);
    138   zero.SetZero();
    139   unit.SetZero();
    140   unit.Set(1,1.);
     136  VectorContent zero(3);
     137  VectorContent unit(3);
     138  zero.setZero();
     139  unit.setZero();
     140  unit[1] = 1.;
    141141  // summation and scaling
    142142  CPPUNIT_ASSERT_EQUAL( true, unit.IsOne() );
    … …  
    148148/** UnitTest for operators.
    149149 */
    150 void GSLVectorTest::OperatorAlgebraTest()
     150void VectorContentTest::OperatorAlgebraTest()
    151151{
    152   GSLVector zero(3);
    153   GSLVector unit(3);
    154   zero.SetZero();
    155   unit.SetZero();
    156   unit.Set(1,1.);
     152  VectorContent zero(3);
     153  VectorContent unit(3);
     154  zero.setZero();
     155  unit.setZero();
     156  unit[1] = 1.;
    157157  // summation and scaling
    158158  CPPUNIT_ASSERT_EQUAL( true, (zero+unit).IsOne() );

  • src/unittests/VectorContentUnittest.hpp

    r5ada94 rbbf1bd  
    11/*
    2  * gslvectorunittest.hpp
     2 * VectorContentUnittest.hpp
    33 *
    44 *  Created on: Jan 8, 2010
    … …  
    66 */
    77
    8 #ifndef GSLVECTORUNITTEST_HPP_
    9 #define GSLVECTORUNITTEST_HPP_
     8#ifndef VECTORCONTENTUNITTEST_HPP_
     9#define VECTORCONTENTUNITTEST_HPP_
    1010
    1111#include <cppunit/extensions/HelperMacros.h>
    1212
    13 #include "LinearAlgebra/gslvector.hpp"
     13#include "LinearAlgebra/VectorContent.hpp"
    1414
    1515/********************************************** Test classes **************************************/
    1616
    17 class GSLVectorTest : public CppUnit::TestFixture
     17class VectorContentTest : public CppUnit::TestFixture
    1818{
    19     CPPUNIT_TEST_SUITE( GSLVectorTest) ;
     19    CPPUNIT_TEST_SUITE( VectorContentTest) ;
    2020    CPPUNIT_TEST (AccessTest );
    2121    CPPUNIT_TEST (InitializaionTest );
    … …  
    3939private:
    4040
    41     GSLVector *v;
     41    VectorContent *v;
    4242};
    4343
    4444
    45 #endif /* GSLVECTORUNITTEST_HPP_ */
     45#endif /* VECTORCONTENTUNITTEST_HPP_ */
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