Changeset 273382 for src/unittests/vectorunittest.cpp

Timestamp:

Apr 13, 2010, 1:22:42 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

1bd79e

Parents:

72e7fa

Message:

Prepared interface of Vector Class for transition to VectorComposites

File:

• src/unittests/vectorunittest.cpp (modified) (5 diffs)

src/unittests/vectorunittest.cpp

@@ -72 +72 @@
   CPPUNIT_ASSERT_EQUAL( Vector(2.,3.,4.), fixture );
   // summation and scaling
-  fixture.CopyVector(&zero);
-  fixture.AddVector(&unit);
-  CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
-  fixture.CopyVector(&zero);
-  fixture.SubtractVector(&unit);
+  fixture = zero + unit;
+  CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
+  fixture = zero - unit;
   CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
   CPPUNIT_ASSERT_EQUAL( false, fixture.IsZero() );
-  fixture.CopyVector(&zero);
-  fixture.AddVector(&zero);
+  fixture = zero + zero;
   CPPUNIT_ASSERT_EQUAL( true, fixture.IsZero() );
-  fixture.CopyVector(&notunit);
-  fixture.SubtractVector(&otherunit);
-  CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
-  fixture.CopyVector(&unit);
-  fixture.AddVector(&otherunit);
+  fixture = notunit - otherunit;
+  CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
+  fixture = unit - otherunit;
   CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
-  fixture.CopyVector(&notunit);
-  fixture.SubtractVector(&unit);
-  fixture.SubtractVector(&otherunit);
+  fixture = notunit - unit - otherunit;
   CPPUNIT_ASSERT_EQUAL( false, fixture.IsZero() );
-  fixture.CopyVector(&unit);
-  fixture.Scale(0.98);
+  fixture = 0.98 * unit;
   CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
-  fixture.CopyVector(&unit);
-  fixture.Scale(1.);
-  CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
-  fixture.CopyVector(&unit);
+  fixture = 1. * unit;
+  CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
   factor = 0.98;
-  fixture.Scale(factor);
+  fixture = factor * unit;
   CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
-  fixture.CopyVector(&unit);
   factor = 1.;
-  fixture.Scale(factor);
+  fixture = factor * unit;
   CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
 };
@@ -134 +123 @@
 void VectorTest::EuclidianScalarProductTest()
 {
-  CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(&zero) );
-  CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(&unit) );
-  CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(&otherunit) );
-  CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(&notunit) );
-  CPPUNIT_ASSERT_EQUAL( 1., unit.ScalarProduct(&unit) );
-  CPPUNIT_ASSERT_EQUAL( 0., otherunit.ScalarProduct(&unit) );
-  CPPUNIT_ASSERT_EQUAL( 0., otherunit.ScalarProduct(&unit) );
-  CPPUNIT_ASSERT_EQUAL( 1., otherunit.ScalarProduct(&notunit) );
-  CPPUNIT_ASSERT_EQUAL( 2., two.ScalarProduct(&unit) );
-  CPPUNIT_ASSERT_EQUAL( 1., two.ScalarProduct(&otherunit) );
-  CPPUNIT_ASSERT_EQUAL( 1., two.ScalarProduct(&notunit) );
+  CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(zero) );
+  CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(unit) );
+  CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(otherunit) );
+  CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(notunit) );
+  CPPUNIT_ASSERT_EQUAL( 1., unit.ScalarProduct(unit) );
+  CPPUNIT_ASSERT_EQUAL( 0., otherunit.ScalarProduct(unit) );
+  CPPUNIT_ASSERT_EQUAL( 0., otherunit.ScalarProduct(unit) );
+  CPPUNIT_ASSERT_EQUAL( 1., otherunit.ScalarProduct(notunit) );
+  CPPUNIT_ASSERT_EQUAL( 2., two.ScalarProduct(unit) );
+  CPPUNIT_ASSERT_EQUAL( 1., two.ScalarProduct(otherunit) );
+  CPPUNIT_ASSERT_EQUAL( 1., two.ScalarProduct(notunit) );
 }
 
@@ -165 +154 @@
 void VectorTest::EuclidianDistancesTest()
 {
-  CPPUNIT_ASSERT_EQUAL( 1., zero.Distance(&unit) );
-  CPPUNIT_ASSERT_EQUAL( sqrt(2.), otherunit.Distance(&unit) );
-  CPPUNIT_ASSERT_EQUAL( sqrt(2.), zero.Distance(&notunit) );
-  CPPUNIT_ASSERT_EQUAL( 1., otherunit.Distance(&notunit) );
-  CPPUNIT_ASSERT_EQUAL( sqrt(5.), two.Distance(&notunit) );
+  CPPUNIT_ASSERT_EQUAL( 1., zero.Distance(unit) );
+  CPPUNIT_ASSERT_EQUAL( sqrt(2.), otherunit.Distance(unit) );
+  CPPUNIT_ASSERT_EQUAL( sqrt(2.), zero.Distance(notunit) );
+  CPPUNIT_ASSERT_EQUAL( 1., otherunit.Distance(notunit) );
+  CPPUNIT_ASSERT_EQUAL( sqrt(5.), two.Distance(notunit) );
 }
 
@@ -176 +165 @@
 void VectorTest::EuclidianAnglesTest()
 {
-  CPPUNIT_ASSERT_EQUAL( M_PI, zero.Angle(&unit) );
-  CPPUNIT_ASSERT_EQUAL( 0., unit.Angle(&unit) );
-  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - otherunit.Angle(&unit)) < MYEPSILON );
-  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - unit.Angle(&notunit)) < MYEPSILON );
-  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/4. - otherunit.Angle(&notunit)) < MYEPSILON );
+  CPPUNIT_ASSERT_EQUAL( M_PI, zero.Angle(unit) );
+  CPPUNIT_ASSERT_EQUAL( 0., unit.Angle(unit) );
+  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - otherunit.Angle(unit)) < MYEPSILON );
+  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - unit.Angle(notunit)) < MYEPSILON );
+  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/4. - otherunit.Angle(notunit)) < MYEPSILON );
 };
 
@@ -187 +176 @@
 void VectorTest::ProjectionTest()
 {
-  CPPUNIT_ASSERT_EQUAL( zero, zero.Projection(&unit) );
-  CPPUNIT_ASSERT_EQUAL( zero, otherunit.Projection(&unit) );
-  CPPUNIT_ASSERT_EQUAL( Vector(0.4,0.2,0.),  otherunit.Projection(&two) );
-  CPPUNIT_ASSERT_EQUAL( Vector(0.,1.,0.),  two.Projection(&otherunit) );
+  CPPUNIT_ASSERT_EQUAL( zero, zero.Projection(unit) );
+  CPPUNIT_ASSERT_EQUAL( zero, otherunit.Projection(unit) );
+  CPPUNIT_ASSERT_EQUAL( Vector(0.4,0.2,0.),  otherunit.Projection(two) );
+  CPPUNIT_ASSERT_EQUAL( Vector(0.,1.,0.),  two.Projection(otherunit) );
 };