Changeset 8f4df1 for src/unittests/vectorunittest.cpp

Timestamp:

Aug 7, 2010, 12:07:04 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:

2d292d

Parents:

8d6d31 (diff), d74077 (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 'AtomicPositionEncapsulation' into stable

Conflicts:

src/Actions/AtomAction/ChangeElementAction.cpp
src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp
src/Makefile.am
src/UIElements/TextUI/TextDialog.cpp
src/analysis_correlation.hpp
src/atom.cpp
src/atom_atominfo.hpp
src/bond.cpp
src/boundary.cpp
src/molecule_geometry.cpp
src/tesselation.cpp
src/tesselationhelpers.cpp
src/triangleintersectionlist.cpp
src/unittests/Makefile.am

• fixed #includes due to moves to Helpers and LinearAlgebra
• moved VectorInterface.* and vector_ops.* to LinearAlgebra
• no more direct access of atom::node, remapped to set/getPosition()
• no more direct access to atom::type, remapped to set/getType() (also in atom due to derivation and atominfo::AtomicElement is private not protected).

File:

• src/unittests/vectorunittest.cpp (modified) (2 diffs)

src/unittests/vectorunittest.cpp

@@ -16 +16 @@
 #include "Helpers/Log.hpp"
 #include "LinearAlgebra/Vector.hpp"
-#include "vector_ops.hpp"
+#include "LinearAlgebra/vector_ops.hpp"
 #include "vectorunittest.hpp"
 #include "LinearAlgebra/Plane.hpp"
@@ -52 +52 @@
   errorLogger::purgeInstance();
 };
+
+/** UnitTest for Constructors and Vector::IsZero() and Vector::IsOne().
+ */
+void VectorTest::AssignmentTest()
+{
+  // test with zero
+  zero.at(0) = 0;
+  zero.at(1) = 0;
+  zero.at(2) = 0;
+  double zero_array[3] = {0., 0., 0.};
+
+  CPPUNIT_ASSERT_EQUAL( zero, Vector(0,0,0));
+  CPPUNIT_ASSERT_EQUAL( zero, Vector(0.,0.,0.));
+  CPPUNIT_ASSERT_EQUAL( zero, Vector(zero_array[0], zero_array[1], zero_array[2]));
+  CPPUNIT_ASSERT_EQUAL( zero, Vector(zero_array));
+
+  // test with unit
+  unit.at(0) = 1;
+  unit.at(1) = 0;
+  unit.at(2) = 0;
+  double unit_array[3] = {1., 0., 0.};
+
+  CPPUNIT_ASSERT_EQUAL( unit, Vector(1,0,0));
+  CPPUNIT_ASSERT_EQUAL( unit, Vector(1.,0.,0.));
+  CPPUNIT_ASSERT_EQUAL( unit, Vector(unit_array[0], unit_array[1], unit_array[2]));
+  CPPUNIT_ASSERT_EQUAL( unit, Vector(unit_array));
+
+  // test with two
+  two.at(0) = 2;
+  two.at(1) = 1;
+  two.at(2) = 0;
+  double two_array[3] = {2., 1., 0.};
+
+  CPPUNIT_ASSERT_EQUAL( two, Vector(2,1,0));
+  CPPUNIT_ASSERT_EQUAL( two, Vector(2.,1.,0.));
+  CPPUNIT_ASSERT_EQUAL( two, Vector(two_array[0], two_array[1], two_array[2]));
+  CPPUNIT_ASSERT_EQUAL( two, Vector(two_array));
+
+  // test with three
+  three.at(0) = 1;
+  three.at(1) = 2;
+  three.at(2) = 3;
+  double three_array[3] = {1., 2., 3.};
+
+  CPPUNIT_ASSERT_EQUAL( three, Vector(1,2,3));
+  CPPUNIT_ASSERT_EQUAL( three, Vector(1.,2.,3.));
+  CPPUNIT_ASSERT_EQUAL( three, Vector(three_array[0], three_array[1], three_array[2]));
+  CPPUNIT_ASSERT_EQUAL( three, Vector(three_array));
+}
 
 /** UnitTest for Constructors and Vector::IsZero() and Vector::IsOne().