Changeset 42a101 for src/unittests

Timestamp:

May 28, 2010, 8:25:27 AM (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:

ccf826

Parents:

643e76

Message:

Removed RotateVector() function in favor of Line::rotateVector() method.

Line::rotateVector() is able to rotate any vector around any line in space.

Location:

src/unittests

Files:

• LineUnittest.cpp (modified) (1 diff)
• LineUnittest.hpp (modified) (2 diffs)
• vectorunittest.cpp (modified) (1 diff)
• vectorunittest.hpp (modified) (1 diff)

src/unittests/LineUnittest.cpp

@@ -221 +221 @@
   CPPUNIT_ASSERT_THROW(la3->getIntersection(*lp1),SkewException);
 }
+
+void LineUnittest::rotationTest(){
+  Vector fixture;
+
+  // rotate zero Vector along the axes lines by various degrees
+  fixture = la1->rotateVector(zeroVec,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = la2->rotateVector(zeroVec,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = la3->rotateVector(zeroVec,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+
+  fixture = la1->rotateVector(zeroVec,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = la2->rotateVector(zeroVec,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = la3->rotateVector(zeroVec,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+
+  // rotate vectors on the axis around their lines
+  fixture = la1->rotateVector(e1,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = la2->rotateVector(e2,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+  fixture = la3->rotateVector(e3,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  fixture = la1->rotateVector(e1,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = la2->rotateVector(e2,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+  fixture = la3->rotateVector(e3,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  // more vectors on the axis
+  fixture = la1->rotateVector(2*e1,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,2*e1);
+  fixture = la2->rotateVector(2*e2,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,2*e2);
+  fixture = la3->rotateVector(2*e3,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,2*e3);
+
+  fixture = la1->rotateVector(2*e1,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,2*e1);
+  fixture = la2->rotateVector(2*e2,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,2*e2);
+  fixture = la3->rotateVector(2*e3,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,2*e3);
+
+  // negative factors
+  fixture = la1->rotateVector(-1*e1,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e1);
+  fixture = la2->rotateVector(-1*e2,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e2);
+  fixture = la3->rotateVector(-1*e3,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e3);
+
+  fixture = la1->rotateVector(-1*e1,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e1);
+  fixture = la2->rotateVector(-1*e2,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e2);
+  fixture = la3->rotateVector(-1*e3,2.);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e3);
+
+
+
+  // now the real rotations
+  // e2 around e1
+  fixture = la1->rotateVector(e2,0);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+  fixture = la1->rotateVector(e2,1./2.*M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e3);
+  fixture = la1->rotateVector(e2,M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e2);
+  fixture = la1->rotateVector(e2,2*M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+
+  // e3 around e2
+  fixture = la2->rotateVector(e3,0);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+  fixture = la2->rotateVector(e3,1./2.*M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e1);
+  fixture = la2->rotateVector(e3,M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e3);
+  fixture = la2->rotateVector(e3,2*M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  // e1 around e3
+  fixture = la3->rotateVector(e1,0);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = la3->rotateVector(e1,1./2.*M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e2);
+  fixture = la3->rotateVector(e1,M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e1);
+  fixture = la3->rotateVector(e1,2*M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+
+
+  // and some rotation around the plane lines
+
+  // Vectors on the line
+  fixture = lp1->rotateVector(e1,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = lp1->rotateVector(e2,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+
+  fixture = lp2->rotateVector(e2,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+  fixture = lp2->rotateVector(e3,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  fixture = lp3->rotateVector(e3,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+  fixture = lp3->rotateVector(e1,1.);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+
+  // the real stuff
+  fixture = lp1->rotateVector(zeroVec,M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,Vector(1,1,0));
+  fixture = lp2->rotateVector(zeroVec,M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,Vector(0,1,1));
+  fixture = lp3->rotateVector(zeroVec,M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,Vector(1,0,1));
+
+  fixture = lp1->rotateVector(zeroVec,2*M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = lp2->rotateVector(zeroVec,2*M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = lp3->rotateVector(zeroVec,2*M_PI);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+}

src/unittests/LineUnittest.hpp

@@ -21 +21 @@
   CPPUNIT_TEST ( isContainedTest );
   CPPUNIT_TEST ( intersectionTest );
+  CPPUNIT_TEST ( rotationTest );
   CPPUNIT_TEST_SUITE_END();
 
@@ -31 +32 @@
   void isContainedTest();
   void intersectionTest();
+  void rotationTest();
 
 private:

src/unittests/vectorunittest.cpp

@@ -230 +230 @@
 };
 
-/** UnitTest for vector rotations.
- */
-void VectorTest::VectorRotationTest()
-{
-  fixture = Vector(-1.,0.,0.);
-
-  // zero vector does not change
-  fixture = RotateVector(zero,unit, 1.);
-  CPPUNIT_ASSERT_EQUAL( zero, fixture );
-
-  fixture = RotateVector(zero, two, 1.);
-  CPPUNIT_ASSERT_EQUAL( zero,  fixture);
-
-  // vector on axis does not change
-  fixture = RotateVector(unit,unit, 1.);
-  CPPUNIT_ASSERT_EQUAL( unit, fixture );
-
-  // rotations
-  fixture = RotateVector(otherunit, unit, M_PI);
-  CPPUNIT_ASSERT_EQUAL( Vector(0.,-1.,0.), fixture );
-
-  fixture = RotateVector(otherunit, unit, 2. * M_PI);
-  CPPUNIT_ASSERT_EQUAL( otherunit, fixture );
-
-  fixture = RotateVector(otherunit,unit, 0);
-  CPPUNIT_ASSERT_EQUAL( otherunit, fixture );
-
-  fixture = RotateVector(Vector(0.,0.,1.), notunit, M_PI);
-  CPPUNIT_ASSERT_EQUAL( otherunit, fixture );
-}
-
 /**
  * UnitTest for Vector::IsInParallelepiped().

src/unittests/vectorunittest.hpp

@@ -28 +28 @@
     CPPUNIT_TEST ( NormalsTest );
     CPPUNIT_TEST ( LineIntersectionTest );
-    CPPUNIT_TEST ( VectorRotationTest );
     CPPUNIT_TEST ( IsInParallelepipedTest );
     CPPUNIT_TEST_SUITE_END();