Changeset 76c0d6 for src/unittests

Timestamp:

Jun 4, 2010, 9:28:46 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:

2c8934

Parents:

e05826 (diff), 27ac00 (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 'StructureRefactoring' into stable

Conflicts:

molecuilder/src/Makefile.am
molecuilder/src/periodentafel.cpp

Location:

src/unittests

Files:

• LineUnittest.cpp (added)
• LineUnittest.hpp (added)
• Makefile.am (modified) (4 diffs)
• PlaneUnittest.cpp (modified) (2 diffs)
• PlaneUnittest.hpp (modified) (2 diffs)
• vectorunittest.cpp (modified) (1 diff)
• vectorunittest.hpp (modified) (1 diff)

src/unittests/Makefile.am

@@ -26 +26 @@
   InfoUnitTest \
   LinearSystemOfEquationsUnitTest \
+  LineUnittest \
   LinkedCellUnitTest \
   ListOfBondsUnitTest \
@@ -69 +70 @@
   infounittest.cpp \
   linearsystemofequationsunittest.cpp \
+  LineUnittest.cpp \
   LinkedCellUnitTest.cpp \
   listofbondsunittest.cpp \
@@ -104 +106 @@
   infounittest.hpp \
   linearsystemofequationsunittest.hpp \
+  LineUnittest.hpp \
   LinkedCellUnitTest.hpp \
   listofbondsunittest.hpp \
@@ -170 +173 @@
 LinearSystemOfEquationsUnitTest_LDADD = ${ALLLIBS}
 
+LineUnittest_SOURCES = UnitTestMain.cpp LineUnittest.cpp LineUnittest.hpp
+LineUnittest_LDADD = ${ALLLIBS}
+
 LinkedCellUnitTest_SOURCES = UnitTestMain.cpp LinkedCellUnitTest.cpp LinkedCellUnitTest.hpp 
 LinkedCellUnitTest_LDADD = ${ALLLIBS}

src/unittests/PlaneUnittest.cpp

@@ -17 +17 @@
 
 #include "vector.hpp"
+#include "Line.hpp"
 
 CPPUNIT_TEST_SUITE_REGISTRATION( PlaneUnittest );
@@ -153 +154 @@
   CPPUNIT_ASSERT(fabs(p4->distance(e1)-1) < MYEPSILON);
   CPPUNIT_ASSERT_EQUAL(zeroVec,p4->getClosestPoint(e1));
-
-
-}
+}
+
+void PlaneUnittest::mirrorTest(){
+  Vector fixture;
+
+  // some Vectors that lie on the planes
+  fixture = p1->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = p1->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+  fixture = p1->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  fixture = p2->mirrorVector(zeroVec);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = p2->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = p2->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+
+  fixture = p3->mirrorVector(zeroVec);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = p3->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = p3->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  fixture = p4->mirrorVector(zeroVec);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = p4->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+  fixture = p4->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  // some Vectors outside of the planes
+  {
+    Vector t = (2./3.)*(e1+e2+e3);
+    fixture = p1->mirrorVector(zeroVec);
+    CPPUNIT_ASSERT_EQUAL(fixture,t);
+  }
+
+  fixture = p2->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e3);
+  fixture = p3->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e2);
+  fixture = p4->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e1);
+}
+
+void PlaneUnittest::LineIntersectionTest(){
+  Vector fixture;
+  // plane at (0,0,0) normal to (1,0,0) cuts line from (0,0,0) to (2,1,0) at ???
+  Line l1 = makeLineThrough(zeroVec,Vector(2,1,0));
+  CPPUNIT_ASSERT_NO_THROW(fixture = Plane(e1, zeroVec).GetIntersection(l1) );
+  CPPUNIT_ASSERT_EQUAL( zeroVec, fixture );
+
+  // plane at (2,1,0) normal to (0,1,0) cuts line from (1,0,0) to (0,1,1) at ???
+  Line l2 = makeLineThrough(e1,Vector(0,1,1));
+  CPPUNIT_ASSERT_NO_THROW(fixture = Plane(e2, Vector(2,1,0)).GetIntersection(l2) );
+  CPPUNIT_ASSERT_EQUAL( Vector(0., 1., 1.), fixture );
+}

src/unittests/PlaneUnittest.hpp

@@ -20 +20 @@
   CPPUNIT_TEST ( pointsTest );
   CPPUNIT_TEST ( operationsTest );
+  CPPUNIT_TEST ( mirrorTest );
+  CPPUNIT_TEST ( LineIntersectionTest );
   CPPUNIT_TEST_SUITE_END();
 
@@ -30 +32 @@
   void pointsTest();
   void operationsTest();
+  void mirrorTest();
+  void LineIntersectionTest();
 
 private:

src/unittests/vectorunittest.cpp

@@ -215 +215 @@
 }
 
-/** UnitTest for line intersections.
- */
-void VectorTest::LineIntersectionTest()
-{
-  // plane at (0,0,0) normal to (1,0,0) cuts line from (0,0,0) to (2,1,0) at ???
-  CPPUNIT_ASSERT_NO_THROW(fixture = Plane(unit, zero).GetIntersection(zero, two) );
-  CPPUNIT_ASSERT_EQUAL( zero, fixture );
-
-  // plane at (2,1,0) normal to (0,1,0) cuts line from (1,0,0) to (0,1,1) at ???
-  CPPUNIT_ASSERT_NO_THROW(fixture = Plane(otherunit, two).GetIntersection( unit, notunit) );
-  CPPUNIT_ASSERT_EQUAL( Vector(0., 1., 1.), fixture );
-
-  // four vectors equal to zero
-  CPPUNIT_ASSERT_THROW(fixture = GetIntersectionOfTwoLinesOnPlane(zero, zero, zero, zero), LinearDependenceException);
-  //CPPUNIT_ASSERT_EQUAL( zero, fixture );
-
-  // four vectors equal to unit
-  CPPUNIT_ASSERT_THROW(fixture = GetIntersectionOfTwoLinesOnPlane(unit, unit, unit, unit), LinearDependenceException);
-  //CPPUNIT_ASSERT_EQUAL( zero, fixture );
-
-  // two equal lines
-  CPPUNIT_ASSERT_NO_THROW(fixture = GetIntersectionOfTwoLinesOnPlane(unit, two, unit, two));
-  CPPUNIT_ASSERT_EQUAL( unit, fixture );
-
-  // line from (1,0,0) to (2,1,0) cuts line from (1,0,0) to (0,1,0) at ???
-  CPPUNIT_ASSERT_NO_THROW( fixture = GetIntersectionOfTwoLinesOnPlane(unit, two, unit, otherunit) );
-  CPPUNIT_ASSERT_EQUAL( unit, fixture );
-
-  // line from (1,0,0) to (0,0,0) cuts line from (0,0,0) to (2,1,0) at ???
-  CPPUNIT_ASSERT_NO_THROW( fixture = GetIntersectionOfTwoLinesOnPlane(unit, zero, zero, two) );
-  CPPUNIT_ASSERT_EQUAL( zero, fixture );
-
-  // line from (1,0,0) to (2,1,0) cuts line from (0,0,0) to (0,1,0) at ???
-  CPPUNIT_ASSERT_NO_THROW(fixture = GetIntersectionOfTwoLinesOnPlane(unit, two, zero, otherunit) );
-  CPPUNIT_ASSERT_EQUAL( Vector(0., -1., 0.), fixture );
-};
-
-/** 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 );
-}
 
 /**

src/unittests/vectorunittest.hpp

@@ -27 +27 @@
     CPPUNIT_TEST ( ProjectionTest );
     CPPUNIT_TEST ( NormalsTest );
-    CPPUNIT_TEST ( LineIntersectionTest );
-    CPPUNIT_TEST ( VectorRotationTest );
     CPPUNIT_TEST ( IsInParallelepipedTest );
     CPPUNIT_TEST_SUITE_END();