Changeset 03a713

Timestamp:

Mar 28, 2012, 1:23:33 PM (13 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:

70a0ba

Parents:

471dec

git-author:

Frederik Heber <heber@…> (03/15/12 13:49:06)

git-committer:

Frederik Heber <heber@…> (03/28/12 13:23:33)

Message:

BUG: Added failing test case to Tesselation_BoundaryTriangleUnitTest.

• test case is from larger filling example.

Location:

src/Tesselation/unittests

Files:

• Makefile.am (modified) (1 diff)
• Tesselation_BoundaryTriangleUnitTest.cpp (modified) (2 diffs)

src/Tesselation/unittests/Makefile.am

@@ -14 +14 @@
 TESSELATIONTESTS = \
   TesselationUnitTest \
-  Tesselation_BoundaryTriangleUnitTest \
   Tesselation_InOutsideUnitTest
+
+XFAIL_TESTS += Tesselation_BoundaryTriangleUnitTest
 
 TESTS += $(TESSELATIONTESTS)

src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.cpp

@@ -185 +185 @@
 void TesselationBoundaryTriangleTest::IsInsideTriangle_specificTest()
 {
-  delete triangle;
-  {
+  {
+    delete triangle;
     // test is from --create-micelle 200 --radius 30. --position "0,0,0" of sles.data
     // failure is: Intersection (23.1644,24.1867,65.1272) is not inside triangle [659|Na2451,O3652,Na3762].
@@ -198 +198 @@
     CPPUNIT_ASSERT( triangle->IsInsideTriangle( testIntersection ) );
   }
+  {
+    delete triangle;
+    // test is from --create-micelle 200 --radius 30. --position "0,0,0" of sles.data
+    // failure is: Intersection (20.6787,70.655,71.5657) is not inside triangle [622|Na1197,Na2166,O3366].
+    // fix is lower LINALG_MYEPSILON (not std::numeric_limits<doubble>*100 but *1e-4)
+    const Vector testPoint(1.57318,14.185,61.2155);
+    const Vector testIntersection(20.67867516517798,70.65496977054023,71.56572984946152);
+    std::vector<Vector> vectors;
+    vectors.push_back( Vector(22.9592,68.7791,77.5907) );
+    vectors.push_back( Vector(18.4729,72.0386,68.08839999999999) );
+    vectors.push_back( Vector(20.3834,71.0154,70.1443) );
+    createTriangle(vectors);
+    CPPUNIT_ASSERT( triangle->IsInsideTriangle( testIntersection ) );
+  }
 }