Changeset c15ca2 for src/unittests

Timestamp:

Dec 29, 2009, 2:48:49 PM (15 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:

97498a

Parents:

71b20e

Message:

Changes to FindClosest...ToVector() and use of ..Map,..Set,..List defines in tesselation.cpp.

• Search and Replace for all occurences of defines ..Map,..Set,..List in tesselation.cpp to tighten code
• New function Tesselation::FindClosestBoundaryPointsToVector() - replace Find(Second)ClosestPoint()
• New functions Tesselation::FindClosestBoundaryLineToVector() and Tesselation::FindClosesttriangleToVector()
  • old functions FindClosestTriangleToPoint() and FindClosestTrianglesToPoint() start looking from BoundaryPoints only and thus might find a triangle being closer which we see from the wrong side
• added unit test TesselationInOutsideUnitTest - checks IsInnerPoint and containments
• adapated unit test TesselationUnitTest - checks tesselation only

Location:

src/unittests

Files:

• Makefile.am (modified) (2 diffs)
• tesselation_insideoutsideunittest.cpp (added)
• tesselation_insideoutsideunittest.hpp (added)
• tesselationunittest.cpp (modified) (4 diffs)
• tesselationunittest.hpp (modified) (2 diffs)

src/unittests/Makefile.am

@@ -4 +4 @@
 AM_CXXFLAGS = $(CPPUNIT_CFLAGS)
 
-TESTS = ActOnAllUnitTest AnalysisBondsUnitTests AnalysisCorrelationToPointUnitTest AnalysisCorrelationToSurfaceUnitTest AnalysisPairCorrelationUnitTest BondGraphUnitTest InfoUnitTest ListOfBondsUnitTest LogUnitTest MemoryUsageObserverUnitTest MemoryAllocatorUnitTest StackClassUnitTest VectorUnitTest
+TESTS = ActOnAllUnitTest AnalysisBondsUnitTests AnalysisCorrelationToPointUnitTest AnalysisCorrelationToSurfaceUnitTest AnalysisPairCorrelationUnitTest BondGraphUnitTest InfoUnitTest ListOfBondsUnitTest LogUnitTest MemoryUsageObserverUnitTest MemoryAllocatorUnitTest StackClassUnitTest TesselationUnitTest TesselationInOutsideUnitTest VectorUnitTest
 check_PROGRAMS = $(TESTS)
 noinst_PROGRAMS = $(TESTS)
@@ -44 +44 @@
 StackClassUnitTest_LDADD = ../libmolecuilder.a
 
+TesselationUnitTest_SOURCES = tesselationunittest.cpp tesselationunittest.hpp
+TesselationUnitTest_LDADD = ../libmolecuilder.a
+
+TesselationInOutsideUnitTest_SOURCES = tesselation_insideoutsideunittest.cpp tesselation_insideoutsideunittest.hpp
+TesselationInOutsideUnitTest_LDADD = ../libmolecuilder.a
+
 VectorUnitTest_SOURCES = vectorunittest.cpp vectorunittest.hpp 
 VectorUnitTest_LDADD = ../libmolecuilder.a

src/unittests/tesselationunittest.cpp

@@ -30 +30 @@
   class TesselPoint *Walker;
   Walker = new TesselPoint;
-  Walker->node = new Vector(1., 0., 0.);
-  Walker->Name = new char[3];
+  Walker->node = new Vector(1., 0., -1.);
+  Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
   strcpy(Walker->Name, "1");
   Walker->nr = 1;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
-  Walker->node = new Vector(-1., 1., 0.);
-  Walker->Name = new char[3];
+  Walker->node = new Vector(-1., 1., -1.);
+  Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
   strcpy(Walker->Name, "2");
   Walker->nr = 2;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
-  Walker->node = new Vector(-1., -1., 0.);
-  Walker->Name = new char[3];
+  Walker->node = new Vector(-1., -1., -1.);
+  Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
   strcpy(Walker->Name, "3");
   Walker->nr = 3;
@@ -49 +49 @@
   Walker = new TesselPoint;
   Walker->node = new Vector(-1., 0., 1.);
-  Walker->Name = new char[3];
+  Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
   strcpy(Walker->Name, "4");
   Walker->nr = 4;
@@ -59 +59 @@
   // create tesselation
   TesselStruct = new Tesselation;
-  TesselStruct->PointsOnBoundary.clear();
-  TesselStruct->LinesOnBoundary.clear();
-  TesselStruct->TrianglesOnBoundary.clear();
+  CPPUNIT_ASSERT_EQUAL( true, TesselStruct->PointsOnBoundary.empty() );
+  CPPUNIT_ASSERT_EQUAL( true, TesselStruct->LinesOnBoundary.empty() );
+  CPPUNIT_ASSERT_EQUAL( true, TesselStruct->TrianglesOnBoundary.empty() );
   TesselStruct->FindStartingTriangle(SPHERERADIUS, LinkedList);
-  bool flag = false;
 
-  LineMap::iterator baseline = TesselStruct->LinesOnBoundary.begin();
-  while (baseline != TesselStruct->LinesOnBoundary.end()) {
-    if (baseline->second->triangles.size() == 1) {
-      flag = TesselStruct->FindNextSuitableTriangle(*(baseline->second), *(((baseline->second->triangles.begin()))->second), SPHERERADIUS, LinkedList); //the line is there, so there is a triangle, but only one.
+  CandidateForTesselation *baseline = NULL;
+  BoundaryTriangleSet *T = NULL;
+  bool OneLoopWithoutSuccessFlag = true;
+  bool TesselationFailFlag = false;
+  while ((!TesselStruct->OpenLines.empty()) && (OneLoopWithoutSuccessFlag)) {
+    // 2a. fill all new OpenLines
+    for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++) {
+      baseline = Runner->second;
+      if (baseline->pointlist.empty()) {
+        T = (((baseline->BaseLine->triangles.begin()))->second);
+        TesselationFailFlag = TesselStruct->FindNextSuitableTriangle(*baseline, *T, SPHERERADIUS, LinkedList); //the line is there, so there is a triangle, but only one.
+      }
     }
-    baseline++;
-    if ((baseline == TesselStruct->LinesOnBoundary.end()) && (flag)) {
-      baseline = TesselStruct->LinesOnBoundary.begin();   // restart if we reach end due to newly inserted lines
-      flag = false;
+
+    // 2b. search for smallest ShortestAngle among all candidates
+    double ShortestAngle = 4.*M_PI;
+    for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++) {
+      if (Runner->second->ShortestAngle < ShortestAngle) {
+        baseline = Runner->second;
+        ShortestAngle = baseline->ShortestAngle;
+      }
+    }
+    if ((ShortestAngle == 4.*M_PI) || (baseline->pointlist.empty()))
+      OneLoopWithoutSuccessFlag = false;
+    else {
+      TesselStruct->AddCandidateTriangle(*baseline);
     }
   }
@@ -84 +100 @@
   delete(TesselStruct);
   for (LinkedNodes::iterator Runner = Corners.begin(); Runner != Corners.end(); Runner++) {
-    delete[]((*Runner)->Name);
     delete((*Runner)->node);
     delete(*Runner);
   }
   Corners.clear();
-};
-
-/** UnitTest for Tesselation::IsInnerPoint()
- */
-void TesselationTest::IsInnerPointTest()
-{
-  // true inside points
-  CPPUNIT_ASSERT_EQUAL( true, TesselStruct->IsInnerPoint(Vector(0.,0.,0.), LinkedList) );
-  CPPUNIT_ASSERT_EQUAL( true, TesselStruct->IsInnerPoint(Vector(0.5,0.,0.), LinkedList) );
-  CPPUNIT_ASSERT_EQUAL( true, TesselStruct->IsInnerPoint(Vector(0.,0.5,0.), LinkedList) );
-  CPPUNIT_ASSERT_EQUAL( true, TesselStruct->IsInnerPoint(Vector(0.,0.,0.5), LinkedList) );
-
-  // corners
-  for (LinkedNodes::iterator Runner = Corners.begin(); Runner != Corners.end(); Runner++)
-    CPPUNIT_ASSERT_EQUAL( true, TesselStruct->IsInnerPoint((*Runner), LinkedList) );
-
-  // true outside points
-  CPPUNIT_ASSERT_EQUAL( false, TesselStruct->IsInnerPoint(Vector(0.,5.,0.), LinkedList) );
-  CPPUNIT_ASSERT_EQUAL( false, TesselStruct->IsInnerPoint(Vector(0.,0.,5.), LinkedList) );
-  CPPUNIT_ASSERT_EQUAL( false, TesselStruct->IsInnerPoint(Vector(1.,1.,1.), LinkedList) );
-
-  // tricky point, there are three equally close triangles
-  CPPUNIT_ASSERT_EQUAL( false, TesselStruct->IsInnerPoint(Vector(5.,0.,0.), LinkedList) );
-
+  MemoryUsageObserver::purgeInstance();
+  logger::purgeInstance();
+  errorLogger::purgeInstance();
 };
 

src/unittests/tesselationunittest.hpp

@@ -21 +21 @@
 {
     CPPUNIT_TEST_SUITE( TesselationTest) ;
-    CPPUNIT_TEST ( IsInnerPointTest );
     CPPUNIT_TEST ( GetAllTrianglesTest );
     CPPUNIT_TEST ( ContainmentTest );
@@ -29 +28 @@
       void setUp();
       void tearDown();
-      void IsInnerPointTest();
       void GetAllTrianglesTest();
       void ContainmentTest();