Changeset 471dec for src/Tesselation

Timestamp:

Mar 28, 2012, 1:23:11 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:

03a713

Parents:

368207

git-author:

Frederik Heber <heber@…> (03/14/12 20:22:42)

git-committer:

Frederik Heber <heber@…> (03/28/12 13:23:11)

Message:

Added BoundaryTriangleSet::IsInsideTriangle().

• this is preparatory for finding a bug in GetClosestPointInsideTriangle().
• refactored in-test triangle creation into distinct function.
• added extensive unit test on this function.

Location:

src/Tesselation

Files:

• BoundaryTriangleSet.cpp (modified) (1 diff)
• BoundaryTriangleSet.hpp (modified) (1 diff)
• unittests/Tesselation_BoundaryTriangleUnitTest.cpp (modified) (4 diffs)
• unittests/Tesselation_BoundaryTriangleUnitTest.hpp (modified) (3 diffs)

src/Tesselation/BoundaryTriangleSet.cpp ¶

@@ -371 +371 @@
 ;
 
+/** Checks whether a given point is inside the plane of the triangle and inside the
+ * bounds defined by its BoundaryLineSet's.
+ *
+ * @param point point to check
+ * @return true - point is inside place and inside all BoundaryLine's
+ */
+bool BoundaryTriangleSet::IsInsideTriangle(const Vector &point) const
+{
+  Info FunctionInfo(__func__);
+
+  // check if it's inside the plane
+  try {
+    Plane trianglePlane(
+        endpoints[0]->node->getPosition(),
+        endpoints[1]->node->getPosition(),
+        endpoints[2]->node->getPosition());
+    if (!trianglePlane.isContained(point)) {
+      LOG(1, "INFO: Point " << point << " is not inside plane " << trianglePlane << " by "
+          << trianglePlane.distance(point) << ".");
+      return false;
+    }
+  } catch(LinearDependenceException) {
+    // triangle is degenerated, it's just a line (i.e. one endpoint is right in between two others
+    for (size_t i = 0; i < NDIM; ++i) {
+      try {
+        Line l = makeLineThrough(
+            lines[i]->endpoints[0]->node->getPosition(),
+            lines[i]->endpoints[1]->node->getPosition());
+        if (l.isContained(GetThirdEndpoint(lines[i])->node->getPosition())) {
+          // we have the largest of the three lines
+          LOG(1, "INFO: Linear-dependent case where point " << point << " is on line " << l << ".");
+          return (l.isContained(point));
+        }
+      } catch(ZeroVectorException) {
+        // two points actually coincide
+        try {
+          Line l = makeLineThrough(
+              lines[i]->endpoints[0]->node->getPosition(),
+              GetThirdEndpoint(lines[i])->node->getPosition());
+          LOG(1, "INFO: Degenerated case where point " << point << " is on line " << l << ".");
+          return (l.isContained(point));
+        } catch(ZeroVectorException) {
+          // all three points coincide
+          if (point.DistanceSquared(lines[i]->endpoints[0]->node->getPosition()) < MYEPSILON) {
+            LOG(1, "INFO: Full-Degenerated case where point " << point << " is on three endpoints "
+                << lines[i]->endpoints[0]->node->getPosition() << ".");
+            return true;
+          }
+          else return false;
+        }
+      }
+    }
+  }
+
+  // check whether it lies on the correct side as given by third endpoint for
+  // each BoundaryLine.
+  // NOTE: we assume here that endpoints are linear independent, as the case
+  // has been caught before already extensively
+  for (size_t i = 0; i < NDIM; ++i) {
+    Line l = makeLineThrough(
+        lines[i]->endpoints[0]->node->getPosition(),
+        lines[i]->endpoints[1]->node->getPosition());
+    Vector onLine( l.getClosestPoint(point) );
+    LOG(1, "INFO: Closest point on boundary line is " << onLine << ".");
+    Vector inTriangleDirection( GetThirdEndpoint(lines[i])->node->getPosition() - onLine );
+    Vector inPointDirection(point - onLine);
+    if ((inTriangleDirection.NormSquared() > MYEPSILON) && (inPointDirection.NormSquared() > MYEPSILON))
+      if (inTriangleDirection.ScalarProduct(inPointDirection) < -MYEPSILON)
+        return false;
+  }
+
+  return true;
+}
+
+
 /** Returns the endpoint which is not contained in the given \a *line.
  * \param *line baseline defining two endpoints

src/Tesselation/BoundaryTriangleSet.hpp ¶

@@ -42 +42 @@
     bool IsPresentTupel(const BoundaryPointSet * const Points[3]) const;
     bool IsPresentTupel(const BoundaryTriangleSet * const T) const;
+    bool IsInsideTriangle(const Vector &point) const;
 
     Plane getPlane() const;

src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.cpp ¶

@@ -30 +30 @@
 #include "Helpers/defs.hpp"
 #include "Atom/TesselPoint.hpp"
+#include "LinearAlgebra/Plane.hpp"
+#include "LinearAlgebra/VectorSet.hpp"
 #include "Tesselation/BoundaryPointSet.hpp"
 #include "Tesselation/BoundaryLineSet.hpp"
@@ -49 +51 @@
 
 
-void TesselationBoundaryTriangleTest::setUp()
-{
-  setVerbosity(5);
+void TesselationBoundaryTriangleTest::createTriangle(const std::vector<Vector> &Vectors)
+{
+  CPPUNIT_ASSERT_EQUAL( (size_t)3, Vectors.size() );
 
   // create nodes
-  tesselpoints[0] = new TesselPoint;
-  tesselpoints[0]->setPosition(Vector(0., 0., 0.));
-  tesselpoints[0]->setName("1");
-  tesselpoints[0]->setNr(1);
-  points[0] = new BoundaryPointSet(tesselpoints[0]);
-  tesselpoints[1] = new TesselPoint;
-  tesselpoints[1]->setPosition(Vector(0., 1., 0.));
-  tesselpoints[1]->setName("2");
-  tesselpoints[1]->setNr(2);
-  points[1] = new BoundaryPointSet(tesselpoints[1]);
-  tesselpoints[2] = new TesselPoint;
-  tesselpoints[2]->setPosition(Vector(1., 0., 0.));
-  tesselpoints[2]->setName("3");
-  tesselpoints[2]->setNr(3);
-  points[2] = new BoundaryPointSet(tesselpoints[2] );
+  for (size_t count = 0; count < NDIM; ++count) {
+    tesselpoints[count] = new TesselPoint;
+    tesselpoints[count]->setPosition( Vectors[count] );
+    tesselpoints[count]->setName(toString(count));
+    tesselpoints[count]->setNr(count);
+    points[count] = new BoundaryPointSet(tesselpoints[count]);
+  }
 
   // create line
@@ -77 +71 @@
   // create triangle
   triangle = new BoundaryTriangleSet(lines, 0);
-  triangle->GetNormalVector(Vector(0.,0.,1.));
-};
-
+  Plane p(Vectors[0], Vectors[1], Vectors[2]);
+  triangle->GetNormalVector(p.getNormal());
+}
+
+void TesselationBoundaryTriangleTest::setUp()
+{
+  setVerbosity(5);
+
+  // create nodes
+  std::vector<Vector> Vectors;
+  Vectors.push_back( Vector(0., 0., 0.) );
+  Vectors.push_back( Vector(0., 1., 0.) );
+  Vectors.push_back( Vector(1., 0., 0.) );
+
+  // create triangle
+  createTriangle(Vectors);
+}
 
 void TesselationBoundaryTriangleTest::tearDown()
@@ -92 +100 @@
 };
 
+/** UnitTest for Tesselation::IsInsideTriangle()
+ */
+void TesselationBoundaryTriangleTest::IsInsideTriangleTest()
+{
+  // inside points
+  {
+    // check each endnode
+    for (size_t i=0; i< NDIM; ++i) {
+      const Vector testPoint(triangle->endpoints[i]->node->getPosition());
+      LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
+      CPPUNIT_ASSERT( triangle->IsInsideTriangle( testPoint ) );
+    }
+  }
+
+  {
+    // check points along each BoundaryLine
+    for (size_t i=0; i< NDIM; ++i) {
+      Vector offset = triangle->endpoints[i%3]->node->getPosition();
+      Vector direction = triangle->endpoints[(i+1)%3]->node->getPosition() - offset;
+      for (double s = 0.1; s < 1.; s+= 0.1) {
+        Vector testPoint = offset + s*direction;
+        LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
+        CPPUNIT_ASSERT( triangle->IsInsideTriangle( testPoint ) );
+      }
+    }
+  }
+
+  {
+    // check central point
+    Vector center;
+    triangle->GetCenter(center);
+    LOG(1, "INFO: Testing whether " << center << " is an inner point.");
+    CPPUNIT_ASSERT( triangle->IsInsideTriangle( center ) );
+  }
+
+  // outside points
+  {
+    // check points outside (i.e. those not in xy-plane through origin)
+    double n[3];
+    const double boundary = 4.;
+    const double step = 1.;
+    // go through the cube and check each point
+    for (n[0] = -boundary; n[0] <= boundary; n[0]+=step)
+      for (n[1] = -boundary; n[1] <= boundary; n[1]+=step)
+        for (n[2] = -boundary; n[2] <= boundary; n[2]+=step) {
+          const Vector testPoint(n[0], n[1], n[2]);
+          if (n[2] != 0) {
+            LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
+            CPPUNIT_ASSERT( !triangle->IsInsideTriangle( testPoint ) );
+          }
+        }
+  }
+
+  {
+    // check points within the plane but outside of triangle
+    double n[3];
+    const double boundary = 4.;
+    const double step = 1.;
+    n[2] = 0;
+    for (n[0] = -boundary; n[0] <= boundary; n[0]+=step)
+      for (n[1] = -boundary; n[1] <= boundary; n[1]+=step) {
+        const Vector testPoint(n[0], n[1], n[2]);
+        if ((n[0] >=0) && (n[1] >=0) && (n[0]<=1) && (n[1]<=1)) {
+          if (n[0]+n[1] <= 1) {
+            LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
+            CPPUNIT_ASSERT( triangle->IsInsideTriangle( testPoint) );
+          } else {
+            LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
+            CPPUNIT_ASSERT( !triangle->IsInsideTriangle( testPoint) );
+          }
+        } else {
+          LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
+          CPPUNIT_ASSERT( !triangle->IsInsideTriangle( testPoint) );
+        }
+      }
+  }
+}
+
+/** UnitTest for Tesselation::IsInsideTriangle()
+ *
+ * We test for some specific points that occured in larger examples of the code.
+ *
+ */
+void TesselationBoundaryTriangleTest::IsInsideTriangle_specificTest()
+{
+  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].
+    const Vector testPoint(1.57318,1.57612,10.9874);
+    const Vector testIntersection(23.1644,24.1867,65.1272);
+    std::vector<Vector> vectors;
+    vectors.push_back( Vector(23.0563,30.4673,73.7555) );
+    vectors.push_back( Vector(25.473,25.1512,68.5467) );
+    vectors.push_back( Vector(23.1644,24.1867,65.1272) );
+    createTriangle(vectors);
+    CPPUNIT_ASSERT( triangle->IsInsideTriangle( testIntersection ) );
+  }
+}
+
 /** UnitTest for Tesselation::IsInnerPoint()
  */

src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.hpp ¶

@@ -19 +19 @@
 #include <cppunit/extensions/HelperMacros.h>
 
+#include <vector>
+
+#include "LinearAlgebra/Vector.hpp"
 #include "LinkedCell/linkedcell.hpp"
 #include "Tesselation/tesselation.hpp"
@@ -29 +32 @@
 {
     CPPUNIT_TEST_SUITE( TesselationBoundaryTriangleTest) ;
+    CPPUNIT_TEST ( IsInsideTriangleTest );
+    CPPUNIT_TEST ( IsInsideTriangle_specificTest );
     CPPUNIT_TEST ( GetClosestPointOnPlaneTest );
     CPPUNIT_TEST ( GetClosestPointOffPlaneTest );
@@ -36 +41 @@
       void setUp();
       void tearDown();
+      void IsInsideTriangleTest();
+      void IsInsideTriangle_specificTest();
       void GetClosestPointOnPlaneTest();
       void GetClosestPointOffPlaneTest();
 
 private:
+      void createTriangle(const std::vector<Vector> &Vectors);
+
       static const double SPHERERADIUS;