Changeset f932b7

Timestamp:

Jun 18, 2010, 2:40:02 PM (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:

0d5dce

Parents:

394529

Message:

Added a method to calculate the intersection of a line with the unit sphere

Location:

src

Files:

• Line.cpp (modified) (1 diff)
• Line.hpp (modified) (1 diff)
• unittests/LineUnittest.cpp (modified) (1 diff)
• unittests/LineUnittest.hpp (modified) (2 diffs)

src/Line.cpp

@@ -215 +215 @@
 }
 
+std::vector<Vector> Line::getSphereIntersections() const{
+  std::vector<Vector> res;
+
+  // line is kept in normalized form, so we can skip a lot of calculations
+  double discriminant = 1-origin->NormSquared();
+  // we might have 2, 1 or 0 solutions, depending on discriminant
+  if(discriminant>=0){
+    if(discriminant==0){
+      res.push_back(*origin);
+    }
+    else{
+      Vector helper = sqrt(discriminant)*(*direction);
+      res.push_back(*origin+helper);
+      res.push_back(*origin-helper);
+    }
+  }
+  return res;
+}
+
 Line makeLineThrough(const Vector &x1, const Vector &x2){
   if(x1==x2){

src/Line.hpp

@@ -38 +38 @@
   Plane getOrthogonalPlane(const Vector &origin) const;
 
+  std::vector<Vector> getSphereIntersections() const;
+
 private:
   std::auto_ptr<Vector> origin;

src/unittests/LineUnittest.cpp

@@ -352 +352 @@
   CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
 }
+
+void LineUnittest::sphereIntersectionTest(){
+  {
+    std::vector<Vector> res = la1->getSphereIntersections();
+    CPPUNIT_ASSERT_EQUAL(res.size(),(size_t)2);
+    CPPUNIT_ASSERT(testDirection(res[0],e1));
+    CPPUNIT_ASSERT(testDirection(res[1],e1));
+    CPPUNIT_ASSERT(res[0]!=res[1]);
+  }
+
+  {
+    std::vector<Vector> res = la2->getSphereIntersections();
+    CPPUNIT_ASSERT_EQUAL(res.size(),(size_t)2);
+    CPPUNIT_ASSERT(testDirection(res[0],e2));
+    CPPUNIT_ASSERT(testDirection(res[1],e2));
+    CPPUNIT_ASSERT(res[0]!=res[1]);
+  }
+
+  {
+    std::vector<Vector> res = la3->getSphereIntersections();
+    CPPUNIT_ASSERT_EQUAL(res.size(),(size_t)2);
+    CPPUNIT_ASSERT(testDirection(res[0],e3));
+    CPPUNIT_ASSERT(testDirection(res[1],e3));
+    CPPUNIT_ASSERT(res[0]!=res[1]);
+  }
+
+  {
+    std::vector<Vector> res = lp1->getSphereIntersections();
+    CPPUNIT_ASSERT_EQUAL(res.size(),(size_t)2);
+    CPPUNIT_ASSERT((res[0]==e1) || (res[0]==e2));
+    CPPUNIT_ASSERT((res[1]==e1) || (res[1]==e2));
+    CPPUNIT_ASSERT(res[0]!=res[1]);
+  }
+
+  {
+    std::vector<Vector> res = lp2->getSphereIntersections();
+    CPPUNIT_ASSERT_EQUAL(res.size(),(size_t)2);
+    CPPUNIT_ASSERT((res[0]==e2) || (res[0]==e3));
+    CPPUNIT_ASSERT((res[1]==e2) || (res[1]==e3));
+    CPPUNIT_ASSERT(res[0]!=res[1]);
+  }
+
+  {
+    std::vector<Vector> res = lp3->getSphereIntersections();
+    CPPUNIT_ASSERT_EQUAL(res.size(),(size_t)2);
+    CPPUNIT_ASSERT((res[0]==e3) || (res[0]==e1));
+    CPPUNIT_ASSERT((res[1]==e3) || (res[1]==e1));
+    CPPUNIT_ASSERT(res[0]!=res[1]);
+  }
+}

src/unittests/LineUnittest.hpp

@@ -22 +22 @@
   CPPUNIT_TEST ( intersectionTest );
   CPPUNIT_TEST ( rotationTest );
+  CPPUNIT_TEST ( sphereIntersectionTest );
   CPPUNIT_TEST_SUITE_END();
 
@@ -33 +34 @@
   void intersectionTest();
   void rotationTest();
+  void sphereIntersectionTest();
 
 private: