Changeset 09898c for src/tesselation.hpp

Timestamp:

Apr 12, 2010, 4:44:29 PM (16 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, Candidate_v1.7.0, 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:

f8bd7d

Parents:

ffe885

git-author:

Frederik Heber <heber@…> (04/12/10 16:35:12)

git-committer:

Frederik Heber <heber@…> (04/12/10 16:44:29)

Message:

Changes to BoundaryTriangleSet and CandidateForTesselation.

• BoundaryTriangleSet:
  • new member variable top which references the triangle we have been "tesselated from"
  • new member variable AngleFromTop which stores the angle that was used during tesselation from top
  • new member function SetTopNode()
  • Tesselation::AddCandidateTriangle() sets top and AngleFromTop

• CandidateForTesselation:
  • new member ThirdPoint contains third point of triangle whose baseline is the base line
  • new member T which contains the whole triangle
  • constructor receives this third point additionally
  • destructor does not set Baseline to NULL (due to being const)
  • BUGFIX: CheckValidity() checks only OptCenter, other is not valid anyway!, did not went through pointlist at all (begin, begin), some verbosity changes, added animate_sphere script call
  • Tesselation::FindThirdPointForTesselation() sets ThirdPoint
  • Tesselation::FindNextSuitableTriangle() sets T

• BUGFIX: Tesselation::FindThirdPointForTesselation() clear CandidateLine.pointlist, which seemed to have contained old candidates from old runs.
• Tesselation::FindNextSuitableTriangle(): tesselPoint ThirdNode is now a BoundaryPointSet ThirdPoint (which has a name!)

Signed-off-by: Frederik Heber <heber@…>

File:

• src/tesselation.hpp (modified) (5 diffs)

src/tesselation.hpp

@@ -42 +42 @@
 
 #define DoTecplotOutput 1
-#define DoRaster3DOutput 0
+#define DoRaster3DOutput 1
 #define DoVRMLOutput 0
 #define TecplotSuffix ".dat"
@@ -163 +163 @@
     bool IsPresentTupel(const BoundaryPointSet * const Points[3]) const;
     bool IsPresentTupel(const BoundaryTriangleSet * const T) const;
+    void SetTopNode(const BoundaryTriangleSet * const topnode);
 
     class BoundaryPointSet *endpoints[3];
     class BoundaryLineSet *lines[3];
+    const BoundaryTriangleSet *top; //!< triangle was instantiated during tesselation from this triangle
+    double AngleFromTop;
     Vector NormalVector;
     Vector SphereCenter;
@@ -249 +252 @@
   public :
   CandidateForTesselation(BoundaryLineSet* currentBaseLine);
-  CandidateForTesselation(TesselPoint* candidate, BoundaryLineSet* currentBaseLine, Vector OptCandidateCenter, Vector OtherOptCandidateCenter);
+  CandidateForTesselation(TesselPoint* candidate, BoundaryLineSet* currentBaseLine, BoundaryPointSet *point, Vector OptCandidateCenter, Vector OtherOptCandidateCenter);
   ~CandidateForTesselation();
 
@@ -255 +258 @@
 
   TesselPointList pointlist;
-  BoundaryLineSet *BaseLine;
+  const BoundaryLineSet * BaseLine;
+  const BoundaryPointSet * ThirdPoint;
+  const BoundaryTriangleSet *T;
+  Vector OldCenter;
   Vector OptCenter;
   Vector OtherOptCenter;
@@ -289 +295 @@
     void FindStartingTriangle(const double RADIUS, const LinkedCell *LC);
     void FindSecondPointForTesselation(class TesselPoint* a, Vector Oben, class TesselPoint*& OptCandidate, double Storage[3], double RADIUS, const LinkedCell *LC);
-    void FindThirdPointForTesselation(Vector &NormalVector, Vector &SearchDirection, Vector &OldSphereCenter, CandidateForTesselation &CandidateLine, const class TesselPoint  * const ThirdNode, const double RADIUS, const LinkedCell *LC) const;
+    void FindThirdPointForTesselation(Vector &NormalVector, Vector &SearchDirection, Vector &OldSphereCenter, CandidateForTesselation &CandidateLine, const class BoundaryPointSet  * const ThirdNode, const double RADIUS, const LinkedCell *LC) const;
     bool FindNextSuitableTriangle(CandidateForTesselation &CandidateLine, BoundaryTriangleSet &T, const double& RADIUS, const LinkedCell *LC);
     int CheckPresenceOfTriangle(class TesselPoint *Candidates[3]) const;