Changeset f67b6e for src/tesselation.hpp

Timestamp:

Nov 25, 2009, 3:29:18 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, 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:

7273fc

Parents:

8725ed

Message:

Multi-Candidate-Add included and incorporated class Info into boundary.cpp, tesselation.cpp and tesselationhelpers.cpp

• class Info incorporation:
  • (almost) all functions of boundary.cpp, tesselation.cpp and tesselationhelpers.cpp now begins with class Info FunctionName(func);

• Multi-Candidate-Add:
  • CandidateForTesselation now contains a pointlist instead of a single point
  • Tesselation::AddCandidateTriangle() adds an polygon (for multiple candidates) instead of a single triangle.
  • HasOtherBaselineBetterCandidate() was commented out (it is to be checked whether we really need this)
  • Tesselation::FindNextSuitableTriangle() is reduced to pre-calculation of centers and calling Tesselation::FindThirdPointForTesselation()
  • Tesselation::FindThirdPointForTesselation() now fills the CandidateForTesselation::pointlist
  • Tesselation::FindStartingTriangle() now creates a CandidateForTesselation inside the NDIM-loop and Tesselation::FindThirdPointForTesselation() fills it.

File:

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

src/tesselation.hpp ¶

@@ -65 +65 @@
 #define DistanceMultiMap multimap <double, pair < PointMap::iterator, PointMap::iterator> >
 #define DistanceMultiMapPair pair <double, pair < PointMap::iterator, PointMap::iterator> >
+
+#define TesselPointList list <TesselPoint *>
 
 /********************************************** declarations *******************************/
@@ -192 +194 @@
   ~CandidateForTesselation();
 
-  TesselPoint *point;
+  TesselPointList pointlist;
   BoundaryLineSet *BaseLine;
   Vector OptCenter;
@@ -218 +220 @@
     void AddTesselationTriangle();
     void AddTesselationTriangle(const int nr);
-    void AddCandidateTriangle(CandidateForTesselation &CandidateLine);
+    void AddCandidateTriangle(CandidateForTesselation CandidateLine);
     void RemoveTesselationTriangle(class BoundaryTriangleSet *triangle);
     void RemoveTesselationLine(class BoundaryLineSet *line);
@@ -227 +229 @@
     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, class BoundaryLineSet *BaseLine, const class TesselPoint * const ThirdNode, CandidateList* &candidates, double *ShortestAngle, const double RADIUS, const LinkedCell *LC) const;
+    void FindThirdPointForTesselation(Vector &NormalVector, Vector &SearchDirection, Vector &OldSphereCenter, CandidateForTesselation &CandidateLine, const class TesselPoint  * 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;
@@ -296 +298 @@
     mutable PointMap::const_iterator InternalPointer;
 
-    bool HasOtherBaselineBetterCandidate(const BoundaryLineSet * const BaseRay, const TesselPoint * const OptCandidate, double ShortestAngle, double RADIUS, const LinkedCell * const LC) const;
+    //bool HasOtherBaselineBetterCandidate(const BoundaryLineSet * const BaseRay, const TesselPoint * const OptCandidate, double ShortestAngle, double RADIUS, const LinkedCell * const LC) const;
 };