Changeset 62bb91 for src/tesselation.hpp

Timestamp:

Aug 4, 2009, 1:48:57 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:

ef0e6d

Parents:

03e57a

Message:

Fixes for concave hull creation

• fixed BoundaryLineSet::CheckConvexityCriterion(), we now compare the two heights of the triangles, not the NormalVector which was nonsense
• new functions BoundaryLineSet::GetOtherEndpoint(), BoundaryTriangleSet::GetThirdEndpoint()
• Tesselation::InsertStraddlingPoints() receives LinkedCell pointer and uses FindClosestTrianglesToPoint(), and some verbosity added
• generally replaced [aA]tom by [pPoint]
• Tesselation::CorrectConcaveBaselines() (almost) corrected
• IsInnerPoint is overloaded function which calls FindClosestTriangleToPoint() to decide
• getAngle() receives references instead of copies with exception of OrthogonalVector which is made orthonormal to reference - center (is a FIX)

File:

• src/tesselation.hpp (modified) (4 diffs)

src/tesselation.hpp

@@ -95 +95 @@
     bool ContainsBoundaryPoint(class BoundaryPointSet *point);
     bool CheckConvexityCriterion(ofstream *out);
+    class BoundaryPointSet *GetOtherEndpoint(class BoundaryPointSet *);
 
     class BoundaryPointSet *endpoints[2];
@@ -116 +117 @@
     bool ContainsBoundaryLine(class BoundaryLineSet *line);
     bool ContainsBoundaryPoint(class BoundaryPointSet *point);
+    class BoundaryPointSet *GetThirdEndpoint(class BoundaryLineSet *line);
     bool IsPresentTupel(class BoundaryPointSet *Points[3]);
+    void GetCenter(Vector *center);
 
     class BoundaryPointSet *endpoints[3];
@@ -202 +205 @@
 
     // convex envelope
-    class BoundaryTriangleSet * FindClosestTriangleToPoint(ofstream *out, Vector *x);
     void TesselateOnBoundary(ofstream *out, PointCloud *cloud);
     void GuessStartingTriangle(ofstream *out);
-    bool InsertStraddlingPoints(ofstream *out, PointCloud *cloud);
+    bool InsertStraddlingPoints(ofstream *out, PointCloud *cloud, LinkedCell *LC);
     bool CorrectConcaveBaselines(ofstream *out);
 
-    list<TesselPoint*> * getClosestConnectedAtoms(TesselPoint* Atom, TesselPoint* AtomToCheck);
+    list<TesselPoint*> * getCircleOfConnectedPoints(ofstream *out, TesselPoint* Point, Vector* Reference);
     list<BoundaryTriangleSet*> *FindTriangles(TesselPoint* Points[3]);
+    list<BoundaryTriangleSet*> * FindClosestTrianglesToPoint(ofstream *out, Vector *x, LinkedCell* LC);
+    class BoundaryTriangleSet * FindClosestTriangleToPoint(ofstream *out, Vector *x, LinkedCell* LC);
+    bool IsInnerPoint(ofstream *out, Vector Point, LinkedCell* LC);
+    bool IsInnerPoint(ofstream *out, TesselPoint *Point, LinkedCell* LC);
 
     PointMap PointsOnBoundary;
@@ -227 +233 @@
 bool CheckLineCriteriaforDegeneratedTriangle(class BoundaryPointSet *nodes[3]);
 bool sortCandidates(class CandidateForTesselation* candidate1, class CandidateForTesselation* candidate2);
-TesselPoint* findClosestAtom(const TesselPoint* Atom, LinkedCell* LC);
-double getAngle(Vector point, Vector reference, Vector center, Vector OrthogonalVector);
-bool IsInnerPoint(Vector Point, class Tesselation *Tess, LinkedCell* LC) ;
-bool IsInnerPoint(TesselPoint *Atom, class Tesselation *Tess, LinkedCell* LC);
+TesselPoint* findClosestPoint(const Vector* Point, LinkedCell* LC);
+double getAngle(const Vector &point, const Vector &reference, const Vector &center, Vector OrthogonalVector);
 
 #endif /* TESSELATION_HPP_ */