Changeset 57066a for src/tesselationhelpers.hpp

Timestamp:

Sep 28, 2009, 8:00:33 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:

e4a379

Parents:

91e7e4a

git-author:

Frederik Heber <heber@…> (09/28/09 18:47:54)

git-committer:

Frederik Heber <heber@…> (09/28/09 20:00:33)

Message:

Various fixes and attempt to get convex hull working.

• Tesselation::FlipBaseline: Now returns pointer to new baseline or NULL if not flipped
• Tesselation::PickFarthestofTwoBaselines() returns volume change due to flipping
• WriteTecplotFile(): ZONE name now contains nodes of last triangle, incorporates upper two changes
• ConvexizeNonconvexEnvelope(): additional dummy string to add single step output of intermediate envelopes
• TesselStruct::RemovePointFromTesselatedSurface(): Now returns volume lost due to point removal
• ConvexizeNonconvexEnvelope() evaluates change in volume due to added/removed points
• FindNonConvexBorder(): last two parameters have changed position, we check for NULL filename before writing, we add straddling points by InsertStraddlingPoints() (is better than AddBoundaryPointByDegeneratedTriangle()), IsInnerAtom() test removed
• new function AddBoundaryPointByDegeneratedTriangle() to add outside points
• StoreTrianglesinFile() contains the triangle storing
• boundary.cpp: typos, Verbose() changes and Verbosity reduced
• new function BoundaryTriangleSet::IsPresentTupel(), checks whether two triangles are the same, used in Tesselation::FindTriangles()
• new attribute Tesselation::LastTriangle contains pointer to last added triangle
• FIX: Tesselation::FindNextSuitableTriangle() checks for existentTriangleCount between 1 and 3 (as is the number of already present lines) and checks for zero NormalVector of created triangle
• Tesselation::FindSecondPointForTesselation(): removed parameter Candidate
• Tesselation::FindClosestTrianglesToPoint() now has a list of triangles from the nearest point which we look through for nearest triangle
• BUGFIX: Tesselation::IsInnerPoint() now takes center of triangle with respect to point to decide whether in- or outside
• FIX: Tesselation::GetPathsOfConnectedPoints() notes down touched triangles as well in order move along the surrounding triangles sequentially
• FIX: Tesselation::RemovePointFromTesselatedSurface(): Huge changes, from the closed path of connected points we remove one by one by adding the respective triangle and try to do it in such an order, that the volume is maximized

• new function Tesselation::FindAllDegeneratedTriangles(), pendant to Tesselation::FindAllDegeneratedLines()
• FIX: new function Tesselation::RemoveDegeneratedTriangles()
• new function Tesselation::AddBoundaryPointByDegeneratedTriangle()

Moved tesselation writing to tesselation.cpp

• WriteVrmlFile(), WriteRaster3dFile(), WriteTecplotFile() moved to tesselation.cpp
• these also don't use molecule anymore, but the PointCloud structure (hence, bonds are no more visible)
• new function TesselStruct::Output() which performs the writing
• new function InsertSphereInRaster3D(), which places a sphere at the position of the last triangle

File:

• src/tesselationhelpers.hpp (modified) (2 diffs)

src/tesselationhelpers.hpp

@@ -25 +25 @@
 
 #include "defs.hpp"
+#include "tesselation.hpp"
 #include "vector.hpp"
 
@@ -37 +38 @@
 bool existsIntersection(Vector point1, Vector point2, Vector point3, Vector point4);
 double CalculateVolumeofGeneralTetraeder(Vector *a, Vector *b, Vector *c, Vector *d);
+double GetAngle(const Vector &point, const Vector &reference, const Vector OrthogonalVector);
+
+bool CheckLineCriteriaForDegeneratedTriangle(class BoundaryPointSet *nodes[3]);
+bool SortCandidates(class CandidateForTesselation* candidate1, class CandidateForTesselation* candidate2);
+TesselPoint* FindClosestPoint(const Vector* Point, TesselPoint *&SecondPoint, LinkedCell* LC);
+TesselPoint* FindSecondClosestPoint(const Vector*, LinkedCell*);
+Vector * GetClosestPointBetweenLine(ofstream *out, class BoundaryLineSet *Base, class BoundaryLineSet *OtherBase);
+
+void WriteTecplotFile(ofstream *out, ofstream *tecplot, class Tesselation *TesselStruct, PointCloud *cloud, int N);
+void WriteRaster3dFile(ofstream *out, ofstream *rasterfile, class Tesselation *Tess, PointCloud *cloud);
+void IncludeSphereinRaster3D(ofstream *out, ofstream *rasterfile, class Tesselation *Tess, PointCloud *cloud);
+void WriteVrmlFile(ofstream *out, ofstream *vrmlfile, class Tesselation *Tess, PointCloud *cloud);