source: src/tesselationhelpers.hpp@ 44de80

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
Last change on this file since 44de80 was d74077, checked in by Frederik Heber <heber@…>, 15 years ago

Member variable Vector and element of class atom are now private.
  • Property mode set to 100644
File size: 3.6 KB
Line 
1/*
2 * TesselationHelpers.hpp
3 *
4 * Auxiliary functions for the tesselation.
5 *
6 * Created on: Aug 3, 2009
7 * Author: heber
8 */
9
10#ifndef TESSELATIONHELPERS_HPP_
11#define TESSELATIONHELPERS_HPP_
12
13using namespace std;
14
15/*********************************************** includes ***********************************/
16
17// include config.h
18#ifdef HAVE_CONFIG_H
19#include <config.h>
20#endif
21
22#include <iosfwd>
23
24#include "defs.hpp"
25
26/****************************************** forward declarations *****************************/
27
28class BoundaryPointSet;
29class BoundaryLineSet;
30class BoundaryTriangleSet;
31class BoundaryPolygonSet;
32class CandidateForTesselation;
33class LinkedCell;
34class TesselPoint;
35class PointCloud;
36class Tesselation;
37class Vector;
38
39/********************************************** definitions *********************************/
40
41/********************************************** declarations *******************************/
42
43void GetSphere(Vector & Center, const Vector &a, const Vector &b, const Vector &c, const double RADIUS);
44void GetCenterOfSphere(Vector& Center, const Vector &a, const Vector &b, const Vector &c, Vector &NewUmkreismittelpunkt, const Vector &Direction, const Vector* const AlternativeDirection, const double HalfplaneIndicator, const double AlternativeIndicator, const double alpha, const double beta, const double gamma, const double RADIUS, const double Umkreisradius);
45void GetCenterofCircumcircle(Vector & Center, const Vector &a, const Vector &b, const Vector &c);
46double GetPathLengthonCircumCircle(const Vector &CircleCenter, const Vector &CirclePlaneNormal, const double CircleRadius, const Vector &NewSphereCenter, const Vector &OldSphereCenter, const Vector &NormalVector, const Vector &SearchDirection);
47double CalculateVolumeofGeneralTetraeder(const Vector &a, const Vector &b, const Vector &c, const Vector &d);
48double CalculateAreaofGeneralTriangle(const Vector &A, const Vector &B, const Vector &C);
49double GetAngle(const Vector &point, const Vector &reference, const Vector &OrthogonalVector);
50
51bool CheckLineCriteriaForDegeneratedTriangle(const BoundaryPointSet * const nodes[3]);
52bool SortCandidates(const CandidateForTesselation* candidate1, const CandidateForTesselation *candidate2);
53TesselPoint* FindClosestTesselPoint(const Vector & Point, TesselPoint *&SecondPoint, const LinkedCell* const LC);
54TesselPoint* FindSecondClosestTesselPoint(const Vector &, const LinkedCell* const LC);
55Vector * GetClosestPointBetweenLine(const BoundaryLineSet * const Base, const BoundaryLineSet * const OtherBase);
56
57void WriteTecplotFile(ofstream * const tecplot, const Tesselation * const TesselStruct, const PointCloud * const cloud, const int N);
58void WriteRaster3dFile(ofstream * const rasterfile, const Tesselation * const Tess, const PointCloud * const cloud);
59void IncludeSphereinRaster3D(ofstream * const rasterfile, const Tesselation *Tess, const PointCloud *cloud);
60void WriteVrmlFile(ofstream * const vrmlfile, const Tesselation * const Tess, const PointCloud * const cloud);
61void CalculateConcavityPerBoundaryPoint(const Tesselation * const TesselStruct);
62void CalculateConstrictionPerBoundaryPoint(const Tesselation * const TesselStruct, const Tesselation * const Convex);
63double DistanceToTrianglePlane(const Vector &x, const BoundaryTriangleSet * const triangle);
64
65bool CheckListOfBaselines(const Tesselation * const TesselStruct);
66
67int CountTrianglePairContainingPolygon(const BoundaryPolygonSet * const P, const TriangleSet * const T);
68bool ArePolygonsEdgeConnected(const BoundaryPolygonSet * const P1, const BoundaryPolygonSet * const P2);
69void CombinePolygons(BoundaryPolygonSet * const P1, BoundaryPolygonSet * &P2);
70
71
72#endif /* TESSELATIONHELPERS_HPP_ */
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