source: src/tesselationhelpers.hpp@ c26f44

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 c26f44 was 7dea7c, checked in by Frederik Heber <heber@…>, 16 years ago

Fixes to the (Non)ConvexTesselation, working with 1_2_dimethoxyethylene

minor changes:

major changes:
  • Property mode set to 100644
File size: 2.6 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// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include <gsl/gsl_linalg.h>
21#include <gsl/gsl_matrix.h>
22#include <gsl/gsl_multimin.h>
23#include <gsl/gsl_permutation.h>
24#include <gsl/gsl_vector.h>
25
26#include "defs.hpp"
27#include "tesselation.hpp"
28#include "vector.hpp"
29
30#define HULLEPSILON 1e-10
31
32double DetGet(gsl_matrix *A, int inPlace);
33void GetSphere(Vector *center, Vector &a, Vector &b, Vector &c, double RADIUS);
34void GetCenterOfSphere(Vector* Center, Vector a, Vector b, Vector c, Vector *NewUmkreismittelpunkt, Vector* Direction, Vector* AlternativeDirection, double HalfplaneIndicator, double AlternativeIndicator, double alpha, double beta, double gamma, double RADIUS, double Umkreisradius);
35void GetCenterofCircumcircle(Vector *Center, Vector *a, Vector *b, Vector *c);
36double GetPathLengthonCircumCircle(Vector &CircleCenter, Vector &CirclePlaneNormal, double CircleRadius, Vector &NewSphereCenter, Vector &OldSphereCenter, Vector &NormalVector, Vector &SearchDirection);
37double MinIntersectDistance(const gsl_vector * x, void *params);
38bool existsIntersection(Vector point1, Vector point2, Vector point3, Vector point4);
39double CalculateVolumeofGeneralTetraeder(Vector *a, Vector *b, Vector *c, Vector *d);
40double GetAngle(const Vector &point, const Vector &reference, const Vector OrthogonalVector);
41
42bool CheckLineCriteriaForDegeneratedTriangle(class BoundaryPointSet *nodes[3]);
43bool SortCandidates(class CandidateForTesselation* candidate1, class CandidateForTesselation* candidate2);
44TesselPoint* FindClosestPoint(const Vector* Point, TesselPoint *&SecondPoint, LinkedCell* LC);
45TesselPoint* FindSecondClosestPoint(const Vector*, LinkedCell*);
46Vector * GetClosestPointBetweenLine(ofstream *out, class BoundaryLineSet *Base, class BoundaryLineSet *OtherBase);
47
48void WriteTecplotFile(ofstream *out, ofstream *tecplot, class Tesselation *TesselStruct, PointCloud *cloud, int N);
49void WriteRaster3dFile(ofstream *out, ofstream *rasterfile, class Tesselation *Tess, PointCloud *cloud);
50void IncludeSphereinRaster3D(ofstream *out, ofstream *rasterfile, class Tesselation *Tess, PointCloud *cloud);
51void WriteVrmlFile(ofstream *out, ofstream *vrmlfile, class Tesselation *Tess, PointCloud *cloud);
52void CalculateConcavityPerBoundaryPoint(ofstream *out, class Tesselation *TesselStruct);
53
54bool CheckListOfBaselines(ofstream *out, Tesselation *TesselStruct);
55
56
57#endif /* TESSELATIONHELPERS_HPP_ */
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