source: src/Tesselation/CandidateForTesselation.hpp@ 41a467

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 41a467 was d127c8, checked in by Frederik Heber <heber@…>, 13 years ago

Moved modules related to Tesselation into own source subfolder.

  • This required quite a lot of changes in includes.
  • Property mode set to 100644
File size: 1.3 KB
Line 
1/*
2 * CandidateForTesselation.hpp
3 *
4 * Created on: Jul 29, 2010
5 * Author: heber
6 */
7
8#ifndef CANDIDATEFORTESSELATION_HPP_
9#define CANDIDATEFORTESSELATION_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
17#include "BoundaryMaps.hpp"
18#include "LinearAlgebra/Vector.hpp"
19
20#include <list>
21#include <set>
22
23class BoundaryLineSet;
24class BoundaryPointSet;
25class BoundaryTriangleSet;
26class LinkedCell;
27class TesselPoint;
28
29class CandidateForTesselation {
30 public :
31 CandidateForTesselation(BoundaryLineSet* currentBaseLine);
32 CandidateForTesselation(TesselPoint* candidate, BoundaryLineSet* currentBaseLine, BoundaryPointSet *point, const Vector &OptCandidateCenter, const Vector &OtherOptCandidateCenter);
33 ~CandidateForTesselation();
34
35 bool CheckValidity(const double RADIUS, const class LinkedCell *LC) const;
36
37 TesselPointList pointlist;
38 const BoundaryLineSet * BaseLine;
39 const BoundaryPointSet * ThirdPoint;
40 const BoundaryTriangleSet *T;
41 Vector OldCenter;
42 Vector OptCenter;
43 Vector OtherOptCenter;
44 double ShortestAngle;
45 double OtherShortestAngle;
46
47 private:
48 static const double HULLEPSILON; //!< TODO: Get rid of HULLEPSILON, points to numerical instabilities
49};
50
51std::ostream & operator <<(std::ostream &ost, const CandidateForTesselation &a);
52
53
54#endif /* CANDIDATEFORTESSELATION_HPP_ */
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