source: src/BoundaryTriangleSet.hpp@ d74077

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 d74077 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: 1.7 KB
Line 
1/*
2 * BoundaryTriangleSet.hpp
3 *
4 * Created on: Jul 29, 2010
5 * Author: heber
6 */
7
8#ifndef BOUNDARYTRIANGLESET_HPP_
9#define BOUNDARYTRIANGLESET_HPP_
10
11#include "BoundaryMaps.hpp"
12#include "vector.hpp"
13
14#include <set>
15
16class BoundaryLineSet;
17class BoundaryPointSet;
18class BoundaryTriangleSet;
19class Plane;
20class TesselPoint;
21
22class BoundaryTriangleSet {
23 public:
24 BoundaryTriangleSet();
25 BoundaryTriangleSet(class BoundaryLineSet * const line[3], const int number);
26 ~BoundaryTriangleSet();
27
28 void GetNormalVector(const Vector &NormalVector);
29 void GetCenter(Vector &center) const;
30 bool GetIntersectionInsideTriangle(const Vector & MolCenter, const Vector &x, Vector &Intersection) const;
31 double GetClosestPointInsideTriangle(const Vector &x, Vector &ClosestPoint) const;
32 bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
33 bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
34 bool ContainsBoundaryPoint(const TesselPoint * const point) const;
35 class BoundaryPointSet *GetThirdEndpoint(const BoundaryLineSet * const line) const;
36 class BoundaryLineSet *GetThirdLine(const BoundaryPointSet * const point) const;
37 bool IsPresentTupel(const BoundaryPointSet * const Points[3]) const;
38 bool IsPresentTupel(const BoundaryTriangleSet * const T) const;
39
40 Plane getPlane() const;
41 Vector getEndpoint(int) const;
42 std::string getEndpointName(int) const;
43
44 class BoundaryPointSet *endpoints[3];
45 class BoundaryLineSet *lines[3];
46 Vector NormalVector;
47 Vector SphereCenter;
48 int Nr;
49
50 private:
51
52};
53
54std::ostream & operator << (std::ostream &ost, const BoundaryTriangleSet &a);
55
56
57#endif /* BOUNDARYTRIANGLESET_HPP_ */
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