source: src/BoundaryTriangleSet.hpp@ ad28ef

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 ad28ef was 56f73b, checked in by Frederik Heber <heber@…>, 14 years ago

Added config.h also to all header files, code check test ascertain this in the future.

  • as we want to use config.h to pass stuff such as MEMDEBUG, NDEBUG, LOG_OBSERVER, we have to make sure that it is present in each and every file.
  • split up CodeChecks/testsuite.at: each test has its own .at file.
  • 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 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
20class BoundaryLineSet;
21class BoundaryPointSet;
22class BoundaryTriangleSet;
23class Plane;
24class TesselPoint;
25
26class BoundaryTriangleSet {
27 public:
28 BoundaryTriangleSet();
29 BoundaryTriangleSet(class BoundaryLineSet * const line[3], const int number);
30 ~BoundaryTriangleSet();
31
32 void GetNormalVector(const Vector &NormalVector);
33 void GetCenter(Vector &center) const;
34 bool GetIntersectionInsideTriangle(const Vector & MolCenter, const Vector &x, Vector &Intersection) const;
35 double GetClosestPointInsideTriangle(const Vector &x, Vector &ClosestPoint) const;
36 bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
37 bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
38 bool ContainsBoundaryPoint(const TesselPoint * const point) const;
39 class BoundaryPointSet *GetThirdEndpoint(const BoundaryLineSet * const line) const;
40 class BoundaryLineSet *GetThirdLine(const BoundaryPointSet * const point) const;
41 bool IsPresentTupel(const BoundaryPointSet * const Points[3]) const;
42 bool IsPresentTupel(const BoundaryTriangleSet * const T) const;
43
44 Plane getPlane() const;
45 Vector getEndpoint(int) const;
46 std::string getEndpointName(int) const;
47
48 class BoundaryPointSet *endpoints[3];
49 class BoundaryLineSet *lines[3];
50 Vector NormalVector;
51 Vector SphereCenter;
52 int Nr;
53
54 private:
55
56};
57
58std::ostream & operator << (std::ostream &ost, const BoundaryTriangleSet &a);
59
60
61#endif /* BOUNDARYTRIANGLESET_HPP_ */
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