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 72d108 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
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1 | /*
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2 | * BoundaryTriangleSet.hpp
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3 | *
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4 | * Created on: Jul 29, 2010
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef BOUNDARYTRIANGLESET_HPP_
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9 | #define BOUNDARYTRIANGLESET_HPP_
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10 |
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11 | // include config.h
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12 | #ifdef HAVE_CONFIG_H
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13 | #include <config.h>
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14 | #endif
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15 |
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16 |
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17 | #include "BoundaryMaps.hpp"
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18 | #include "LinearAlgebra/Vector.hpp"
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19 |
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20 | class BoundaryLineSet;
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21 | class BoundaryPointSet;
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22 | class BoundaryTriangleSet;
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23 | class Plane;
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24 | class TesselPoint;
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25 |
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26 | class BoundaryTriangleSet {
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27 | public:
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28 | BoundaryTriangleSet();
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29 | BoundaryTriangleSet(class BoundaryLineSet * const line[3], const int number);
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30 | ~BoundaryTriangleSet();
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31 |
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32 | void GetNormalVector(const Vector &NormalVector);
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33 | void GetCenter(Vector ¢er) const;
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34 | bool GetIntersectionInsideTriangle(const Vector & MolCenter, const Vector &x, Vector &Intersection) const;
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35 | double GetClosestPointInsideTriangle(const Vector &x, Vector &ClosestPoint) const;
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36 | bool ContainsBoundaryLine(const BoundaryLineSet * const line) const;
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37 | bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
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38 | bool ContainsBoundaryPoint(const TesselPoint * const point) const;
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39 | class BoundaryPointSet *GetThirdEndpoint(const BoundaryLineSet * const line) const;
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40 | class BoundaryLineSet *GetThirdLine(const BoundaryPointSet * const point) const;
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41 | bool IsPresentTupel(const BoundaryPointSet * const Points[3]) const;
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42 | bool IsPresentTupel(const BoundaryTriangleSet * const T) const;
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43 |
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44 | Plane getPlane() const;
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45 | Vector getEndpoint(int) const;
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46 | std::string getEndpointName(int) const;
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47 |
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48 | class BoundaryPointSet *endpoints[3];
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49 | class BoundaryLineSet *lines[3];
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50 | Vector NormalVector;
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51 | Vector SphereCenter;
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52 | int Nr;
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53 |
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54 | private:
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55 |
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56 | };
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57 |
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58 | std::ostream & operator << (std::ostream &ost, const BoundaryTriangleSet &a);
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59 |
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60 |
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61 | #endif /* BOUNDARYTRIANGLESET_HPP_ */
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