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
v1.0.4
|
Last change
on this file since 6c438f was 6c438f, checked in by Frederik Heber <heber@…>, 14 years ago |
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Merge branch 'StructureRefactoring' into Shapes
Conflicts:
src/Box.cpp
src/Box.hpp
src/Descriptors/AtomShapeDescriptor.cpp
src/Descriptors/AtomShapeDescriptor.hpp
src/Descriptors/AtomShapeDescriptor_impl.hpp
src/LinearAlgebra/Line.cpp
src/LinearAlgebra/Line.hpp
src/LinearAlgebra/Matrix.cpp
src/LinearAlgebra/Matrix.hpp
src/Makefile.am
src/Shapes/BaseShapes.cpp
src/Shapes/BaseShapes_impl.hpp
src/Shapes/Shape.cpp
src/Shapes/Shape.hpp
src/Shapes/ShapeOps_impl.hpp
src/Shapes/Shape_impl.hpp
src/unittests/ShapeUnittest.cpp
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-
Property mode
set to
100644
|
|
File size:
1.1 KB
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| 1 | /*
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| 2 | * Shape.hpp
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| 3 | *
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| 4 | * Created on: Jun 18, 2010
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| 5 | * Author: crueger
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| 6 | */
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| 7 |
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| 8 | #ifndef SHAPE_HPP_
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| 9 | #define SHAPE_HPP_
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| 10 |
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| 11 | #include <boost/shared_ptr.hpp>
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| 12 | #include <iosfwd>
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| 13 |
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| 14 | #include "Exceptions/NotOnSurfaceException.hpp"
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| 15 |
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| 16 | #include <vector>
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| 17 |
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| 18 | class Vector;
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| 19 | class Shape_impl;
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| 20 | class LineSegmentSet;
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| 21 | class Line;
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| 22 |
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| 23 | class Shape
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| 24 | {
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| 25 | public:
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| 26 | typedef boost::shared_ptr<Shape_impl> impl_ptr;
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| 27 | friend impl_ptr getShapeImpl(const Shape&);
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| 28 |
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| 29 | Shape(impl_ptr);
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| 30 | Shape(const Shape&);
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| 31 | virtual ~Shape();
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| 32 |
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| 33 | bool isInside(const Vector &point) const;
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| 34 | bool isOnSurface(const Vector &point) const;
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| 35 | Vector getNormal(const Vector &point) const throw(NotOnSurfaceException);
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| 36 |
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| 37 | LineSegmentSet getLineIntersections(const Line&);
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| 38 | std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
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| 39 |
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| 40 | Shape &operator=(const Shape& rhs);
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| 41 |
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| 42 | std::string toString() const;
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| 43 | protected:
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| 44 | impl_ptr getImpl() const;
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| 45 |
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| 46 | private:
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| 47 | impl_ptr impl;
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| 48 | };
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| 49 |
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| 50 | Shape Everywhere();
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| 51 | Shape Nowhere();
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| 52 |
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| 53 | Shape operator&&(const Shape&,const Shape&);
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| 54 | Shape operator||(const Shape&,const Shape&);
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| 55 | Shape operator!(const Shape&);
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| 56 |
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| 57 | std::ostream &operator<<(std::ostream&,const Shape&);
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| 58 |
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| 59 | #endif /* SHAPE_HPP_ */
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