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
        Candidate_v1.7.0
        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
      
      
      
| Line |   | 
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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 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 <boost/shared_ptr.hpp>
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| 18 | #include <iosfwd>
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| 19 | 
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| 20 | #include "Shapes/ShapeExceptions.hpp"
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| 21 | #include "Shapes/ShapeType.hpp"
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| 22 | 
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| 23 | #include <vector>
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| 24 | 
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| 25 | class Vector;
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| 26 | class Shape_impl;
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| 27 | class LineSegmentSet;
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| 28 | class Line;
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| 29 | 
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| 30 | class Shape
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| 31 | {
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| 32 | public:
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| 33 |   typedef boost::shared_ptr<Shape_impl> impl_ptr;
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| 34 |   friend impl_ptr getShapeImpl(const Shape&);
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| 35 | 
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| 36 |   Shape(impl_ptr);
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| 37 |   Shape(const Shape&);
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| 38 |   virtual ~Shape();
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| 39 | 
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| 40 |   bool isInside(const Vector &point) const;
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| 41 |   bool isOnSurface(const Vector &point) const;
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| 42 |   Vector getNormal(const Vector &point) const throw(NotOnSurfaceException);
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| 43 | 
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| 44 |   Vector getCenter() const;
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| 45 |   double getRadius() const;
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| 46 |   double getVolume() const;
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| 47 |   double getSurfaceArea() const;
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| 48 | 
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| 49 |   LineSegmentSet getLineIntersections(const Line&) const;
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| 50 |   std::vector<Vector> getHomogeneousPointsOnSurface(const size_t N) const;
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| 51 |   std::vector<Vector> getHomogeneousPointsInVolume(const size_t N) const;
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| 52 | 
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| 53 |   Shape &operator=(const Shape& rhs);
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| 54 | 
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| 55 |   bool operator==(const Shape &rhs) const;
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| 56 | 
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| 57 |   std::string toString() const;
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| 58 |   enum ShapeType getType() const;
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| 59 | 
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| 60 |   void setName(const std::string &_name);
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| 61 |   std::string getName() const;
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| 62 | 
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| 63 | protected:
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| 64 |   impl_ptr getImpl() const;
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| 65 | 
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| 66 | private:
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| 67 |   impl_ptr impl;
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| 68 |   std::string name;
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| 69 | };
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| 70 | 
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| 71 | Shape Everywhere();
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| 72 | Shape Nowhere();
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| 73 | 
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| 74 | Shape operator&&(const Shape&,const Shape&);
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| 75 | Shape operator||(const Shape&,const Shape&);
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| 76 | Shape operator!(const Shape&);
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| 77 | 
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| 78 | std::ostream &operator<<(std::ostream&,const Shape&);
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| 79 | 
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| 80 | #endif /* SHAPE_HPP_ */
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