Action_Thermostats
        Add_AtomRandomPerturbation
        Add_SelectAtomByNameAction
        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
        Adding_StructOpt_integration_tests
        AutomationFragmentation_failures
        Candidate_v1.6.1
        Candidate_v1.7.0
        ChangeBugEmailaddress
        ChemicalSpaceEvaluator
        EmpiricalPotential_contain_HomologyGraph_documentation
        Enhance_userguide
        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Example_ManyWaysToTranslateAtom
        Exclude_Hydrogens_annealWithBondGraph
        Fix_Verbose_Codepatterns
        ForceAnnealing_oldresults
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_continued
        ForceAnnealing_with_BondGraph_continued_betteresults
        ForceAnnealing_with_BondGraph_contraction-expansion
        GeometryObjects
        Gui_displays_atomic_force_velocity
        IndependentFragmentGrids_IntegrationTest
        JobMarket_RobustOnKillsSegFaults
        JobMarket_StableWorkerPool
        PythonUI_with_named_parameters
        QtGui_reactivate_TimeChanged_changes
        Recreated_GuiChecks
        StoppableMakroAction
        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        stable
      
      
      
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| 1 | /* | 
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| 2 | * GeometryObject.hpp | 
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| 3 | * | 
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| 4 | *  Created on: Mar 25, 2017 | 
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| 5 | *      Author: heber | 
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| 6 | */ | 
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| 7 |  | 
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| 8 |  | 
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| 9 | #ifndef GEOMETRY_GEOMETRYOBJECT_HPP_ | 
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| 10 | #define GEOMETRY_GEOMETRYOBJECT_HPP_ | 
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| 11 |  | 
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| 12 | // include config.h | 
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| 13 | #ifdef HAVE_CONFIG_H | 
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| 14 | #include <config.h> | 
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| 15 | #endif | 
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| 16 |  | 
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| 17 | #include <iosfwd> | 
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| 18 | #include <string> | 
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| 19 |  | 
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| 20 | #include "LinearAlgebra/Vector.hpp" | 
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| 21 |  | 
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| 22 | /** This class encapsulates the Vector for use in the storage. | 
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| 23 | * | 
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| 24 | * We need to add a name to the Vector, hence we store it directly | 
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| 25 | * more generally as a GeometryObject (if later other objects such | 
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| 26 | * as lines, planes need to be added). | 
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| 27 | */ | 
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| 28 | class GeometryObject | 
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| 29 | { | 
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| 30 | public: | 
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| 31 | /** Cstor for the GeometryObject. | 
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| 32 | * | 
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| 33 | * \param _v vector to use | 
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| 34 | * \param _name name to set | 
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| 35 | */ | 
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| 36 | GeometryObject(const Vector &_v, const std::string &_name) : | 
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| 37 | name(_name), | 
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| 38 | v(_v) | 
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| 39 | {} | 
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| 40 |  | 
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| 41 | /** Getter for the object. | 
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| 42 | * | 
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| 43 | * \return vector v | 
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| 44 | */ | 
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| 45 | Vector getVector() const | 
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| 46 | { return v; } | 
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| 47 |  | 
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| 48 | /** Setter for the name of the object. | 
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| 49 | * | 
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| 50 | * \param _name | 
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| 51 | */ | 
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| 52 | void setName(const std::string &_name) | 
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| 53 | { name = _name; } | 
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| 54 |  | 
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| 55 | /** Getter for the name of the object. | 
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| 56 | * | 
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| 57 | * \return name | 
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| 58 | */ | 
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| 59 | const std::string& getName() const | 
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| 60 | { return name; } | 
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| 61 |  | 
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| 62 | private: | 
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| 63 | //!> name of object | 
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| 64 | std::string name; | 
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| 65 | //!> contained geometry, namely a vector | 
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| 66 | Vector v; | 
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| 67 | }; | 
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| 68 |  | 
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| 69 | std::ostream& operator<<(std::ostream &, const GeometryObject &_vec); | 
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| 70 |  | 
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| 71 | #endif /* GEOMETRY_GEOMETRYOBJECT_HPP_ */ | 
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