Action_Thermostats
        Adding_MD_integration_tests
        Adding_StructOpt_integration_tests
        AutomationFragmentation_failures
        Candidate_v1.6.1
        Candidate_v1.7.0
        ChemicalSpaceEvaluator
        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Exclude_Hydrogens_annealWithBondGraph
        Fix_Verbose_Codepatterns
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_continued
        ForceAnnealing_with_BondGraph_continued_betteresults
        ForceAnnealing_with_BondGraph_contraction-expansion
        Gui_displays_atomic_force_velocity
        JobMarket_RobustOnKillsSegFaults
        JobMarket_StableWorkerPool
        PythonUI_with_named_parameters
        Recreated_GuiChecks
        StoppableMakroAction
        TremoloParser_IncreasedPrecision
        stable
      
      
      
| Line |  | 
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| 1 | /* | 
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| 2 | * FragmentEdge.hpp | 
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| 3 | * | 
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| 4 | *  Created on: Sep 24, 2012 | 
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| 5 | *      Author: heber | 
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| 6 | */ | 
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| 7 |  | 
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| 8 | #ifndef FRAGMENTEDGE_HPP_ | 
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| 9 | #define FRAGMENTEDGE_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 | #include <boost/serialization/export.hpp> | 
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| 17 | #include <boost/serialization/utility.hpp> | 
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| 18 |  | 
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| 19 | #include <iosfwd> | 
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| 20 | #include <utility> | 
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| 21 |  | 
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| 22 | class FragmentEdge | 
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| 23 | { | 
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| 24 | //!> grant output operator access to internals | 
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| 25 | friend std::ostream& operator<<(std::ostream &out, const FragmentEdge &node); | 
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| 26 | public: | 
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| 27 | typedef std::pair<size_t, size_t> AtomicNumberPair_t; | 
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| 28 |  | 
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| 29 | FragmentEdge(); | 
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| 30 | FragmentEdge(const AtomicNumberPair_t &_pair); | 
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| 31 | FragmentEdge(const size_t _left, const size_t _right); | 
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| 32 | ~FragmentEdge() | 
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| 33 | {} | 
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| 34 |  | 
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| 35 | FragmentEdge& operator=(const FragmentEdge &edge); | 
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| 36 |  | 
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| 37 | bool operator<(const FragmentEdge &edge) const; | 
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| 38 | bool operator>(const FragmentEdge &edge) const; | 
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| 39 | bool operator==(const FragmentEdge &edge) const; | 
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| 40 | bool operator!=(const FragmentEdge &edge) const { | 
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| 41 | return (!(*this == edge)); | 
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| 42 | } | 
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| 43 |  | 
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| 44 | private: | 
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| 45 | //!> stores the atomic number of either FragmentNode making up the edge | 
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| 46 | const AtomicNumberPair_t AtomicNumberPair; | 
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| 47 |  | 
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| 48 | private: | 
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| 49 | friend class boost::serialization::access; | 
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| 50 | // serialization | 
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| 51 | template <typename Archive> | 
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| 52 | void serialize(Archive& ar, const unsigned int version) | 
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| 53 | { | 
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| 54 | ar & const_cast<AtomicNumberPair_t &>(AtomicNumberPair); | 
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| 55 | } | 
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| 56 | }; | 
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| 57 |  | 
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| 58 | // we need to give this class a unique key for serialization | 
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| 59 | BOOST_CLASS_EXPORT_KEY(FragmentEdge) | 
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| 60 |  | 
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| 61 | std::ostream& operator<<(std::ostream &out, const FragmentEdge &node); | 
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| 62 |  | 
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| 63 | #endif /* FRAGMENTEDGE_HPP_ */ | 
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