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LREnergyContainer.hh
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3 //
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9 
10 /// @file core/scoring/LongRangeEnergyContainer.hh
11 /// @brief A container interface for storing and scoring long range energies
12 /// @author Andrew Leaver-Fay
13 
14 #ifndef INCLUDED_core_scoring_LREnergyContainer_hh
15 #define INCLUDED_core_scoring_LREnergyContainer_hh
16 
17 // Unit headers
18 #include <core/scoring/LREnergyContainer.fwd.hh>
19 
20 // Package headers
21 #include <core/scoring/EnergyMap.fwd.hh>
22 
23 // Utility headers
24 #include <utility/pointer/ReferenceCount.hh>
25 
26 namespace core {
27 namespace scoring {
28 
29 class ResidueNeighborIterator : public utility::pointer::ReferenceCount
30 {
31 public:
32  virtual ~ResidueNeighborIterator();
33 
34  virtual ResidueNeighborIterator const & operator = ( ResidueNeighborIterator const & ) = 0;
35  virtual ResidueNeighborIterator const & operator ++ () = 0;
36  virtual bool operator == ( ResidueNeighborIterator const & ) const = 0;
37  virtual bool operator != ( ResidueNeighborIterator const & ) const = 0;
38 
39  virtual Size upper_neighbor_id() const = 0;
40  virtual Size lower_neighbor_id() const = 0;
41 
42  virtual Size residue_iterated_on() const = 0;
43  virtual Size neighbor_id() const = 0;
44 
45  virtual void save_energy( EnergyMap const & ) = 0;
46 
47  virtual void retrieve_energy( EnergyMap & ) const = 0;
48  virtual void accumulate_energy( EnergyMap & ) const= 0;
49 
50  virtual void mark_energy_computed() = 0;
51  virtual void mark_energy_uncomputed() = 0;
52 
53  virtual bool energy_computed() const = 0;
54 };
55 
56 class ResidueNeighborConstIterator : public utility::pointer::ReferenceCount
57 {
58 public:
59  virtual ~ResidueNeighborConstIterator();
60 
61  virtual ResidueNeighborConstIterator const & operator = ( ResidueNeighborConstIterator const & ) = 0;
62  virtual ResidueNeighborConstIterator const & operator ++ () = 0;
63  virtual bool operator == ( ResidueNeighborConstIterator const & ) const = 0;
64  virtual bool operator != ( ResidueNeighborConstIterator const & ) const = 0;
65 
66  virtual Size upper_neighbor_id() const = 0;
67  virtual Size lower_neighbor_id() const = 0;
68 
69  virtual Size residue_iterated_on() const = 0;
70  virtual Size neighbor_id() const = 0;
71 
72  virtual void retrieve_energy( EnergyMap & ) const = 0;
73  virtual void accumulate_energy( EnergyMap & ) const= 0;
74 
75  virtual bool energy_computed() const = 0;
76 
77 };
78 
79 class LREnergyContainer : public utility::pointer::ReferenceCount
80 {
81 public:
82  virtual
83  ~LREnergyContainer();
84 
85  virtual
86  LREnergyContainerOP clone() const = 0;
87 
88  virtual
89  bool empty() const = 0;
90 
91  virtual
92  void
93  set_num_nodes( Size ) { }
94 
95  virtual
96  ResidueNeighborConstIteratorOP
97  const_neighbor_iterator_begin( int resid ) const = 0;
98 
99  virtual
100  ResidueNeighborConstIteratorOP
101  const_neighbor_iterator_end( int resid ) const = 0;
102 
103  virtual
104  ResidueNeighborConstIteratorOP
105  const_upper_neighbor_iterator_begin( int resid ) const = 0;
106 
107  virtual
108  ResidueNeighborConstIteratorOP
109  const_upper_neighbor_iterator_end( int resid ) const = 0;
110 
111  virtual
112  ResidueNeighborIteratorOP
113  neighbor_iterator_begin( int resid ) = 0;
114 
115  virtual
116  ResidueNeighborIteratorOP
117  neighbor_iterator_end( int resid ) = 0;
118 
119  virtual
120  ResidueNeighborIteratorOP
121  upper_neighbor_iterator_begin( int resid ) = 0;
122 
123  virtual
124  ResidueNeighborIteratorOP
125  upper_neighbor_iterator_end( int resid ) = 0;
126 
127 };
128 
129 } // namespace scoring
130 } // namespace core
131 
132 #endif
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