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AmbigCSScore.hh
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9 
10 /// @file protocols/frag_picker/scores/AmbigCSScore.hh
11 /// @brief Object that scores a fragment by its crmsd to the native
12 /// @author Robert Vernon
13 
14 #ifndef INCLUDED_protocols_frag_picker_scores_AmbigCSScore_hh
15 #define INCLUDED_protocols_frag_picker_scores_AmbigCSScore_hh
16 
17 // package headers
20 // AUTO-REMOVED #include <protocols/frag_picker/CS2ndShift.hh>
21 
24 
25 #include <utility/io/ozstream.hh>
26 
27 // mini
28 #include <core/types.hh>
29 
30 #include <utility/vector1.hh>
31 
32 
33 
34 namespace protocols {
35 namespace frag_picker {
36 namespace scores {
37 
39 
40  //typedef utility::vector1<utility::vector1<std::pair<Real,Real> > > Score_Matrix;
41 
42 /// @brief scores a fragment by the root mean square deviation of Phi and Psi angles.
44 public:
45 
46  /// @brief creates a Phi-Psi-based scoring function.
47  /// @detailed Phi-Psi angles from a fragment will be compared to relevant angles in a given pose, which should have the same number of residues a the query sequence
48 
50  void do_caching(VallChunkOP);
51  void clean_up();
54 
55  /// @brief Print debugging informations about a score for a given fragment
56  //bool describe_score(FragmentCandidateOP, FragmentScoreMapOP, std::ostream&);
57 
58 private:
59 
60  utility::io::ozstream outfile_;
61 
62  //Shift Data. Should be one vector per residue, and residues without shift data should
63  //have empty vectors.
66 
68 
70 
72  void read_talos_phi_psi(std::string const&);
73 }; // AmbigCSScore
74 
75 /// @brief Maker class that produces a new AmbigCSScore object
77 public:
78 
80  MakeFragmentScoringMethod("AmbigCSScore") {
81  }
82 
84 };
85 
86 } // scores
87 } // frag_picker
88 } // protocols
89 
90 #endif // INCLUDED_protocols_frag_picker_scores_AmbigCSScore_HH