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DensityScoringClaimer.hh
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2 // vi: set ts=2 noet:
3 //
4 // (c) Copyright Rosetta Commons Member Institutions.
5 // (c) This file is part of the Rosetta software suite and is made available under license.
6 // (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
7 // (c) For more information, see http://www.rosettacommons.org. Questions about this can be
8 // (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.
9 
10 /// @file TopologyBroker
11 /// @brief top-class (Organizer) of the TopologyBroker mechanism
12 /// @detailed responsibilities:
13 /// @author Oliver Lange
14 
15 
16 #ifndef INCLUDED_protocols_topology_broker_DensityScoringClaimer_hh
17 #define INCLUDED_protocols_topology_broker_DensityScoringClaimer_hh
18 
19 
20 // Unit Headers
22 
23 // Package Headers
27 
28 // AUTO-REMOVED #include <protocols/jumping/ResiduePairJumpSetup.hh>
29 
30 // Project Headers
31 #include <core/pose/Pose.fwd.hh>
33 //#include <core/fragment/FragSet.hh>
34 //
35 
36 // ObjexxFCL Headers
37 
38 // Utility headers
39 //#include <utility/io/izstream.hh>
40 //#include <utility/io/ozstream.hh>
41 //#include <utility/io/util.hh>
42 //#include <basic/Tracer.hh>
43 //#include <basic/options/option.hh>
44 
45 //#include <basic/options/option_macros.hh>
46 
47 //// C++ headers
48 //#include <fstream>
49 // AUTO-REMOVED #include <istream>
50 #include <string>
51 
52 #include <core/kinematics/Jump.hh>
53 #include <utility/vector1.hh>
54 
55 
56 // option key includes
57 
58 
59 namespace protocols {
60 namespace topology_broker {
61 
63 public:
64  DensityScoringClaimer(); //for factory
65 
66  virtual TopologyClaimerOP clone() const;
67 
68  ///mainly calls parent function... but is also used to figure out what residue number we are jumping to.
69  virtual void initialize_residues( core::pose::Pose&, SequenceClaimOP init_claim, DofClaims& failed_to_init );
70 
72 
73  virtual void initialize_dofs( core::pose::Pose& pose, DofClaims const& /*init_claims*/, DofClaims& failed_to_init ) {
74  DofClaims my_failures;
75  SequenceClaimer::initialize_dofs( pose, my_failures, failed_to_init );
76  };
77 
78  ///@brief type() is specifying the output name of the TopologyClaimer
79  virtual std::string type() const {
80  return _static_type_name();
81  }
82 
84  return "DensityScoringClaimer";
85  }
86 
87  virtual void add_constraints( core::pose::Pose& /*pose*/ ) const;
88 
89  virtual bool accept_declined_claim( DofClaim const& was_declined );
90 protected:
91 
92  virtual void set_defaults();
93  virtual bool read_tag( std::string tag, std::istream& );
94  virtual void init_after_reading();
95 
96 private:
97  core::Size anchor_residue_; // where does the VRT jump to
98  std::string anchor_chain_; // a SequenceLabel << fpd ... is this used??
99 
100  core::Size resolved_anchor_residue_; // residue number of anchor in final pose
101  core::Size vrt_id_; // residue number of VRT in final pose
102 }; //class MetalloClaimer
103 
104 }
105 }
106 
107 #endif