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IterativeCentroid.hh
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1 // -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
2 // vi: set ts=2 noet:
3 //
4 // This file is part of the Rosetta software suite and is made available under license.
5 // The Rosetta software is developed by the contributing members of the Rosetta Commons consortium.
6 // (C) 199x-2009 Rosetta Commons participating institutions and developers.
7 // For more information, see http://www.rosettacommons.org/.
8 
9 /// @file AbrelaxMover
10 /// @brief this class will be handled to a SampleProtocol as a control instance
11 /// @detailed responsibilities:
12 /// know which chainbreaks to penalize and close
13 /// know which jumps to use during sampling, which (if any) to keep after loop-closing
14 /// supply a JumpMover if jumps should be moved
15 /// supply a MoveMap
16 /// supply a "StrictMoveMap": the protocol should not move anything that is dissallowed in strict_movemap(),
17 /// it should try to move just stuff in movemap()
18 /// should this class also know how to ramp score terms ?
19 /// handle the titration of constraints ?
20 /// @author Oliver Lange
21 
22 
23 #ifndef INCLUDED_protocols_abinitio_IterativeCentroid_hh
24 #define INCLUDED_protocols_abinitio_IterativeCentroid_hh
25 
26 // Unit Headers
27 //#include <protocols/abinitio/IterativeCentroid.fwd.hh>
28 
29 // Package Headers
30 //#include <protocols/jd2/archive/ArchiveBase.hh>
31 //#include <protocols/jd2/archive/EvaluatedArchive.hh>
34 
35 // Project Headers
36 // AUTO-REMOVED #include <protocols/abinitio/PairingStatistics.hh>
37 
38 //#include <core/types.hh>
39 // AUTO-REMOVED #include <core/pose/Pose.hh> // Needed so PyRosetta can generate copy constructor
40 
41 //#include <protocols/loops/Loops.hh>
43 
44 // ObjexxFCL Headers
45 //#include <ObjexxFCL/FArray1D.hh>
46 //#include <ObjexxFCL/FArray2D.hh>
47 
48 // Utility headers
49 // AUTO-REMOVED #include <utility/vector1.hh>
50 //#include <utility/pointer/ReferenceCount.hh>
51 
52 //// C++ headers
53 //#include <cstdlib>
54 //#include <string>
55 
56 #include <utility/vector1.hh>
57 
58 //Auto Headers
59 //#include <core/scoring/constraints/Constraint.hh>
60 
61 
62 namespace protocols {
63 namespace abinitio {
64 
67 public:
68  IterativeCentroid(IterativeFullatom* fullatom_pool_ptr ) :
69  IterativeBase( "centroid_pool" ),
70  fullatom_pool_ptr_( fullatom_pool_ptr ) {};
71 
72  virtual void gen_diversity_pool( jd2::archive::Batch& batch, bool fullatom = false );
73 
74  virtual void update_noesy_filter_files(
75  std::string const& current,
76  bool fullatom
77  );
78 private:
80 };
81 
82 
83 
84 }
85 }
86 
87 #endif