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StrandConstraints.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 // (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 /// @author Oliver Lange
11 
12 #ifndef INCLUDED_protocols_abinitio_StrandConstraints_hh
13 #define INCLUDED_protocols_abinitio_StrandConstraints_hh
14 
15 // Unit Headers
16 //#include <protocols/abinitio/StrandConstraints.fwd.hh>
17 
18 
19 // Package Headers
21 
22 //#include <protocols/abinitio/Templates.hh>
23 //#include <protocols/abinitio/Template.hh>
24 //#include <protocols/abinitio/TemplateJumpSetup.fwd.hh>
25 
26 // Project Headers
27 #include <core/pose/Pose.fwd.hh>
28 #include <core/types.hh>
30 
31 //#include <core/scoring/constraints/AtomPairConstraint.fwd.hh>
32 //#include <core/scoring/constraints/ConstraintSet.fwd.hh>
33 
35 //#include <core/fragment/SecondaryStructure.fwd.hh>
37 
38 
39 // ObjexxFCL Headers
40 
41 // Utility headers
42 #include <utility/pointer/ReferenceCount.hh>
43 #include <utility/exit.hh>
44 
45 
46 //// C++ headers
47 // AUTO-REMOVED #include <cstdlib>
48 #include <string>
49 // AUTO-REMOVED #include <vector>
50 #include <map>
51 
52 #include <utility/vector1.hh>
53 
54 
55 namespace protocols {
56 namespace abinitio {
57 
59 public:
60  // AlternativePairings();
61  bool compatible( core::scoring::dssp::StrandPairing const& pairing ) const;
62  bool antiparallel() const { return anti_; };
63  // bool add_pairing( core::scoring::dssp::StrandPairing const&, std::string model = "NO_MODEL" );
64  bool add_pairing( PairingStatEntry const& );
65  void show( std::ostream& ) const;
66 
67  //@brief make constraints for the alternative registers of this strand
68  //pose only for reference, constraints are added to cst object
70 
71 private:
74  bool anti_;
75 };
76 
79 
80 public:
81  ///@brief Automatically generated virtual destructor for class deriving directly from ReferenceCount
82  virtual ~StrandConstraints();
83  StrandConstraints( PairingStatistics const& strand_stats_ );
84  void add_pairing( core::scoring::dssp::StrandPairing const&, std::string model = "NO_MODEL" );
85  void add_pairing( PairingStatEntry const& );
86 
87  //const pose: no constraints are added
89 
90  void show( std::ostream& ) const;
91 private:
93 };
94 
95 std::ostream& operator<< ( std::ostream& out, StrandConstraints const& st );
96 std::ostream& operator<< ( std::ostream& out, AlternativePairings const& alt_pairs );
97 
98 
99 }
100 }
101 
102 #endif