SheetFoldTypeManager.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// This file is part of the Rosetta software suite and is made available under license.
// The Rosetta software is developed by the contributing members of the Rosetta Commons consortium.
// Copyright in the Rosetta software belongs to the developers and their institutions.
// For more information, see www.rosettacommons.org.

/// @file ./src/protocols/fldsgn/SheetFoldTypeManager.hh
/// @brief
/// @author Nobuyasu Koga ( nobuyasu@u.washington.edu )

// unit headers

#ifndef INCLUDED_protocols_fldsgn_topology_SheetFoldTypeManager_hh
#define INCLUDED_protocols_fldsgn_topology_SheetFoldTypeManager_hh

// project headers
// AUTO-REMOVED #include <core/types.hh>

// utility headers
// AUTO-REMOVED #include <utility/vector1.hh>

// C++ headers
#include <iostream>
#include <map>
// AUTO-REMOVED #include <string>

#include <utility/vector1_bool.hh>


namespace protocols {
namespace fldsgn {
namespace topology {

/// @brief List of topologies determined by strand pairings
enum SheetFoldType {

  // 2strands
  BABx1 = 1,  // beta-aplpha-beta motif

  /// 3strands
  //  parallel
  RosI,
  RosO,
  BABx2,  // repeat beta-aplpha-beta motif twice

  // mixture
  Thio,   // part of structure of thioredoxin-fold
  BFr,
  EFr,

  // anti-parallel
  CFr,
  DFr,

  /// 4strands
  // parallel
  Rsmn2x2, /// rossmann2x2
  Rsmn3x3_Half, /// Half structure of Rossmann3x3
  BABx3,  // repeat beta-aplpha-beta motif 3 times

  // mixture
  PG_like,
  Thioredoxin,
  //L30E_like,
  BAB_CFr,
  DFr_BAB,
  BEFr,

  // anti-parallel
  Fd_like, /// ferredoxin-like
  RFd_like, /// reverse ferredoxin-like
  CDFr,
  HPN_CFr,
  DFr_HPN,

  /// 5strands
  // parallel
  Flavodoxin,
  Ploop2x3,

  /// mixture
  RNAseH,

  // anti-parallel
  Top7,

  /// 6 strands
  Rsmn3x3,
  Ploop3x3,

  ///
  UNFOLD,

  ///
  NO_STRANDS,

  ///
  UNKNOWN,

  n_fold_types = UNKNOWN

};

////////////////////////////////////////////////////////////////////////////////////////////////////////////
class SheetFoldTypeManager {
public:


  typedef std::string String;


public:

  SheetFoldTypeManager();


public:

  SheetFoldType
  foldtype_from_name( std::string const & name );


  std::string
  name_from_foldtype( SheetFoldType score_type );


  bool
  is_foldtype( std::string const & name );


  SheetFoldType
  foldtype_from_spairs( std::string const & spairs );


  std::string
  spairs_from_foldtype( SheetFoldType foldtype );


  bool
  is_sparis_foldtype( std::string const & spairs );

private:

  /// @brief
  void initialize();


  /// @brief initialize the SheetFoldType name vector and map
  void setup_foldtype_names();


/// @brief initialize the map of strand pairings and SheetFoldType
  void setup_foldtype_strand_pairings();


private:

  bool initialized_;

  std::map< String, SheetFoldType > name2foldtype_;
  utility::vector1< String > foldtype2name_;

  std::map< String, SheetFoldType > spairs2foldtype_;
  utility::vector1< String > foldtype2spairs_;

};


} // namespace topology
} // namespace fldsgn
} // namespace protocols


#endif