InterlockAroma.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:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.
//
/// @file protocols/flxbb/InterlockAroma.hh
/// @brief perform cycles of design and relax with filter
/// @author Nobuyasu Koga ( nobuyasu@uw.edu )

#ifndef INCLUDED_protocols_flxbb_InterlockAroma_hh
#define INCLUDED_protocols_flxbb_InterlockAroma_hh

// Unitt Header
#include <protocols/flxbb/InterlockAroma.fwd.hh>

// Project Headers
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

#include <protocols/moves/Mover.hh>
#include <utility/tag/Tag.fwd.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace flxbb{


///////////////////////////////////////////////////////////////////////////////////////////////////////
class InterlockAroma: public protocols::moves::Mover {
public:


  typedef protocols::moves::Mover Super;

  typedef std::string String;
  typedef core::Size Size;
  typedef core::Real Real;
  typedef core::pose::Pose Pose;
  typedef core::scoring::ScoreFunction ScoreFunction;
  typedef core::scoring::ScoreFunctionOP ScoreFunctionOP;
  typedef protocols::moves::MoverOP MoverOP;

  typedef utility::tag::TagPtr TagPtr;
  typedef protocols::filters::Filters_map Filters_map;
  typedef protocols::moves::DataMap DataMap;
  typedef protocols::moves::Movers_map Movers_map;


public: // constructor/destructor


  /// @brief default constructor
  InterlockAroma();

  /// @brief copy constructor
  InterlockAroma( InterlockAroma const & rval );

  /// @brief destructor
  virtual ~InterlockAroma();


public: // virtual constructors


  /// @brief clone this object
  virtual
  MoverOP clone() const;


  /// @brief create this type of object
  virtual
  MoverOP fresh_instance() const;


public: // virtual main operation


  /// @brief mover apply
  virtual void apply( Pose & pose );

  virtual std::string get_name() const;


public:// parser


  virtual void parse_my_tag( TagPtr const tag,
                             DataMap & data,
                             Filters_map const &,
                             Movers_map const &,
                             Pose const & );


private:


  /// @brief score function
  ScoreFunctionOP scorefxn_;

  /// @brief input secondary structure information
  String input_ss_;

  /// @brief
  Real max_repulsion_energy_;

  /// @brief
  Real min_env_energy_;

  // @brief Exclude aromatic chi2 rotamers, of which angles are around 0
  bool limit_aroma_chi2_;

  // @brief
  bool output_pdbs_;

  // @brief
  bool verbose_;


};


} // namespace flxbb
} // namespace protocols

#endif