MonteCarloTest.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 src/protocols/simple_moves/MonteCarloTest.hh
/// @brief perform a given mover and sample structures by MonteCarlo
/// @detailed The "score" evaluation of pose during MC after applying mover is done by
/// ither FilterOP that can do report_sm() or ScoreFunctionOP you gave.
/// By setting sample_type_ to high, you can also sample the pose that have higher score.
/// @author Nobuyasu Koga ( nobuyasu@uw.edu )

#ifndef INCLUDED_protocols_simple_moves_MonteCarloTest_hh
#define INCLUDED_protocols_simple_moves_MonteCarloTest_hh

// Unit Headers
#include <protocols/simple_moves/MonteCarloTest.fwd.hh>
#include <protocols/simple_moves/GenericMonteCarloMover.fwd.hh>

// Project Headers
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <protocols/filters/Filter.fwd.hh>
#include <protocols/moves/Mover.hh>

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

// Parser headers
#include <protocols/moves/DataMap.fwd.hh>
#include <utility/tag/Tag.fwd.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace simple_moves {

class MonteCarloTest : public protocols::moves::Mover {
public:

  typedef core::Size Size;
  typedef core::Real Real;
  typedef core::pose::Pose Pose;
  typedef core::pose::PoseOP PoseOP;

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


public: // constructor/destructor

  /// @brief default constructor
  MonteCarloTest();

  /// @brief destructor
  ~MonteCarloTest();

  /// @brief create copy constructor
  virtual MoverOP clone() const;

  /// @brief create this type of objectt
  virtual MoverOP fresh_instance() const;
  std::string get_name() const;


  /// @brief apply MonteCarloTest (Mover)
  virtual void apply( Pose & pose );
  /// @brief set mover
  void set_MC( GenericMonteCarloMoverOP mover );
  GenericMonteCarloMoverOP get_MC() const;
  // Undefinede, commenting out to fix PyRosetta build  void recover( Pose & pose );


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

//  bool recover_low() const;
//  void recover_low( bool const recover );

private: // data
//  bool recover_low_; //dflt true; if false, recovers last

  /// @brief mover
  GenericMonteCarloMoverOP MC_mover_;
};

} // namespace simple_moves
} // namespace protocols

#endif