BackrubDDMover.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/protein_interface_design/movers/BackrubDDMover.hh
/// @brief Derived class from mover for dock design with backrub moves
/// @author Sarel Fleishman (sarelf@u.washington.edu), Eva-Maria Strauch (evas01@u.washington.edu)

#ifndef INCLUDED_protocols_protein_interface_design_movers_BackrubDDMover_hh
#define INCLUDED_protocols_protein_interface_design_movers_BackrubDDMover_hh

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

#include <utility/vector1.hh>

//Auto Headers
#include <protocols/simple_moves/DesignRepackMover.hh>


// C++ headers

namespace protocols {
namespace protein_interface_design {
namespace movers {

class BackrubDDMover : public simple_moves::DesignRepackMover
{
public:
  typedef core::scoring::ScoreFunctionCOP ScoreFunctionCOP;
  typedef core::scoring::ScoreFunctionOP ScoreFunctionOP;
  typedef core::pose::Pose Pose;
public:
  BackrubDDMover();
  BackrubDDMover(
    ScoreFunctionCOP scorefxn,
    bool const backrub_partner1,
    bool const backrub_partner2,
    core::Real const interface_distance_cutoff,
    core::Size const backrub_moves,
    core::Real const mc_kt,
    core::Real const sidechain_move_prob,
    std::vector< core::Size > const & residues );
  void apply( Pose & pose );
  virtual std::string get_name() const;
  protocols::moves::MoverOP clone() const;
  protocols::moves::MoverOP fresh_instance() const { return protocols::moves::MoverOP( new BackrubDDMover ); }
  virtual ~BackrubDDMover();
protected:
    void parse_my_tag( utility::tag::TagPtr const tag, protocols::moves::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const & );
private:
  bool backrub_partner1_;
  bool backrub_partner2_;
  core::Real interface_distance_cutoff_;
  core::Size backrub_moves_;
  core::Real mc_kt_;
  core::Real sidechain_move_prob_;
  core::Real small_move_prob_;
  core::Real bbg_move_prob_;
  std::vector< core::Size > residues_;
};

} // movers
} // protein_interface_design
} // protocols

#endif /*INCLUDED_protocols_protein_interface_design_movers_BackrubDDMover_HH*/