SymSidechainMinMover.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
/// @brief
/// @author Sid Chaudhury ( carbon copy by Ingemar André )
#ifndef INCLUDED_protocols_symmetric_docking_SymSidechainMinMover_hh
#define INCLUDED_protocols_symmetric_docking_SymSidechainMinMover_hh

// Unit headers
#include <protocols/symmetric_docking/SymSidechainMinMover.fwd.hh>

// Project headers
#include <protocols/scoring/Interface.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/types.hh>

#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pack/task/TaskFactory.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/kinematics/MoveMap.fwd.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/simple_moves/MinMover.fwd.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace symmetric_docking {

class SymSidechainMinMover : public moves::Mover {
public:

  // default constructor
  SymSidechainMinMover();

  //constructors with arguments
  SymSidechainMinMover( core::scoring::ScoreFunctionCOP scorefxn_in );
  SymSidechainMinMover( core::scoring::ScoreFunctionCOP scorefxn_in,core::kinematics::MoveMapOP movemap_in );
  SymSidechainMinMover( core::scoring::ScoreFunctionCOP scorefxn_in, core::pack::task::PackerTaskOP);
  SymSidechainMinMover( core::scoring::ScoreFunctionCOP scorefxn_in, core::pack::task::TaskFactoryOP );

  // destructor
  ~SymSidechainMinMover();

  void set_default_options();

  void set_minmover( protocols::simple_moves::MinMoverOP minmover_in );

  void update_movemap( core::pose::Pose & pose );

  virtual void apply( core::pose::Pose & pose );
  virtual std::string get_name() const;

protected:

  core::scoring::ScoreFunctionCOP scorefxn_;
  protocols::simple_moves::MinMoverOP minmover_;
  core::kinematics::MoveMapOP movemap_;
  core::pack::task::PackerTaskOP task_;
  core::pack::task::TaskFactoryOP tf_;
  bool update_movemap_;

  };


class SymInterfaceSidechainMinMover : public SymSidechainMinMover {
public:

  //default constructor
  SymInterfaceSidechainMinMover();

  // constructor with arguments
  SymInterfaceSidechainMinMover(
    core::scoring::ScoreFunctionCOP scorefxn_in,
    core::Real interface_dist_in=8.0
  );

  // destructor
  ~SymInterfaceSidechainMinMover();

  void set_default_options();

  void set_interface_dist( core::Real interface_dist_in);

  virtual void apply( core::pose::Pose & pose );
  virtual std::string get_name() const;

private:

  core::Real interface_dist_;

  protocols::scoring::InterfaceOP interface_;

  };

} //symmetric_docking
} // protocols


#endif