SymPackRotamersMover.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.
// (C) 199x-2009 Rosetta Commons participating institutions and developers.
// For more information, see http://www.rosettacommons.org/.

/// @file
/// @brief
/// @author Ingemar Andre

#ifndef INCLUDED_protocols_simple_moves_symmetry_SymPackRotamersMover_hh
#define INCLUDED_protocols_simple_moves_symmetry_SymPackRotamersMover_hh

// Unit headers
#include <protocols/simple_moves/symmetry/SymPackRotamersMover.fwd.hh>
#include <protocols/simple_moves/PackRotamersMover.hh>

// Project headers
#include <core/pack/rotamer_set/RotamerSets.fwd.hh>
#include <core/pack/rotamer_set/symmetry/SymmetricRotamerSets.fwd.hh>

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

#include <utility/vector0.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace simple_moves {
namespace symmetry {

class SymPackRotamersMover : public protocols::simple_moves::PackRotamersMover {

public:
  // default constructor
  SymPackRotamersMover();

  SymPackRotamersMover(
    core::scoring::ScoreFunctionCOP scorefxn,
    core::pack::task::PackerTaskCOP task = 0,
    core::Size nloop = 1
  );

  // destructor (important for properly forward-declaring smart-pointer members)
  ~SymPackRotamersMover();

  // copy constructor
  SymPackRotamersMover( PackRotamersMover const & other );

//  virtual void apply( core::pose::Pose & pose );

  void
  make_symmetric_task(
    core::pose::Pose & pose,
    core::pack::task::PackerTaskOP task
  );
  virtual std::string get_name() const;

  virtual protocols::moves::MoverOP clone() const;
  virtual protocols::moves::MoverOP fresh_instance() const;

  virtual void parse_my_tag( 
      utility::tag::TagPtr const tag,
      moves::DataMap &data,
      filters::Filters_map const &filters,
      moves::Movers_map const &movers,
      core::pose::Pose const & pose );
  virtual void parse_def( utility::lua::LuaObject const & def,
          utility::lua::LuaObject const & score_fxns,
          utility::lua::LuaObject const & tasks,
          protocols::moves::MoverCacheSP cache );

private:

  // to be used/redefined by derived classes
  virtual void setup( core::pose::Pose & pose );
  // need a more elegant rot_to_pack implementation than this
  virtual core::PackerEnergy run(
    core::pose::Pose & pose,
    utility::vector0< int > rot_to_pack = utility::vector0<int>()
  ) const;

private:

  // pointers to data that are passed in
  core::pack::rotamer_set::symmetry::SymmetricRotamerSetsOP sym_rotamer_sets_;
  core::pack::task::PackerTaskOP symmetric_task_;
  InteractionGraphBaseOP symmetric_ig_;
};

} // symmetry
} // moves
} // protocols

#endif