ReturnSidechainMover.hh

Go to the documentation of this file.

// -*- 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/simple_moves/ReturnSidechainMover.hh
/// @brief protocols::moves::Mover to "return" proper sidechains to a pose that was temporarily in centroid mode (can be used for any sidechain copying)
/// @author Steven Lewis

#ifndef INCLUDED_protocols_simple_moves_ReturnSidechainMover_hh
#define INCLUDED_protocols_simple_moves_ReturnSidechainMover_hh

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

// Project Headers
#include <core/pose/Pose.hh> //we're going to contain a pose
#include <protocols/moves/Mover.hh>

// Utility Headers
#include <core/types.hh>
#include <utility/vector1.fwd.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace simple_moves {

///@details This class takes two poses, one at instantiation and one at apply.  It copies the residue type set and chi information from its kept pose to the apply pose.  The intended purpose is for "returning" known sidechains to a pose that was temporarily in centroid mode, although it may work with other residue type sets.
class ReturnSidechainMover : public protocols::moves::Mover {

public:

  ///@brief default constructor
  ReturnSidechainMover();

  ///@brief constructor with pose
  ReturnSidechainMover(
    core::pose::Pose const & pose_in,
    core::Size start_res = 0,
    core::Size end_res = 0 );

  ///@brief constructor with pose and copiable residue array
  ReturnSidechainMover(
    core::pose::Pose const & pose_in,
    utility::vector1<bool> allow_chi_in,
    core::Size start_res = 0,
    core::Size end_res = 0 );

  virtual ~ReturnSidechainMover();

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

  bool copy_all_chi_;
  utility::vector1<bool> allow_chi_copy_;

  core::Size get_start_res() const;
  core::Size get_end_res() const;

private:
  ///@brief remembered old pose
  core::pose::Pose const remembered_pose_;

  ///@brief residue numbers for which residues to loop over for recovery
  core::Size start_res_, end_res_;

};//end ReturnSidechainMover

std::ostream &operator<< (std::ostream &os, ReturnSidechainMover const &mover);

}//namespace moves
}//namespace protocols

#endif // INCLUDED_protocols_simple_moves_ReturnSidechainMover_HH