RestrictToAlignedSegments.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/toolbox/task_operations/RestrictToAlignedSegmentsOperation.hh
/// @brief  TaskOperation class that restricts a chain to repacking
/// @author Sarel Fleishman sarelf@uw.edu

#ifndef INCLUDED_protocols_toolbox_task_operations_RestrictToAlignedSegments_hh
#define INCLUDED_protocols_toolbox_task_operations_RestrictToAlignedSegments_hh

// Unit Headers
#include <protocols/toolbox/task_operations/RestrictToAlignedSegments.fwd.hh>
#include <protocols/toolbox/task_operations/RestrictOperationsBase.hh>

// Project Headers
#include <core/pose/Pose.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <utility/tag/Tag.fwd.hh>
#include <core/pose/Pose.fwd.hh>

// Utility Headers
#include <core/types.hh>

// C++ Headers
#include <string>
#include <set>

#include <utility/vector1.hh>


namespace protocols {
namespace toolbox {
namespace task_operations {

///@details this class is a TaskOperation to prevent repacking of residues not near an interface.
class RestrictToAlignedSegmentsOperation : public RestrictOperationsBase
{
public:
  typedef RestrictOperationsBase parent;

  RestrictToAlignedSegmentsOperation();

  virtual ~RestrictToAlignedSegmentsOperation();

  virtual TaskOperationOP clone() const;

  virtual
  void
  apply( core::pose::Pose const &, core::pack::task::PackerTask & ) const;

  virtual void parse_tag( TagPtr );

  utility::vector1< core::Size > start_res() const{ return start_res_; }
  void start_res( utility::vector1< core::Size > const s ){ start_res_ = s; }
  utility::vector1< core::Size > stop_res() const{ return stop_res_; }
  void stop_res( utility::vector1< core::Size > const s ){ stop_res_ = s; }
  core::Size chain()const {return chain_;}
  void chain( core::Size const c ){ chain_ = c; }

  core::Real repack_shell() const{ return repack_shell_;}
  void repack_shell( core::Real const r ){ repack_shell_ = r; }
private:
  utility::vector1< core::pose::PoseOP > source_pose_;
  utility::vector1< core::Size > start_res_; // start and end will be parsed at apply time to determine the relevant residue numbers
  utility::vector1< core::Size > stop_res_;
  core::Size chain_; //dflt 1; which chain to look at. 0 means all chains
  core::Real repack_shell_; //dflt 6A; allow repack in residues surrounding the aligned segment on chain_
};

} //namespace protocols
} //namespace toolbox
} //namespace task_operations

#endif // INCLUDED_protocols_toolbox_TaskOperations_RestrictToAlignedSegmentsOperation_HH