SheetTranslate.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.
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/// @file protocols/nonlocal/SheetTranslate.hh
/// @author Christopher Miles (cmiles@uw.edu)

#ifndef INCLUDED_protocols_nonlocal_SheetTranslate_HH
#define INCLUDED_protocols_nonlocal_SheetTranslate_HH

// Unit header
#include <protocols/nonlocal/SheetTranslate.fwd.hh>

// C/C++ headers
#include <string>

// Project headers
#include <core/pose/Pose.fwd.hh>
#include <protocols/loops/Loop.hh>
// AUTO-REMOVED #include <protocols/loops/Loops.hh>

// Package headers
#include <protocols/moves/Mover.hh>

//Auto Headers
#include <protocols/loops/Loops.fwd.hh>
#include <utility/vector1.hh>


namespace protocols {
namespace nonlocal {

/// @class A simple protocol for translating a contiguous stretch of residues along
/// the axis defined by its first and last residues. Makes no assumptions about the
/// kinematics of the system.
///
/// TODO(cmiles) Consider having the user define the axis of translation.
/// TODO(cmiles) Improved handling of curved sheets
class SheetTranslate : public moves::Mover {
public:
  SheetTranslate();
  SheetTranslate(const protocols::loops::Loop& sheet, double distance_ang);

  /// @brief Translates the sheet by the specified distance (in Angstroms)
  void apply(core::pose::Pose& pose);

  /// @brief Returns the protocol's name
  std::string get_name() const;

  /// @brief Creates a new instance with the copy constructor
  moves::MoverOP clone() const;

  /// @brief Creates a new instance with the default constructor
  moves::MoverOP fresh_instance() const;

  /// @brief Returns the sheet to be modified
  const protocols::loops::Loop& get_sheet() const;

  /// @brief Returns the distance (in Angstroms) to translate the sheet
  double get_distance() const;

  /// @brief Updates the sheet to be modified
  void set_sheet(const protocols::loops::Loop& sheet);

  /// @brief Updates the distance (in Angstroms) to translate the sheet
  void set_distance(double distance_ang);

private:
  /// @brief Shared initialization routine
  void initialize(const protocols::loops::Loop& sheet, double distance);

  /// @brief Returns true if this instance is valid and fully configured
  bool is_valid() const;

  /// @brief Partitions the structure such that the sheet to be translated
  /// belongs to its own chunk, which will be subsequently connected to the
  /// star fold tree by its own jump
  void decompose_structure(unsigned num_residues, protocols::loops::Loops* chunks) const;

  /// @brief Searches chunks for the member representing the sheet, returning its index
  unsigned jump_containing_sheet(const protocols::loops::Loops& chunks) const;

  /// @brief Stretch of contiguous residues representing the sheet to be rotated
  protocols::loops::Loop sheet_;

  /// @brief Distance to translate the sheet in Angstroms
  double distance_;
};

}  // namespace nonlocal
}  // namespace protocols

#endif