MultiThreadingMover.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 protocols/comparative_modeling/MultiThreadingMover.hh
/// @brief
/// @author James Thompson

// libRosetta headers

#ifndef INCLUDED_protocols_comparative_modeling_MultiThreadingMover_HH
#define INCLUDED_protocols_comparative_modeling_MultiThreadingMover_HH

#include <protocols/moves/Mover.hh>

#include <core/types.hh>
#include <core/pose/Pose.hh>

#include <core/sequence/SequenceAlignment.hh>
#include <core/fragment/FragSet.hh>
#include <core/fragment/FragSet.fwd.hh>

// C++ headers
#include <string>
#include <utility/vector1.hh>

namespace protocols {
namespace comparative_modeling {

class MultiThreadingMover : public protocols::moves::Mover {

public:
  typedef core::sequence::SequenceAlignment Alignment;
  typedef utility::vector1< Alignment > Alignments;
  typedef utility::vector1< core::pose::Pose > Poses;

public:

  /// @brief align describes the association between the query and template
  /// sequences, template_pose is the conformation from which to build a
  /// threading model.
  MultiThreadingMover(
    Alignments const & aligns,
    Poses const & template_poses
  );

  virtual ~MultiThreadingMover() {}

  /// @brief Returns the SequenceAlignments used in threading.
  //Alignments alignment();

  /// @brief Manipulate the SequenceAlignments associated with this object.
  //void alignments( Alignments alns );
  //void add_alignment( Alignment const & aln );
  //void clear_alignments();

  //void template_poses( Poses poses );
  //void add_template_pose( core::pose::Pose const & template_pose );
  //void clear_template_poses();

  void build_loops( bool setting );

  void randomize_loop_coords( bool setting );

  void repack_query( bool setting );

  bool build_loops() const;

  bool repack_query() const;

  bool randomize_loop_coords();

  void min_loop_size( core::Size const new_size );

  Size min_loop_size() const;

  utility::vector1< core::fragment::FragSetOP > frag_libs() const;

  void frag_libs(
    utility::vector1< core::fragment::FragSetOP > new_libs
  );

  /// @brief Threads the given Pose onto the template_pose with the
  /// SequenceAlignment provided.
  virtual void apply( core::pose::Pose & query_pose );

  virtual std::string get_name() const;

private:
  void check_internals() const;

private: // data members
  Poses template_poses_;
  Alignments alignments_;
  bool build_query_loops_;
  bool repack_query_;
  bool randomize_loop_coords_;
  core::Size min_loop_size_;

  utility::vector1< core::fragment::FragSetOP > frag_libs_;
}; // MultiThreadingMover

} // comparative_modeling
} // protocols

#endif