MultipleDomainMover.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
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/// @file loopRNA_minimizer.hh
/// @brief
/// @detailed
///
/// @author Rhiju Das


#ifndef INCLUDED_protocols_rna_MultipleDomainMover_HH
#define INCLUDED_protocols_rna_MultipleDomainMover_HH

#include <protocols/rna/MultipleDomainMover.fwd.hh>
#include <protocols/moves/Mover.hh>

#include <protocols/rigid/RigidBodyMover.hh>
#include <protocols/toolbox/AllowInsert.hh>
#include <protocols/rigid/RigidBodyMover.hh>

#include <protocols/coarse_rna/CoarseRNA_LoopCloser.fwd.hh>
#include <protocols/coarse_rna/CoarseRNA_LoopCloser.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/vector1.hh>

#include <numeric/xyzVector.fwd.hh>

#include <core/types.hh>

//// C++ headers
// AUTO-REMOVED #include <cstdlib>
#include <string>


using core::Size;
using core::Real;

namespace protocols {
namespace rna {

/// @brief The RNA de novo structure modeling protocol
class MultipleDomainMover: public protocols::moves::Mover {
public:

  /// @brief Construct the protocol object
  MultipleDomainMover( core::pose::Pose const & pose, protocols::coarse_rna::CoarseRNA_LoopCloserOP rna_loop_closer  );

  /// @brief Clone this object
  virtual protocols::moves::MoverOP clone() const {
    return new MultipleDomainMover(*this);
  }

  /// @brief Apply the loop-rebuild protocol to the input pose
  void apply( core::pose::Pose & pose );

  virtual std::string get_name() const;

  Size
  apply_and_return_jump( core::pose::Pose & pose );

  Size
  apply_at_domain( core::pose::Pose & pose, Size const & n );

  void
  randomize_pose_rigid_bodies( core::pose::Pose & pose );

  void
  slide_back_to_origin( core::pose::Pose & pose );

  Size
  num_domains(){ return num_domains_;}

  void
  update_rot_trans_mag( Real const & rot_mag, Real const & trans_mag );


private:
  void
  initialize( core::pose::Pose const & pose, protocols::toolbox::AllowInsertOP allow_insert );

  void
  setup_jump_numbers_and_partner( core::pose::Pose const & pose );

  void
  setup_ok_for_centroid_calculation( protocols::toolbox::AllowInsertOP & allow_insert );

  void
  randomize_orientations( core::pose::Pose & pose );

  void
  try_to_slide_into_contact( core::pose::Pose & pose );

  void
  close_all_loops( core::pose::Pose & pose );

  void
  initialize_rigid_body_movers();

  numeric::xyzVector< core::Real >
  get_centroid( core::pose::Pose const & pose );

 private:

  bool verbose_;
  Real rot_mag_;
  Real trans_mag_;
  Size num_domains_;
  protocols::coarse_rna::CoarseRNA_LoopCloserOP rna_loop_closer_; //Later can make this a "general" loop closer.
  utility::vector1< int > jump_numbers_;
  utility::vector1< protocols::rigid::Partner > partner_;
  utility::vector1< bool > ok_for_centroid_calculation_;
  utility::vector1< protocols::rigid::RigidBodyPerturbMoverOP > rb_movers_;

}; // class MultipleDomainMover



} //rna
} // protocols

#endif