RNA_O2StarMover.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 RNA_O2StarMover.hh
/// @brief
/// @detailed
///
/// @author Rhiju Das


#ifndef INCLUDED_protocols_swa_monte_carlo_RNA_O2StarMover_hh
#define INCLUDED_protocols_swa_monte_carlo_RNA_O2StarMover_hh

#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/swa/monte_carlo/types.hh>
#include <protocols/swa/monte_carlo/RNA_O2StarMover.fwd.hh>


namespace protocols {
namespace swa {
namespace monte_carlo {

/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
class RNA_O2StarMover: public protocols::moves::Mover {
public:

  RNA_O2StarMover( core::scoring::ScoreFunctionOP scorefxn,
                   bool const sample_all_o2star,
                   core::Real const sample_range_small,
                   core::Real const sample_range_large );

  //destructor -- necessary? -- YES destructors are necessary.
  ~RNA_O2StarMover();

  // Undefinded, commenting out to fix PyRosetta build  void apply( core::pose::Pose & pose, Size const res_to_delete, protocols::swa::monte_carlo::MovingResidueCase const moving_residue_case  );

  /// @brief Apply the minimizer to one pose
  using protocols::moves::Mover::apply;
  virtual void apply( core::pose::Pose & pose_to_visualize );
  virtual std::string get_name() const;

  void
  apply( core::pose::Pose & pose, std::string & move_type );

private:

  void
  sample_near_o2star_torsion( core::pose::Pose & pose, Size const moving_res, core::Real const sample_range);

  Size
  get_random_o2star_residue( core::pose::Pose & pose );

  Size
  get_random_o2star_residue_near_moving_residue( core::pose::Pose & pose, utility::vector1< Size > const moving_res_list );

private:

  core::scoring::ScoreFunctionOP scorefxn_;
  bool const sample_all_o2star_;
  core::Real const sample_range_small_, sample_range_large_;

};

} // monte_carlo
} // swa
} // protocols

#endif