RNA_TorsionMover.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) torsionressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

/// @file RNA_TorsionMover.hh
/// @brief
/// @detailed
///
/// @author Rhiju Das


#ifndef INCLUDED_protocols_swa_monte_carlo_RNA_TorsionMover_hh
#define INCLUDED_protocols_swa_monte_carlo_RNA_TorsionMover_hh

#include <core/pose/Pose.fwd.hh>
#include <core/scoring/rna/RNA_FittedTorsionInfo.hh>
#include <core/types.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/swa/monte_carlo/types.hh>
#include <protocols/swa/monte_carlo/RNA_TorsionMover.fwd.hh>

using namespace core;

namespace protocols {
namespace swa {
namespace monte_carlo {

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


  //destructor
  ~RNA_TorsionMover();

  // Undefinded, commenting out to fix PyRosetta build  void apply( core::pose::Pose & pose, Size const res_to_torsion, 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, Real const & sample_range );

  void
  random_torsion_move( pose::Pose & pose,
                                         utility::vector1< Size > const & moving_res_list,
                                         std::string & move_type,
                                         Real const & sample_range );

  void
  sample_near_suite_torsion(utility::vector1< Real > & torsion_list, Real const stddev);

  void
  sample_near_nucleoside_torsion(utility::vector1< Real > & torsion_list, Real const stddev);

  void
  apply_random_nucleoside_torsion( pose::Pose & pose,
                                   Size const moving_res );

  void
  apply_random_suite_torsion( pose::Pose & pose,
                              Size const moving_suite );

  void
  apply_nucleoside_torsion_Aform(
                                 pose::Pose & pose,
                                 Size const moving_res );

  void
  apply_suite_torsion_Aform(
                            pose::Pose & pose,
                            Size const moving_suite );

  void
  sample_near_suite_torsion( pose::Pose & pose, Size const moving_suite, Real const sample_range);

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

  void
  crankshaft_alpha_gamma( pose::Pose & pose, Size const moving_suite, Real const sample_range);


private:

  void
  apply_nucleoside_torsion( utility::vector1< Real > const & torsion_set,
                                              pose::Pose & pose,
                                              Size const moving_res);


  void
  apply_suite_torsion( utility::vector1< Real > const & torsion_set,
                                         pose::Pose & pose,
                                         Size const moving_suite );

  utility::vector1< Real>
  get_suite_torsion( pose::Pose const & pose, Size const moving_suite );

  utility::vector1< Real>
  get_nucleoside_torsion( pose::Pose const & pose, Size const moving_nucleoside );

private:

  Size default_sample_range_;
  core::scoring::rna::RNA_FittedTorsionInfo rna_fitted_torsion_info_;

};

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

#endif