RNA_AddMover.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_AddMover.hh
/// @brief
/// @detailed
///
/// @author Rhiju Das


#ifndef INCLUDED_protocols_swa_monte_carlo_RNA_AddMover_hh
#define INCLUDED_protocols_swa_monte_carlo_RNA_AddMover_hh

#include <core/pose/Pose.fwd.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.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>
#include <protocols/swa/monte_carlo/RNA_AddMover.fwd.hh>


namespace protocols {
namespace swa {
namespace monte_carlo {

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


  RNA_AddMover( core::chemical::ResidueTypeSetCAP rsd_set, core::scoring::ScoreFunctionOP scorefxn );

  //destructor
  ~RNA_AddMover();
  
  using protocols::moves::Mover::apply;
  void
  apply( core::pose::Pose & pose, Size const res_to_add, protocols::swa::monte_carlo::MovingResidueCase const moving_residue_case  );

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

  void set_kT( core::Real const & setting ){ kT_ = setting; }

  void set_sample_range_small( core::Real const setting ){ sample_range_small_ = setting; }

  void set_sample_range_large( core::Real const setting ){ sample_range_large_ = setting; }

  void set_internal_cycles( Size const setting ){ internal_cycles_ = setting; }

  void set_presample_added_residue( Size const setting ){ presample_added_residue_ = setting; }

  void set_start_added_residue_in_aform( Size const setting ){ start_added_residue_in_aform_ = setting; }

private:

  core::chemical::ResidueTypeSetCAP rsd_set_;
  core::scoring::ScoreFunctionOP scorefxn_;
  bool presample_added_residue_;
  bool start_added_residue_in_aform_;
  Size internal_cycles_;
  RNA_TorsionMoverOP rna_torsion_mover_;
  core::Real sample_range_small_, sample_range_large_, kT_;

};

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

#endif