StepWiseRNA_Base_Sugar_Rotamer.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 StepWiseRNA_Base_Sugar_Rotamer
/// @brief
/// @detailed
/// @author Parin Sripakdeevong


#ifndef INCLUDED_protocols_swa_rna_StepWiseRNA_Base_Sugar_Rotamer_HH
#define INCLUDED_protocols_swa_rna_StepWiseRNA_Base_Sugar_Rotamer_HH

#include <protocols/swa/rna/StepWiseRNA_Classes.hh>
#include <protocols/swa/rna/StepWiseRNA_RotamerGenerator.fwd.hh>
//#include <protocols/swa/rna/StepWiseRNA_RotamerGenerator.hh>

#include <core/types.hh>
#include <core/id/TorsionID.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/vector1.hh>
#include <utility/pointer/ReferenceCount.hh>
#include <core/scoring/rna/RNA_FittedTorsionInfo.hh>

#include <string>
#include <map>

namespace protocols {
namespace swa {
namespace rna {

  class StepWiseRNA_Base_Sugar_Rotamer: public utility::pointer::ReferenceCount {
  public:

    //constructor!
    StepWiseRNA_Base_Sugar_Rotamer(
                      BaseState const & base_state,
                      PuckerState const & pucker_state,
                      core::scoring::rna::RNA_FittedTorsionInfo const & rna_fitted_torsion_info,
                      core::Size const bin_size=20);

    virtual ~StepWiseRNA_Base_Sugar_Rotamer();

    void reset();

    bool get_next_rotamer();

    PuckerState const & current_pucker_state() const;
    std::string const current_base_state() const;
    std::string const current_tag() const;

    core::Real const & chi()   const {return chi_;}
    core::Real const & delta() const {return delta_;}
    core::Real const & nu2()   const {return nu2_;}
    core::Real const & nu1()   const {return nu1_;}

    void set_extra_syn_chi( bool const setting){ extra_syn_chi_ =setting; }
    void set_extra_anti_chi( bool const setting){ extra_anti_chi_ =setting; }

  private:

  private:


    BaseState const base_state_;
    PuckerState const pucker_state_;
    core::scoring::rna::RNA_FittedTorsionInfo const rna_fitted_torsion_info_;
    core::Size const inputted_bin_size_; // must be 20, 10, or 5
    core::Size bin_size_;
    core::Size num_base_std_ID_;

    core::Size num_base_ID_;  //Should make this a const
    utility::vector1 < PuckerState > pucker_state_list_; //Should make this a const
    utility::vector1 < BaseState > base_state_list_; //April 30, 2011

    core::Size pucker_ID_;
    core::Size base_ID_;
    core::Size base_std_ID_;

    core::Size pucker_ID_old_;
    core::Size base_ID_old_;
    core::Size base_std_ID_old_;

    core::Real chi_;
    core::Real delta_;
    core::Real nu2_;
    core::Real nu1_;

    core::Real total_variation_;
    bool extra_anti_chi_;
    bool extra_syn_chi_;
  };
}
} //swa
} // protocols

#endif