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protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer Class Reference

#include <StepWiseRNA_Base_Sugar_Rotamer.hh>

Inheritance diagram for protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer:
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Collaboration diagram for protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer:
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Public Member Functions

 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
 
core::Real const & delta () const
 
core::Real const & nu2 () const
 
core::Real const & nu1 () const
 
void set_extra_syn_chi (bool const setting)
 
void set_extra_anti_chi (bool const setting)
 

Private Attributes

BaseState const base_state_
 
PuckerState const pucker_state_
 
core::scoring::rna::RNA_FittedTorsionInfo
const 		rna_fitted_torsion_info_
 
core::Size const inputted_bin_size_
 
core::Size bin_size_
 
core::Size num_base_std_ID_
 
core::Size num_base_ID_
 
utility::vector1< PuckerState > pucker_state_list_
 
utility::vector1< BaseState > base_state_list_
 
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_
 

Detailed Description

Definition at line 37 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Constructor & Destructor Documentation

protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::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 
)

Definition at line 43 of file StepWiseRNA_Base_Sugar_Rotamer.cc.

References protocols::swa::rna::ALL, protocols::swa::rna::ANTI, base_state_, base_state_list_, protocols::swa::rna::BOTH, protocols::swa::rna::NONE, protocols::swa::rna::NORTH, pucker_state_, pucker_state_list_, reset(), protocols::swa::rna::SOUTH, and protocols::swa::rna::SYN.

protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::~StepWiseRNA_Base_Sugar_Rotamer ( )
virtual

Definition at line 91 of file StepWiseRNA_Base_Sugar_Rotamer.cc.

Member Function Documentation

core::Real const& protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::chi ( ) const
inline

Definition at line 57 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

References chi_.

std::string const protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::current_base_state ( ) const

Definition at line 199 of file StepWiseRNA_Base_Sugar_Rotamer.cc.

References protocols::swa::rna::ANTI, base_ID_old_, base_state_list_, base_std_ID_old_, chi_, and protocols::swa::rna::SYN.

Referenced by current_tag().

PuckerState const & protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::current_pucker_state ( ) const

Definition at line 184 of file StepWiseRNA_Base_Sugar_Rotamer.cc.

References protocols::swa::rna::NORTH, pucker_ID_old_, pucker_state_list_, and protocols::swa::rna::SOUTH.

Referenced by current_tag(), and get_next_rotamer().

std::string const protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::current_tag ( ) const

Definition at line 226 of file StepWiseRNA_Base_Sugar_Rotamer.cc.

References current_base_state(), current_pucker_state(), protocols::swa::rna::NORTH, and protocols::swa::rna::SOUTH.

core::Real const& protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::delta ( ) const
inline

Definition at line 58 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

References delta_.

bool protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::get_next_rotamer ( )

Definition at line 96 of file StepWiseRNA_Base_Sugar_Rotamer.cc.

References protocols::swa::rna::ANTI, base_ID_, base_ID_old_, base_state_list_, base_std_ID_, base_std_ID_old_, bin_size_, chi_, current_pucker_state(), delta_, extra_anti_chi_, extra_syn_chi_, core::scoring::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_chi_north(), core::scoring::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_chi_south(), core::scoring::rna::RNA_FittedTorsionInfo::ideal_delta_north(), core::scoring::rna::RNA_FittedTorsionInfo::ideal_delta_south(), core::scoring::rna::RNA_FittedTorsionInfo::ideal_nu1_north(), core::scoring::rna::RNA_FittedTorsionInfo::ideal_nu1_south(), core::scoring::rna::RNA_FittedTorsionInfo::ideal_nu2_north(), core::scoring::rna::RNA_FittedTorsionInfo::ideal_nu2_south(), inputted_bin_size_, protocols::swa::rna::NORTH, nu1_, nu2_, num_base_std_ID_, pucker_ID_, pucker_ID_old_, pucker_state_list_, rna_fitted_torsion_info_, protocols::swa::rna::SOUTH, protocols::swa::rna::SYN, and total_variation_.

core::Real const& protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::nu1 ( ) const
inline

Definition at line 60 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

References nu1_.

core::Real const& protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::nu2 ( ) const
inline

Definition at line 59 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

References nu2_.

void protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::reset ( void  )

Definition at line 243 of file StepWiseRNA_Base_Sugar_Rotamer.cc.

References base_ID_, base_ID_old_, base_std_ID_, base_std_ID_old_, chi_, delta_, nu1_, nu2_, pucker_ID_, and pucker_ID_old_.

Referenced by StepWiseRNA_Base_Sugar_Rotamer().

void protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::set_extra_anti_chi ( bool const  setting)
inline

Definition at line 63 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

References extra_anti_chi_.

void protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::set_extra_syn_chi ( bool const  setting)
inline

Definition at line 62 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

References extra_syn_chi_.

Member Data Documentation

core::Size protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::base_ID_
private

Definition at line 82 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer(), and reset().

core::Size protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::base_ID_old_
private

Definition at line 86 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by current_base_state(), get_next_rotamer(), and reset().

BaseState const protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::base_state_
private

Definition at line 70 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by StepWiseRNA_Base_Sugar_Rotamer().

utility::vector1< BaseState > protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::base_state_list_
private

Definition at line 79 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by current_base_state(), get_next_rotamer(), and StepWiseRNA_Base_Sugar_Rotamer().

core::Size protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::base_std_ID_
private

Definition at line 83 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer(), and reset().

core::Size protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::base_std_ID_old_
private

Definition at line 87 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by current_base_state(), get_next_rotamer(), and reset().

core::Size protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::bin_size_
private

Definition at line 74 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer().

core::Real protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::chi_
private

Definition at line 89 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by chi(), current_base_state(), get_next_rotamer(), and reset().

core::Real protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::delta_
private

Definition at line 90 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by delta(), get_next_rotamer(), and reset().

bool protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::extra_anti_chi_
private

Definition at line 95 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer(), and set_extra_anti_chi().

bool protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::extra_syn_chi_
private

Definition at line 96 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer(), and set_extra_syn_chi().

core::Size const protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::inputted_bin_size_
private

Definition at line 73 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer().

core::Real protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::nu1_
private

Definition at line 92 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer(), nu1(), and reset().

core::Real protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::nu2_
private

Definition at line 91 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer(), nu2(), and reset().

core::Size protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::num_base_ID_
private

Definition at line 77 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

core::Size protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::num_base_std_ID_
private

Definition at line 75 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer().

core::Size protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::pucker_ID_
private

Definition at line 81 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer(), and reset().

core::Size protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::pucker_ID_old_
private

Definition at line 85 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by current_pucker_state(), get_next_rotamer(), and reset().

PuckerState const protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::pucker_state_
private

Definition at line 71 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by StepWiseRNA_Base_Sugar_Rotamer().

utility::vector1< PuckerState > protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::pucker_state_list_
private

Definition at line 78 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by current_pucker_state(), get_next_rotamer(), and StepWiseRNA_Base_Sugar_Rotamer().

core::scoring::rna::RNA_FittedTorsionInfo const protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::rna_fitted_torsion_info_
private

Definition at line 72 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer().

core::Real protocols::swa::rna::StepWiseRNA_Base_Sugar_Rotamer::total_variation_
private

Definition at line 94 of file StepWiseRNA_Base_Sugar_Rotamer.hh.

Referenced by get_next_rotamer().

The documentation for this class was generated from the following files:
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