#include <RNA_ChemicalShiftPotential.hh>

Inheritance diagram for core::scoring::rna::chemical_shift::ChemicalShiftData:

Public Member Functions
	ChemicalShiftData (core::Size const in_seq_num, chemical::AA const in_res_aa, std::string const &in_atom_name, core::Size const in_realatomdata_index, core::Real const in_exp_shift, core::Real const in_ref_shift, std::string const &in_data_line, core::Real const in_accuracy_weight)

	~ChemicalShiftData () override

Public Attributes
core::Size	seq_num

chemical::AA	res_aa

std::string	atom_name

core::Size	realatomdata_index

core::Real	exp_shift

core::Real	ref_shift

std::string	data_line

core::Real	accuracy_weight

Constructor & Destructor Documentation

◆ ChemicalShiftData()

core::scoring::rna::chemical_shift::ChemicalShiftData::ChemicalShiftData	(	core::Size const	in_seq_num,
		chemical::AA const	in_res_aa,
		std::string const &	in_atom_name,
		core::Size const	in_realatomdata_index,
		core::Real const	in_exp_shift,
		core::Real const	in_ref_shift,
		std::string const &	in_data_line,
		core::Real const	in_accuracy_weight
	)

inline

◆ ~ChemicalShiftData()

core::scoring::rna::chemical_shift::ChemicalShiftData::~ChemicalShiftData ( )

inlineoverride

Member Data Documentation

◆ accuracy_weight

core::Real core::scoring::rna::chemical_shift::ChemicalShiftData::accuracy_weight

Referenced by core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_calc_chem_shift_value_larmord(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_calc_chem_shift_value_nuchemics(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_deriv_for_chemical_shift(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_deriv_for_chemical_shift_data_atom(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_magnetic_anisotropy_deriv_for_src_atom(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_magnetic_anisotropy_deriv_for_src_base(), and core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_ring_current_deriv_for_src_base().

◆ atom_name

std::string core::scoring::rna::chemical_shift::ChemicalShiftData::atom_name

◆ data_line

std::string core::scoring::rna::chemical_shift::ChemicalShiftData::data_line

Referenced by core::scoring::rna::chemical_shift::print_chemical_shift_data().

◆ exp_shift

core::Real core::scoring::rna::chemical_shift::ChemicalShiftData::exp_shift

Referenced by core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_best_exp_to_calc_chem_shift_mapping(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_calc_chem_shift_value_larmord(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_calc_chem_shift_value_nuchemics(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_deriv_for_chemical_shift(), and core::scoring::rna::chemical_shift::print_chemical_shift_data().

◆ realatomdata_index

core::Size core::scoring::rna::chemical_shift::ChemicalShiftData::realatomdata_index

Referenced by core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::assert_is_calc_chem_shift_atom(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_calc_chem_shift_value_nuchemics(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_deriv_for_chemical_shift_data_atom(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_magnetic_anisotropy_deriv_for_src_atom(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_magnetic_anisotropy_deriv_for_src_base(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_ring_current_deriv_for_src_base(), and core::scoring::rna::chemical_shift::print_chemical_shift_data().

◆ ref_shift

core::Real core::scoring::rna::chemical_shift::ChemicalShiftData::ref_shift

Referenced by core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_calc_chem_shift_value_larmord(), and core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_deriv_for_chemical_shift().

◆ res_aa

chemical::AA core::scoring::rna::chemical_shift::ChemicalShiftData::res_aa

Referenced by core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::assert_is_calc_chem_shift_atom(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_calc_chem_shift_value_larmord(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_calc_chem_shift_value_nuchemics(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_deriv_for_chemical_shift(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_deriv_for_chemical_shift_data_atom(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_magnetic_anisotropy_deriv_for_src_atom(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_magnetic_anisotropy_deriv_for_src_base(), core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential::get_ring_current_deriv_for_src_base(), and core::scoring::rna::chemical_shift::print_chemical_shift_data().

◆ seq_num

core::Size core::scoring::rna::chemical_shift::ChemicalShiftData::seq_num

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

src/core/scoring/rna/chemical_shift/RNA_ChemicalShiftPotential.hh

Public Member Functions

Public Attributes