BALL 1.5.0
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Public Member Functions | Public Attributes | List of all members
BALL::NMRStarFile::ShiftReferenceElement Class Reference

#include <BALL/FORMAT/NMRStarFile.h>

Public Member Functions

 ShiftReferenceElement ()
 
std::ostream & operator>> (std::ostream &s)
 

Public Attributes

String mol_common_name
 
String atom_type
 
Position isotope_number
 
String atom_group
 
String shift_units
 
float shift_value
 
String reference_method
 
String reference_type
 
float indirect_shift_ratio
 

Detailed Description

ShiftReferenceElement. This class includes all information for a shift reference element for one atom type delivered by a NMRStar file. All members are public for easy access.

Definition at line 198 of file NMRStarFile.h.

Constructor & Destructor Documentation

◆ ShiftReferenceElement()

BALL::NMRStarFile::ShiftReferenceElement::ShiftReferenceElement ( )

Member Function Documentation

◆ operator>>()

std::ostream & BALL::NMRStarFile::ShiftReferenceElement::operator>> ( std::ostream &  s)

Member Data Documentation

◆ atom_group

String BALL::NMRStarFile::ShiftReferenceElement::atom_group

Definition at line 206 of file NMRStarFile.h.

◆ atom_type

String BALL::NMRStarFile::ShiftReferenceElement::atom_type

Definition at line 204 of file NMRStarFile.h.

◆ indirect_shift_ratio

float BALL::NMRStarFile::ShiftReferenceElement::indirect_shift_ratio

Definition at line 211 of file NMRStarFile.h.

◆ isotope_number

Position BALL::NMRStarFile::ShiftReferenceElement::isotope_number

Definition at line 205 of file NMRStarFile.h.

◆ mol_common_name

String BALL::NMRStarFile::ShiftReferenceElement::mol_common_name

Definition at line 203 of file NMRStarFile.h.

◆ reference_method

String BALL::NMRStarFile::ShiftReferenceElement::reference_method

Definition at line 209 of file NMRStarFile.h.

◆ reference_type

String BALL::NMRStarFile::ShiftReferenceElement::reference_type

Definition at line 210 of file NMRStarFile.h.

◆ shift_units

String BALL::NMRStarFile::ShiftReferenceElement::shift_units

Definition at line 207 of file NMRStarFile.h.

◆ shift_value

float BALL::NMRStarFile::ShiftReferenceElement::shift_value

Definition at line 208 of file NMRStarFile.h.