BALL  1.4.1
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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 202 of file NMRStarFile.h.

Constructor & Destructor Documentation

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

Member Function Documentation

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

Member Data Documentation

String BALL::NMRStarFile::ShiftReferenceElement::atom_group

Definition at line 210 of file NMRStarFile.h.

String BALL::NMRStarFile::ShiftReferenceElement::atom_type

Definition at line 208 of file NMRStarFile.h.

float BALL::NMRStarFile::ShiftReferenceElement::indirect_shift_ratio

Definition at line 215 of file NMRStarFile.h.

Position BALL::NMRStarFile::ShiftReferenceElement::isotope_number

Definition at line 209 of file NMRStarFile.h.

String BALL::NMRStarFile::ShiftReferenceElement::mol_common_name

Definition at line 207 of file NMRStarFile.h.

String BALL::NMRStarFile::ShiftReferenceElement::reference_method

Definition at line 213 of file NMRStarFile.h.

String BALL::NMRStarFile::ShiftReferenceElement::reference_type

Definition at line 214 of file NMRStarFile.h.

String BALL::NMRStarFile::ShiftReferenceElement::shift_units

Definition at line 211 of file NMRStarFile.h.

float BALL::NMRStarFile::ShiftReferenceElement::shift_value

Definition at line 212 of file NMRStarFile.h.