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

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 206 of file NMRStarFile.h.

String BALL::NMRStarFile::ShiftReferenceElement::atom_type

Definition at line 204 of file NMRStarFile.h.

float BALL::NMRStarFile::ShiftReferenceElement::indirect_shift_ratio

Definition at line 211 of file NMRStarFile.h.

Position BALL::NMRStarFile::ShiftReferenceElement::isotope_number

Definition at line 205 of file NMRStarFile.h.

String BALL::NMRStarFile::ShiftReferenceElement::mol_common_name

Definition at line 203 of file NMRStarFile.h.

String BALL::NMRStarFile::ShiftReferenceElement::reference_method

Definition at line 209 of file NMRStarFile.h.

String BALL::NMRStarFile::ShiftReferenceElement::reference_type

Definition at line 210 of file NMRStarFile.h.

String BALL::NMRStarFile::ShiftReferenceElement::shift_units

Definition at line 207 of file NMRStarFile.h.

float BALL::NMRStarFile::ShiftReferenceElement::shift_value

Definition at line 208 of file NMRStarFile.h.