BALL::ShiftReferenceElement Struct Reference

#include <BALL/FORMAT/NMRStarFile.h>

List of all members.

Public Member Functions
	ShiftReferenceElement ()
Public Attributes
String	mol_common_name
char	atom_type
Position	isotope_number
String	atom_group
String	shift_units
float	shift_value
char	reference_method
char	reference_type
float	indirect_shift_ratio

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Detailed Description

ShiftReferenceElement. This structure includes all information for a shift reference element for one atom type delivered by a NMR-Star-File. All members are public for easy access.

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Constructor & Destructor Documentation

BALL::ShiftReferenceElement::ShiftReferenceElement

(

)

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Member Data Documentation

String BALL::ShiftReferenceElement::atom_group

char BALL::ShiftReferenceElement::atom_type

float BALL::ShiftReferenceElement::indirect_shift_ratio

Position BALL::ShiftReferenceElement::isotope_number

String BALL::ShiftReferenceElement::mol_common_name

char BALL::ShiftReferenceElement::reference_method

char BALL::ShiftReferenceElement::reference_type

String BALL::ShiftReferenceElement::shift_units

float BALL::ShiftReferenceElement::shift_value