BALL::NMRStarFile::NMRAtomDataSet Class Reference

#include <BALL/FORMAT/NMRStarFile.h>

Public Member Functions
	NMRAtomDataSet (NMRStarFile *parent)
std::ostream &	operator>> (std::ostream &s)

Public Attributes
String	name
String	label
std::vector< NMRAtomData >	atom_data
String	condition
String	reference
std::vector< String >	samples

Protected Attributes
NMRStarFile *	parent_

Detailed Description

NMRAtomDataSet This class includes all NMR information concerning a dataset of atoms delivered by a NMRStar file. The corresponding condition, reference set, and samples can be looked up with getSampleConditionByName(), getShiftReferenceSetByName(), and getSample(). All members are public for easy access.

Definition at line 267 of file NMRStarFile.h.

Constructor & Destructor Documentation

NMRAtomDataSet()

BALL::NMRStarFile::NMRAtomDataSet::NMRAtomDataSet

(

NMRStarFile *

parent

)

Member Function Documentation

operator>>()

std::ostream & BALL::NMRStarFile::NMRAtomDataSet::operator>>

(

std::ostream &

s

)

Member Data Documentation

atom_data

std::vector<NMRAtomData> BALL::NMRStarFile::NMRAtomDataSet::atom_data

Definition at line 275 of file NMRStarFile.h.

condition

String BALL::NMRStarFile::NMRAtomDataSet::condition

Definition at line 276 of file NMRStarFile.h.

label

String BALL::NMRStarFile::NMRAtomDataSet::label

Definition at line 274 of file NMRStarFile.h.

name

String BALL::NMRStarFile::NMRAtomDataSet::name

Definition at line 273 of file NMRStarFile.h.

parent_

NMRStarFile* BALL::NMRStarFile::NMRAtomDataSet::parent_

protected

Definition at line 283 of file NMRStarFile.h.

reference

String BALL::NMRStarFile::NMRAtomDataSet::reference

Definition at line 277 of file NMRStarFile.h.

samples

std::vector<String> BALL::NMRStarFile::NMRAtomDataSet::samples

Definition at line 278 of file NMRStarFile.h.