BALL::NMRStarFile::NMRAtomDataSet Class Reference

#include <BALL/FORMAT/NMRStarFile.h>

List of all members.

Public Member Functions
	NMRAtomDataSet (NMRStarFile *parent)
std::ostream &	operator>> (std::ostream &s)
	NMRAtomDataSet ()
std::ostream &	operator>> (std::ostream &s)
Public Attributes
String	name
std::vector< NMRAtomData >	atom_data
String	condition
String	reference
std::vector< String >	samples
SampleCondition	condition
ShiftReferenceSet	reference
Protected Attributes
NMRStarFile *	parent_

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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.

NMRAtomDataSet This class ... TODO!!

Definition at line 219 of file NMRStarFile.h.

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Constructor & Destructor Documentation

BALL::NMRStarFile::NMRAtomDataSet::NMRAtomDataSet

(

NMRStarFile *

parent

)

BALL::NMRStarFile::NMRAtomDataSet::NMRAtomDataSet

(

)

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Member Function Documentation

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

(

std::ostream &

s

)

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

(

std::ostream &

s

)

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Member Data Documentation

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

Definition at line 225 of file NMRStarFile.h.

SampleCondition BALL::NMRStarFile::NMRAtomDataSet::condition

Definition at line 122 of file NMRStarFile.h.REMOTE.23414.h.

String BALL::NMRStarFile::NMRAtomDataSet::condition

Definition at line 226 of file NMRStarFile.h.

String BALL::NMRStarFile::NMRAtomDataSet::name

Definition at line 224 of file NMRStarFile.h.

NMRStarFile* BALL::NMRStarFile::NMRAtomDataSet::parent_ [protected]

Definition at line 233 of file NMRStarFile.h.

ShiftReferenceSet BALL::NMRStarFile::NMRAtomDataSet::reference

Definition at line 123 of file NMRStarFile.h.REMOTE.23414.h.

String BALL::NMRStarFile::NMRAtomDataSet::reference

Definition at line 227 of file NMRStarFile.h.

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

Definition at line 228 of file NMRStarFile.h.