BALL  1.4.1
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Public Member Functions | Public Attributes | List of all members
BALL::NMRStarFile::NMRAtomData Class Reference

#include <BALL/FORMAT/NMRStarFile.h>

Public Member Functions

 NMRAtomData ()
bool operator== (const NMRAtomData &atom) const
std::ostream & operator>> (std::ostream &s)

Public Attributes

Position atom_ID
Position residue_seq_code
String residue_label
String atom_name
char atom_type
float shift_value
float error_value
Position ambiguity_code

Detailed Description

NMRAtomData This class includes all information for one atom delivered by a NMRStar file. All members are public for easy access.

Definition at line 243 of file NMRStarFile.h.

Constructor & Destructor Documentation

BALL::NMRStarFile::NMRAtomData::NMRAtomData ( )

Member Function Documentation

bool BALL::NMRStarFile::NMRAtomData::operator== ( const NMRAtomData atom) const
std::ostream& BALL::NMRStarFile::NMRAtomData::operator>> ( std::ostream &  s)

Member Data Documentation

Position BALL::NMRStarFile::NMRAtomData::ambiguity_code

Definition at line 255 of file NMRStarFile.h.

Position BALL::NMRStarFile::NMRAtomData::atom_ID

Definition at line 248 of file NMRStarFile.h.

String BALL::NMRStarFile::NMRAtomData::atom_name

Definition at line 251 of file NMRStarFile.h.

char BALL::NMRStarFile::NMRAtomData::atom_type

Definition at line 252 of file NMRStarFile.h.

float BALL::NMRStarFile::NMRAtomData::error_value

Definition at line 254 of file NMRStarFile.h.

String BALL::NMRStarFile::NMRAtomData::residue_label

Definition at line 250 of file NMRStarFile.h.

Position BALL::NMRStarFile::NMRAtomData::residue_seq_code

Definition at line 249 of file NMRStarFile.h.

float BALL::NMRStarFile::NMRAtomData::shift_value

Definition at line 253 of file NMRStarFile.h.