BALL 1.5.0
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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 239 of file NMRStarFile.h.

Constructor & Destructor Documentation

◆ NMRAtomData()

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

Member Function Documentation

◆ operator==()

bool BALL::NMRStarFile::NMRAtomData::operator== ( const NMRAtomData atom) const

◆ operator>>()

std::ostream & BALL::NMRStarFile::NMRAtomData::operator>> ( std::ostream &  s)

Member Data Documentation

◆ ambiguity_code

Position BALL::NMRStarFile::NMRAtomData::ambiguity_code

Definition at line 251 of file NMRStarFile.h.

◆ atom_ID

Position BALL::NMRStarFile::NMRAtomData::atom_ID

Definition at line 244 of file NMRStarFile.h.

◆ atom_name

String BALL::NMRStarFile::NMRAtomData::atom_name

Definition at line 247 of file NMRStarFile.h.

◆ atom_type

char BALL::NMRStarFile::NMRAtomData::atom_type

Definition at line 248 of file NMRStarFile.h.

◆ error_value

float BALL::NMRStarFile::NMRAtomData::error_value

Definition at line 250 of file NMRStarFile.h.

◆ residue_label

String BALL::NMRStarFile::NMRAtomData::residue_label

Definition at line 246 of file NMRStarFile.h.

◆ residue_seq_code

Position BALL::NMRStarFile::NMRAtomData::residue_seq_code

Definition at line 245 of file NMRStarFile.h.

◆ shift_value

float BALL::NMRStarFile::NMRAtomData::shift_value

Definition at line 249 of file NMRStarFile.h.