BALL::NMRStarFile::NMRAtomData Class Reference

#include <BALL/FORMAT/NMRStarFile.h>

List of all members.

Public Member Functions
	NMRAtomData ()
bool	operator== (const NMRAtomData &atom) const
std::ostream &	operator>> (std::ostream &s)
	NMRAtomData ()
std::ostream &	operator>> (std::ostream &s) throw ()
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.

name nested Data classes. These classes represent the data extracted from NMR-Star-Files. NMRAtomData This class includes all information for one atom delivered by a NMR-Star-File. All members are public for easy access.

Definition at line 191 of file NMRStarFile.h.

---

Constructor & Destructor Documentation

BALL::NMRStarFile::NMRAtomData::NMRAtomData

(

)

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

)

throw ()

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

(

std::ostream &

s

)

---

Member Data Documentation

Position BALL::NMRStarFile::NMRAtomData::ambiguity_code

Definition at line 203 of file NMRStarFile.h.

Position BALL::NMRStarFile::NMRAtomData::atom_ID

Definition at line 196 of file NMRStarFile.h.

String BALL::NMRStarFile::NMRAtomData::atom_name

Definition at line 199 of file NMRStarFile.h.

char BALL::NMRStarFile::NMRAtomData::atom_type

Definition at line 200 of file NMRStarFile.h.

float BALL::NMRStarFile::NMRAtomData::error_value

Definition at line 202 of file NMRStarFile.h.

String BALL::NMRStarFile::NMRAtomData::residue_label

Definition at line 198 of file NMRStarFile.h.

Position BALL::NMRStarFile::NMRAtomData::residue_seq_code

Definition at line 197 of file NMRStarFile.h.

float BALL::NMRStarFile::NMRAtomData::shift_value

Definition at line 201 of file NMRStarFile.h.