#include <BALL/FORMAT/bruker1DFile.h>
Public Member Functions | |
Constructors and Destructors | |
Bruker1DFile () | |
Bruker1DFile (const String &name, OpenMode open_mode=std::ios::in|std::ios::binary) | |
virtual | ~Bruker1DFile () |
Destructor. | |
Accessors | |
void | read (const String &name) |
void | read () |
const RegularData1D & | getData () const |
const JCAMPFile::EntryMap & | getParameters () const |
const JCAMPFile::HeaderMap & | getHeader () const |
Protected Attributes | |
Size | min_ |
Size | max_ |
JCAMPFile | pars_ |
The parameters from the procs file. | |
RegularData1D | spectrum_ |
Private Member Functions | |
const Bruker1DFile & | operator= (const Bruker1DFile &file) |
Bruker 1D spectrum format. A class for handling Bruker one-dimensional NMR spectra.
Definition at line 22 of file bruker1DFile.h.
BALL::Bruker1DFile::Bruker1DFile | ( | ) |
Constructor
BALL::Bruker1DFile::Bruker1DFile | ( | const String & | name, | |
OpenMode | open_mode = std::ios::in|std::ios::binary | |||
) |
Constructor
name | important: name of the Bruker-*directory* |
Exception::FileNotFound | if the file could not be opened |
virtual BALL::Bruker1DFile::~Bruker1DFile | ( | ) | [virtual] |
Destructor.
const RegularData1D& BALL::Bruker1DFile::getData | ( | ) | const [inline] |
Return a pointer to the spectrum.
Definition at line 59 of file bruker1DFile.h.
const JCAMPFile::HeaderMap& BALL::Bruker1DFile::getHeader | ( | ) | const [inline] |
Definition at line 65 of file bruker1DFile.h.
const JCAMPFile::EntryMap& BALL::Bruker1DFile::getParameters | ( | ) | const [inline] |
Definition at line 62 of file bruker1DFile.h.
const Bruker1DFile& BALL::Bruker1DFile::operator= | ( | const Bruker1DFile & | file | ) | [private] |
void BALL::Bruker1DFile::read | ( | ) |
void BALL::Bruker1DFile::read | ( | const String & | name | ) |
Read a spectrum from name
. It will be stored in spectrum_
Size BALL::Bruker1DFile::max_ [protected] |
Definition at line 75 of file bruker1DFile.h.
Size BALL::Bruker1DFile::min_ [protected] |
Definition at line 74 of file bruker1DFile.h.
JCAMPFile BALL::Bruker1DFile::pars_ [protected] |
The parameters from the procs file.
Definition at line 78 of file bruker1DFile.h.
RegularData1D BALL::Bruker1DFile::spectrum_ [protected] |
Definition at line 80 of file bruker1DFile.h.