BALL  1.5.0
bruker2DFile.h
Go to the documentation of this file.
1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 
5 #ifndef BALL_FORMAT_BRUKER2DFILE_H
6 #define BALL_FORMAT_BRUKER2DFILE_H
7 
8 #ifndef BALL_FORMAT_JCAMPFILE_H
9 # include <BALL/FORMAT/JCAMPFile.h>
10 #endif
11 
12 #ifndef BALL_DATATYPE_REGULARDATA2D_H
14 #endif
15 
16 namespace BALL
17 {
25  : public File
26  {
27  public:
28 
32 
37  Bruker2DFile(const String& name, OpenMode open_mode = std::ios::in | std::ios::binary);
38 
41  virtual ~Bruker2DFile();
42 
46  void read();
47 
51  void read(const String &name);
52 
54  const RegularData2D& getData() const { return spectrum_; }
56  RegularData2D& getData() { return spectrum_; }
57 
60  std::list<std::pair<int, int> > getPeakList() const;
61 
64  std::pair<double, double> getShift(Position x, Position y);
65 
68  std::pair<Position, Position> getPosition(double x, double y);
69 
72  void setShiftRange(double offsetf1, double offsetf2, double swidthf1, double swidthf2,
73  double bfreqf1, double bfreqf2, double spointnumf1, double spointnumf2);
74 
75  private:
76  const Bruker2DFile& operator = (const Bruker2DFile& file);
77 
78  protected:
82 
87 
88  // To be replaced by regularData2D
90  double soffsetf1_;
91  double soffsetf2_;
92  double swidthf1_;
93  double swidthf2_;
94  double bfreqf1_;
95  double bfreqf2_;
99  };
100 }
101 
102 #endif
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::Bruker2DFile::miny_
Size miny_
Definition: bruker2DFile.h:85
BALL::Bruker2DFile::parsf2_
JCAMPFile parsf2_
Definition: bruker2DFile.h:81
BALL::Bruker2DFile::dat_
RegularData2D dat_
Definition: bruker2DFile.h:89
BALL::Bruker2DFile::soffsetf1_
double soffsetf1_
Definition: bruker2DFile.h:90
BALL::Bruker2DFile::bfreqf2_
double bfreqf2_
Definition: bruker2DFile.h:95
BALL::Bruker2DFile::getData
RegularData2D & getData()
Definition: bruker2DFile.h:56
BALL::Bruker2DFile
Definition: bruker2DFile.h:26
BALL::TRegularData2D< float >
BALL::Bruker2DFile::Bruker2DFile
Bruker2DFile(const String &name, OpenMode open_mode=std::ios::in|std::ios::binary)
BALL::Bruker2DFile::spectrum_
RegularData2D spectrum_
Definition: bruker2DFile.h:98
BALL::Bruker2DFile::maxy_
Size maxy_
Definition: bruker2DFile.h:86
BALL::Bruker2DFile::maxx_
Size maxx_
Definition: bruker2DFile.h:84
BALL::Bruker2DFile::read
void read()
BALL::Bruker2DFile::getPosition
std::pair< Position, Position > getPosition(double x, double y)
BALL::Bruker2DFile::parsf1_
JCAMPFile parsf1_
These classes give access to the parameters used in aqcuiring the spectrum.
Definition: bruker2DFile.h:80
BALL::Bruker2DFile::spointnumf1_
Size spointnumf1_
Definition: bruker2DFile.h:96
BALL::Bruker2DFile::read
void read(const String &name)
BALL::String
Definition: string.h:57
BALL::Bruker2DFile::setShiftRange
void setShiftRange(double offsetf1, double offsetf2, double swidthf1, double swidthf2, double bfreqf1, double bfreqf2, double spointnumf1, double spointnumf2)
BALL
Definition: constants.h:13
BALL::Bruker2DFile::swidthf1_
double swidthf1_
Definition: bruker2DFile.h:92
BALL::JCAMPFile
Definition: JCAMPFile.h:30
BALL::File
Definition: file.h:136
BALL::File::OpenMode
std::ios::openmode OpenMode
Definition: file.h:165
BALL_SIZE_TYPE
BALL::Bruker2DFile::swidthf2_
double swidthf2_
Definition: bruker2DFile.h:93
BALL::Bruker2DFile::getPeakList
std::list< std::pair< int, int > > getPeakList() const
regularData2D.h
BALL::Bruker2DFile::minx_
Size minx_
Definition: bruker2DFile.h:83
BALL::Bruker2DFile::bfreqf1_
double bfreqf1_
Definition: bruker2DFile.h:94
BALL::Bruker2DFile::soffsetf2_
double soffsetf2_
Definition: bruker2DFile.h:91
BALL::Bruker2DFile::spointnumf2_
Size spointnumf2_
Definition: bruker2DFile.h:97
JCAMPFile.h
BALL::Bruker2DFile::getShift
std::pair< double, double > getShift(Position x, Position y)
BALL::Bruker2DFile::~Bruker2DFile
virtual ~Bruker2DFile()
BALL::Bruker2DFile::Bruker2DFile
Bruker2DFile()
BALL::Bruker2DFile::getData
const RegularData2D & getData() const
Return a reference to the spectrum.
Definition: bruker2DFile.h:54