BALL 1.5.0
bruker2DFile.h
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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
10#endif
11
12#ifndef BALL_DATATYPE_REGULARDATA2D_H
14#endif
15
16namespace 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
Definition: constants.h:13
const RegularData2D & getData() const
Return a reference to the spectrum.
Definition: bruker2DFile.h:54
void read(const String &name)
Bruker2DFile(const String &name, OpenMode open_mode=std::ios::in|std::ios::binary)
void setShiftRange(double offsetf1, double offsetf2, double swidthf1, double swidthf2, double bfreqf1, double bfreqf2, double spointnumf1, double spointnumf2)
RegularData2D & getData()
Definition: bruker2DFile.h:56
std::pair< double, double > getShift(Position x, Position y)
virtual ~Bruker2DFile()
JCAMPFile parsf1_
These classes give access to the parameters used in aqcuiring the spectrum.
Definition: bruker2DFile.h:80
RegularData2D dat_
Definition: bruker2DFile.h:89
std::pair< Position, Position > getPosition(double x, double y)
std::list< std::pair< int, int > > getPeakList() const
RegularData2D spectrum_
Definition: bruker2DFile.h:98
std::ios::openmode OpenMode
Definition: file.h:165
#define BALL_EXPORT
Definition: COMMON/global.h:50