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bruker2DFile.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#ifndef BALL_FORMAT_BRUKER2DFILE_H
#define BALL_FORMAT_BRUKER2DFILE_H
#ifndef BALL_FORMAT_JCAMPFILE_H
# include <BALL/FORMAT/JCAMPFile.h>
#endif
#ifndef BALL_DATATYPE_REGULARDATA2D_H
# include <BALL/DATATYPE/regularData2D.h>
#endif
namespace BALL
{
class BALL_EXPORT Bruker2DFile
: public File
{
public:
Bruker2DFile();
Bruker2DFile(const String& name, OpenMode open_mode = std::ios::in | std::ios::binary);
virtual ~Bruker2DFile();
void read();
void read(const String &name);
const RegularData2D& getData() const { return spectrum_; }
RegularData2D& getData() { return spectrum_; }
std::list<std::pair<int, int> > getPeakList() const;
std::pair<double, double> getShift(Position x, Position y);
std::pair<Position, Position> getPosition(double x, double y);
void setShiftRange(double offsetf1, double offsetf2, double swidthf1, double swidthf2,
double bfreqf1, double bfreqf2, double spointnumf1, double spointnumf2);
private:
const Bruker2DFile& operator = (const Bruker2DFile& file);
protected:
JCAMPFile parsf1_;
JCAMPFile parsf2_;
Size minx_;
Size maxx_;
Size miny_;
Size maxy_;
// To be replaced by regularData2D
RegularData2D dat_;
double soffsetf1_;
double soffsetf2_;
double swidthf1_;
double swidthf2_;
double bfreqf1_;
double bfreqf2_;
Size spointnumf1_;
Size spointnumf2_;
RegularData2D spectrum_;
};
}
#endif
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
JCAMPFile.h
BALL::Bruker2DFile::bfreqf2_
double bfreqf2_
Definition bruker2DFile.h:95
BALL::Bruker2DFile::getData
const RegularData2D & getData() const
Return a reference to the spectrum.
Definition bruker2DFile.h:54
BALL::Bruker2DFile::read
void read(const String &name)
BALL::Bruker2DFile::bfreqf1_
double bfreqf1_
Definition bruker2DFile.h:94
BALL::Bruker2DFile::Bruker2DFile
Bruker2DFile(const String &name, OpenMode open_mode=std::ios::in|std::ios::binary)
BALL::Bruker2DFile::soffsetf1_
double soffsetf1_
Definition bruker2DFile.h:90
BALL::Bruker2DFile::setShiftRange
void setShiftRange(double offsetf1, double offsetf2, double swidthf1, double swidthf2, double bfreqf1, double bfreqf2, double spointnumf1, double spointnumf2)
BALL::Bruker2DFile::getData
RegularData2D & getData()
Definition bruker2DFile.h:56
BALL::Bruker2DFile::getShift
std::pair< double, double > getShift(Position x, Position y)
BALL::Bruker2DFile::spointnumf2_
Size spointnumf2_
Definition bruker2DFile.h:97
BALL::Bruker2DFile::~Bruker2DFile
virtual ~Bruker2DFile()
BALL::Bruker2DFile::parsf1_
JCAMPFile parsf1_
These classes give access to the parameters used in aqcuiring the spectrum.
Definition bruker2DFile.h:80
BALL::Bruker2DFile::dat_
RegularData2D dat_
Definition bruker2DFile.h:89
BALL::Bruker2DFile::swidthf1_
double swidthf1_
Definition bruker2DFile.h:92
BALL::Bruker2DFile::minx_
Size minx_
Definition bruker2DFile.h:83
BALL::Bruker2DFile::getPosition
std::pair< Position, Position > getPosition(double x, double y)
BALL::Bruker2DFile::spointnumf1_
Size spointnumf1_
Definition bruker2DFile.h:96
BALL::Bruker2DFile::getPeakList
std::list< std::pair< int, int > > getPeakList() const
BALL::Bruker2DFile::Bruker2DFile
Bruker2DFile()
BALL::Bruker2DFile::parsf2_
JCAMPFile parsf2_
Definition bruker2DFile.h:81
BALL::Bruker2DFile::read
void read()
BALL::Bruker2DFile::maxx_
Size maxx_
Definition bruker2DFile.h:84
BALL::Bruker2DFile::maxy_
Size maxy_
Definition bruker2DFile.h:86
BALL::Bruker2DFile::spectrum_
RegularData2D spectrum_
Definition bruker2DFile.h:98
BALL::Bruker2DFile::swidthf2_
double swidthf2_
Definition bruker2DFile.h:93
BALL::Bruker2DFile::miny_
Size miny_
Definition bruker2DFile.h:85
BALL::Bruker2DFile::soffsetf2_
double soffsetf2_
Definition bruker2DFile.h:91
BALL::File::File
File()
BALL::File::OpenMode
std::ios::openmode OpenMode
Definition file.h:165
BALL::JCAMPFile
Definition JCAMPFile.h:30
BALL::String
Definition string.h:57
BALL
Definition constants.h:13
BALL::RegularData2D
TRegularData2D< float > RegularData2D
Definition regularData2D.h:414
BALL::Size
BALL_SIZE_TYPE Size
Definition COMMON/global.h:114
BALL::Position
BALL_SIZE_TYPE Position
Definition COMMON/global.h:140
regularData2D.h