5 #ifndef BALL_FORMAT_BRUKER2DFILE_H
6 #define BALL_FORMAT_BRUKER2DFILE_H
8 #ifndef BALL_FORMAT_JCAMPFILE_H
12 #ifndef BALL_DATATYPE_REGULARDATA2D_H
68 std::pair<Position, Position>
getPosition(
double x,
double y);
72 void setShiftRange(
double offsetf1,
double offsetf2,
double swidthf1,
double swidthf2,
73 double bfreqf1,
double bfreqf2,
double spointnumf1,
double spointnumf2);
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)
JCAMPFile parsf1_
These classes give access to the parameters used in aqcuiring the spectrum.
std::pair< double, double > getShift(Position x, Position y)
RegularData2D & getData()
const RegularData2D & getData() const
Return a reference to the spectrum.
std::pair< Position, Position > getPosition(double x, double y)
std::list< std::pair< int, int > > getPeakList() const
std::ios::openmode OpenMode