BALL
1.5.0
include
BALL
FORMAT
bruker2DFile.h
Go to the documentation of this file.
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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#ifndef BALL_FORMAT_BRUKER2DFILE_H
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#define BALL_FORMAT_BRUKER2DFILE_H
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#ifndef BALL_FORMAT_JCAMPFILE_H
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# include <
BALL/FORMAT/JCAMPFile.h
>
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#endif
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#ifndef BALL_DATATYPE_REGULARDATA2D_H
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# include <
BALL/DATATYPE/regularData2D.h
>
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#endif
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namespace
BALL
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{
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class
BALL_EXPORT
Bruker2DFile
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:
public
File
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{
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public
:
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Bruker2DFile
();
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Bruker2DFile
(
const
String
& name,
OpenMode
open_mode = std::ios::in | std::ios::binary);
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virtual
~Bruker2DFile
();
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void
read
();
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void
read
(
const
String
&name);
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const
RegularData2D
&
getData
()
const
{
return
spectrum_; }
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RegularData2D
&
getData
() {
return
spectrum_; }
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std::list<std::pair<int, int> >
getPeakList
()
const
;
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std::pair<double, double>
getShift
(
Position
x,
Position
y);
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std::pair<Position, Position>
getPosition
(
double
x,
double
y);
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void
setShiftRange
(
double
offsetf1,
double
offsetf2,
double
swidthf1,
double
swidthf2,
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double
bfreqf1,
double
bfreqf2,
double
spointnumf1,
double
spointnumf2);
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private
:
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const
Bruker2DFile
& operator = (
const
Bruker2DFile
& file);
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protected
:
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JCAMPFile
parsf1_
;
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JCAMPFile
parsf2_
;
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Size
minx_
;
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Size
maxx_
;
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Size
miny_
;
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Size
maxy_
;
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// To be replaced by regularData2D
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RegularData2D
dat_
;
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double
soffsetf1_
;
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double
soffsetf2_
;
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double
swidthf1_
;
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double
swidthf2_
;
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double
bfreqf1_
;
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double
bfreqf2_
;
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Size
spointnumf1_
;
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Size
spointnumf2_
;
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RegularData2D
spectrum_
;
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};
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}
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#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
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