#include <OpenMS/KERNEL/PickedPeak1D.h>
Extends Peak1D by members for peak-picking algorithms.
The intensity of a peak is defined as the maximum of the model fitted to the raw data during peak picking i.e. aproximately the height of the highest raw data point.
Public Member Functions | |
PickedPeak1D () | |
Default constructor. | |
PickedPeak1D (PickedPeak1D const &p) | |
Copy sontructor. | |
~PickedPeak1D () | |
Desctructor. | |
DoubleReal | getRValue () const |
Non-mutable access to the correlation coefficient between raw data and the peak model. | |
void | setRValue (DoubleReal r_value) |
Mutable access to the peak correlation coefficient between raw data and the peak model. | |
DoubleReal | getArea () const |
Non-mutable access to the peak area. | |
void | setArea (DoubleReal area) |
Mutable access to the peak area. | |
DoubleReal | getFWHM () const |
Non-mutable access to the peak FWHM. | |
void | setFWHM (DoubleReal fwhm) |
Mutable access to the peak FWHM. | |
DoubleReal | getLeftWidthParameter () const |
Non-mutable access to the width parameter of the left peak side. | |
void | setLeftWidthParameter (DoubleReal left_width_paramter) |
Mutable access to the width parameter of the left peak side. | |
DoubleReal | getRightWidthParameter () const |
Non-mutable access to the width parameter of the right peak side. | |
void | setRightWidthParameter (DoubleReal right_width_paramter) |
Mutable access to the width parameter of the right peak side. | |
const PeakShapeType::Enum & | getPeakShape () const |
Non-mutable access to the peak shape. | |
void | setPeakShape (const PeakShapeType::Enum &type) |
Mutable access to the peak shape. | |
Int | getCharge () const |
Non-mutable access to the peak charge. | |
void | setCharge (Int charge) |
Mutable access to the peak charge (Set to 0 if unknown). | |
DoubleReal | getSN () const |
Non-mutable access to the signal to noise value. | |
void | setSN (DoubleReal signal_to_noise) |
Mutable access to the the signal to noise value. | |
PickedPeak1D & | operator= (const PickedPeak1D &rhs) |
Assignment operator. | |
bool | operator== (const PickedPeak1D &rhs) const |
Equality operator. | |
bool | operator!= (const PickedPeak1D &rhs) const |
Equality operator. | |
DoubleReal | getSymmetricMeasure () const |
Returns the symmetry s of a peak with: (asymmetric peaks) 0 < s <= 1 (symmetric peaks). | |
DoubleReal | operator() (DoubleReal x) const |
Returns the value of the peak shape function at position x. | |
Protected Attributes | |
DoubleReal | r_value_ |
The correlation factor (degree how the raw data peak matches with a computed peak (lorentzian or sech). | |
DoubleReal | area_ |
The area. | |
DoubleReal | fwhm_ |
Full-width-at-half-max. | |
DoubleReal | left_width_paramter_ |
The function dependent left and right width parameter. | |
DoubleReal | right_width_paramter_ |
PeakShapeType::Enum | type_ |
The function that was used for fitting the peak shape. | |
Int | charge_ |
The peak charge. | |
DoubleReal | signal_to_noise_ |
The signal to noise value of the peak. | |
Classes | |
struct | WidthLess |
Comparator for the width. More... |
PickedPeak1D | ( | ) | [inline] |
Default constructor.
PickedPeak1D | ( | PickedPeak1D const & | p | ) | [inline] |
Copy sontructor.
~PickedPeak1D | ( | ) | [inline] |
Desctructor.
DoubleReal getRValue | ( | ) | const [inline] |
Non-mutable access to the correlation coefficient between raw data and the peak model.
void setRValue | ( | DoubleReal | r_value | ) | [inline] |
Mutable access to the peak correlation coefficient between raw data and the peak model.
DoubleReal getArea | ( | ) | const [inline] |
Non-mutable access to the peak area.
void setArea | ( | DoubleReal | area | ) | [inline] |
Mutable access to the peak area.
DoubleReal getFWHM | ( | ) | const [inline] |
Non-mutable access to the peak FWHM.
void setFWHM | ( | DoubleReal | fwhm | ) | [inline] |
Mutable access to the peak FWHM.
DoubleReal getLeftWidthParameter | ( | ) | const [inline] |
Non-mutable access to the width parameter of the left peak side.
void setLeftWidthParameter | ( | DoubleReal | left_width_paramter | ) | [inline] |
Mutable access to the width parameter of the left peak side.
DoubleReal getRightWidthParameter | ( | ) | const [inline] |
Non-mutable access to the width parameter of the right peak side.
void setRightWidthParameter | ( | DoubleReal | right_width_paramter | ) | [inline] |
Mutable access to the width parameter of the right peak side.
const PeakShapeType::Enum& getPeakShape | ( | ) | const [inline] |
Non-mutable access to the peak shape.
void setPeakShape | ( | const PeakShapeType::Enum & | type | ) | [inline] |
Mutable access to the peak shape.
Int getCharge | ( | ) | const [inline] |
Non-mutable access to the peak charge.
void setCharge | ( | Int | charge | ) | [inline] |
Mutable access to the peak charge (Set to 0 if unknown).
DoubleReal getSN | ( | ) | const [inline] |
Non-mutable access to the signal to noise value.
void setSN | ( | DoubleReal | signal_to_noise | ) | [inline] |
Mutable access to the the signal to noise value.
PickedPeak1D& operator= | ( | const PickedPeak1D & | rhs | ) | [inline] |
Assignment operator.
bool operator== | ( | const PickedPeak1D & | rhs | ) | const [inline] |
Equality operator.
bool operator!= | ( | const PickedPeak1D & | rhs | ) | const [inline] |
Equality operator.
DoubleReal getSymmetricMeasure | ( | ) | const [inline] |
Returns the symmetry s of a peak with: (asymmetric peaks) 0 < s <= 1 (symmetric peaks).
DoubleReal operator() | ( | DoubleReal | x | ) | const [inline] |
Returns the value of the peak shape function at position x.
DoubleReal r_value_ [protected] |
The correlation factor (degree how the raw data peak matches with a computed peak (lorentzian or sech).
DoubleReal area_ [protected] |
The area.
DoubleReal fwhm_ [protected] |
Full-width-at-half-max.
DoubleReal left_width_paramter_ [protected] |
The function dependent left and right width parameter.
DoubleReal right_width_paramter_ [protected] |
PeakShapeType::Enum type_ [protected] |
The function that was used for fitting the peak shape.
DoubleReal signal_to_noise_ [protected] |
The signal to noise value of the peak.
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