Internal representation of a peak shape (used by the PeakPickerCWT) More...
#include <OpenMS/TRANSFORMATIONS/RAW2PEAK/PeakShape.h>
| Classes | |
| class | PositionLess | 
| Comparison of mz_positions.  More... | |
| Public Types | |
| enum | Type { LORENTZ_PEAK, SECH_PEAK, UNDEFINED } | 
| Peak shape type (asymmetric lorentzian or asymmetric hyperbolic secans squared).  More... | |
| typedef MSSpectrum::const_iterator | PeakIterator | 
| Iterator to the raw data vector.  More... | |
| Public Member Functions | |
| PeakShape () | |
| Default constructor.  More... | |
| PeakShape (DoubleReal height_, DoubleReal mz_position_, DoubleReal left_width_, DoubleReal right_width_, DoubleReal area_, PeakIterator left_, PeakIterator right_, Type type_) | |
| Constructor that sets most of the members.  More... | |
| PeakShape (DoubleReal height_, DoubleReal mz_position_, DoubleReal left_width_, DoubleReal right_width_, DoubleReal area_, Type type_) | |
| Constructor that sets most of the members.  More... | |
| PeakShape (const PeakShape &rhs) | |
| Copy constructor.  More... | |
| virtual | ~PeakShape () | 
| Destructor.  More... | |
| PeakShape & | operator= (const PeakShape &rhs) | 
| Assignment operator.  More... | |
| bool | operator== (const PeakShape &rhs) const | 
| bool | operator!= (const PeakShape &rhs) const | 
| DoubleReal | operator() (DoubleReal x) const | 
| Compute the intensity of the peaks shape at position x.  More... | |
| DoubleReal | getSymmetricMeasure () const | 
| Computes symmetry measure of the peak shape, which is corresponds to th ratio of the left and right width parameters.  More... | |
| DoubleReal | getFWHM () const | 
| Estimates the full width at half maximum.  More... | |
| bool | iteratorsSet () const | 
| Check if endpoint iterators.  More... | |
| PeakIterator | getLeftEndpoint () const | 
| void | setLeftEndpoint (PeakIterator left_endpoint) | 
| PeakIterator | getRightEndpoint () const | 
| void | setRightEndpoint (PeakIterator right_endpoint) | 
| Public Attributes | |
| DoubleReal | height | 
| Maximum intensity of the peak shape.  More... | |
| DoubleReal | mz_position | 
| Centroid position.  More... | |
| DoubleReal | left_width | 
| Left width parameter.  More... | |
| DoubleReal | right_width | 
| Right width parameter.  More... | |
| DoubleReal | area | 
| Area of the peak shape.  More... | |
| DoubleReal | r_value | 
| Correlation coefficient.  More... | |
| DoubleReal | signal_to_noise | 
| The signal to noise ratio at the mz_position.  More... | |
| Type | type | 
| peak shape type  More... | |
| Protected Attributes | |
| PeakIterator | left_endpoint_ | 
| Left peak endpoint in the data.  More... | |
| PeakIterator | right_endpoint_ | 
| Right peak endpoint in the data.  More... | |
| MSSpectrum | exp_ | 
| Needed for initialisation of endpoint iterators.  More... | |
| bool | left_iterator_set_ | 
| flag if left endpoint iterator differs from default value  More... | |
| bool | right_iterator_set_ | 
| flag if left endpoint iterator differs from default value  More... | |
Internal representation of a peak shape (used by the PeakPickerCWT)
It defines an asymmetric lorentzian and asymmetric hyperbolic squared secan function.
| typedef MSSpectrum ::const_iterator PeakIterator | 
Iterator to the raw data vector.
| enum Type | 
Peak shape type (asymmetric lorentzian or asymmetric hyperbolic secans squared).
The peak shape can represent an asymmetric lorentzian function, given by
l(x) = height/(1.+pow(left_width*(x - mz_position), 2)) (x<=mz_position)
l(x) = height/(1.+pow(right_width*(x - mz_position), 2)) (x>mz_position)
or an asymmetric hyperbolic secans squared function
s(x) = height/pow(cosh(left_width*(x-mz_position)), 2) (x<=mz_position)
s(x) = height/pow(cosh(right_width*(x-mz_position)), 2) (x>mz_position)
| Enumerator | |
|---|---|
| LORENTZ_PEAK | |
| SECH_PEAK | |
| UNDEFINED | |
| 
 | inline | 
Default constructor.
| PeakShape | ( | DoubleReal | height_, | 
| DoubleReal | mz_position_, | ||
| DoubleReal | left_width_, | ||
| DoubleReal | right_width_, | ||
| DoubleReal | area_, | ||
| PeakIterator | left_, | ||
| PeakIterator | right_, | ||
| Type | type_ | ||
| ) | 
Constructor that sets most of the members.
| PeakShape | ( | DoubleReal | height_, | 
| DoubleReal | mz_position_, | ||
| DoubleReal | left_width_, | ||
| DoubleReal | right_width_, | ||
| DoubleReal | area_, | ||
| Type | type_ | ||
| ) | 
Constructor that sets most of the members.
| 
 | inlinevirtual | 
Destructor.
| DoubleReal getFWHM | ( | ) | const | 
Estimates the full width at half maximum.
| PeakIterator getLeftEndpoint | ( | ) | const | 
| PeakIterator getRightEndpoint | ( | ) | const | 
| DoubleReal getSymmetricMeasure | ( | ) | const | 
Computes symmetry measure of the peak shape, which is corresponds to th ratio of the left and right width parameters.
| bool iteratorsSet | ( | ) | const | 
Check if endpoint iterators.
| bool operator!= | ( | const PeakShape & | rhs | ) | const | 
| DoubleReal operator() | ( | DoubleReal | x | ) | const | 
Compute the intensity of the peaks shape at position x.
| bool operator== | ( | const PeakShape & | rhs | ) | const | 
| void setLeftEndpoint | ( | PeakIterator | left_endpoint | ) | 
| void setRightEndpoint | ( | PeakIterator | right_endpoint | ) | 
| DoubleReal area | 
Area of the peak shape.
| 
 | protected | 
Needed for initialisation of endpoint iterators.
| DoubleReal height | 
Maximum intensity of the peak shape.
Referenced by TwoDOptimization::optimizeRegionsScanwise_().
| 
 | protected | 
Left peak endpoint in the data.
| 
 | protected | 
flag if left endpoint iterator differs from default value
| DoubleReal left_width | 
Left width parameter.
Referenced by TwoDOptimization::optimizeRegionsScanwise_().
| DoubleReal mz_position | 
Centroid position.
Referenced by PeakShape::PositionLess::operator()(), and TwoDOptimization::optimizeRegionsScanwise_().
| DoubleReal r_value | 
Correlation coefficient.
It represents the squared pearson correlation coefficient with the original data (0 <= r_value <= 1).
| 
 | protected | 
Right peak endpoint in the data.
| 
 | protected | 
flag if left endpoint iterator differs from default value
| DoubleReal right_width | 
Right width parameter.
Referenced by TwoDOptimization::optimizeRegionsScanwise_().
| DoubleReal signal_to_noise | 
The signal to noise ratio at the mz_position.
| Type type | 
peak shape type
| OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:35 using doxygen 1.8.5 |