#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/IsotopeModel.h>
IsotopeModel Parameters are explained on a separate page.
Public Types | |
enum | Averagines { C = 0, H, N, O, S, AVERAGINE_NUM } |
typedef InterpolationModel::CoordinateType | CoordinateType |
typedef InterpolationModel::CoordinateType | IntensityType |
Public Member Functions | |
IsotopeModel () | |
Default constructor. | |
IsotopeModel (const IsotopeModel &source) | |
copy constructor | |
virtual | ~IsotopeModel () |
destructor | |
virtual IsotopeModel & | operator= (const IsotopeModel &source) |
assignment operator | |
UInt | getCharge () |
void | setOffset (CoordinateType offset) |
set the offset of the model | |
CoordinateType | getOffset () |
void | setSamples () |
set sample/supporting points of interpolation | |
CoordinateType | getCenter () const |
get the center of the Isotope model | |
Static Public Member Functions | |
static BaseModel< 1 > * | create () |
create new IsotopeModel object (needed by Factory) | |
static const String | getProductName () |
name of the model (needed by Factory) | |
Protected Member Functions | |
void | updateMembers_ () |
This method is used to update extra member variables at the end of the setParam() method. | |
Protected Attributes | |
CoordinateType | isotope_stdev_ |
UInt | charge_ |
CoordinateType | mean_ |
CoordinateType | monoisotopic_mz_ |
DoubleReal | averagine_ [AVERAGINE_NUM] |
Int | max_isotope_ |
DoubleReal | trim_right_cutoff_ |
DoubleReal | isotope_distance_ |
Reimplemented from InterpolationModel.
Reimplemented from InterpolationModel.
enum Averagines |
IsotopeModel | ( | ) |
Default constructor.
IsotopeModel | ( | const IsotopeModel & | source | ) |
copy constructor
virtual ~IsotopeModel | ( | ) | [virtual] |
destructor
virtual IsotopeModel& operator= | ( | const IsotopeModel & | source | ) | [virtual] |
assignment operator
UInt getCharge | ( | ) |
static BaseModel<1>* create | ( | ) | [inline, static] |
create new IsotopeModel object (needed by Factory)
void setOffset | ( | CoordinateType | offset | ) |
set the offset of the model
The whole model will be shifted to the new offset without being computing all over. This leaves a discrepancy which is minor in small shifts (i.e. shifting by one or two standard deviations) but can get significant otherwise. In that case use setParameters() which enforces a recomputation of the model.
CoordinateType getOffset | ( | ) |
void setSamples | ( | ) | [virtual] |
CoordinateType getCenter | ( | ) | const [virtual] |
get the center of the Isotope model
This is a m/z-value not necessarily the monoisotopic mass.
Implements InterpolationModel.
void updateMembers_ | ( | ) | [protected, virtual] |
This method is used to update extra member variables at the end of the setParam() method.
Also call it at the end of the derived classes' copy constructor and assignment operator.
The default implementation is empty.
Reimplemented from InterpolationModel.
CoordinateType isotope_stdev_ [protected] |
CoordinateType mean_ [protected] |
CoordinateType monoisotopic_mz_ [protected] |
DoubleReal averagine_[AVERAGINE_NUM] [protected] |
Int max_isotope_ [protected] |
DoubleReal trim_right_cutoff_ [protected] |
DoubleReal isotope_distance_ [protected] |
Generated Tue Apr 1 15:36:47 2008 -- using doxygen 1.5.4 | OpenMS / TOPP 1.1 |