OpenMS
Fitter1D Class Reference

Abstract base class for all 1D-dimensional model fitter. More...

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/Fitter1D.h>

Inheritance diagram for Fitter1D:
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Collaboration diagram for Fitter1D:
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Public Types

typedef IsotopeCluster::IndexSet IndexSet
 IndexSet. More...
 
typedef IsotopeCluster::ChargedIndexSet ChargedIndexSet
 IndexSet with charge information. More...
 
typedef Feature::CoordinateType CoordinateType
 Single coordinate. More...
 
typedef Feature::QualityType QualityType
 Quality of a feature. More...
 
typedef Peak1D PeakType
 Peak type data point type. More...
 
typedef std::vector< PeakTypeRawDataArrayType
 Peak type data container type using for the temporary storage of the input data. More...
 
typedef RawDataArrayType::iterator PeakIterator
 Peak type data iterator. More...
 
- Public Types inherited from FeatureFinderDefs
enum  Flag { UNUSED , USED }
 Flags that indicate if a peak is already used in a feature. More...
 
typedef IsotopeCluster::IndexPair IndexPair
 Index to peak consisting of two UInts (scan index / peak index) More...
 
typedef IsotopeCluster::ChargedIndexSet ChargedIndexSet
 Index to peak consisting of two UInts (scan index / peak index) with charge information. More...
 
typedef IsotopeCluster::IndexSet IndexSet
 A set of peak indices. More...
 

Public Member Functions

 Fitter1D ()
 Default constructor. More...
 
 Fitter1D (const Fitter1D &source)
 copy constructor More...
 
 ~Fitter1D () override
 destructor More...
 
Fitter1Doperator= (const Fitter1D &source)
 assignment operator More...
 
virtual QualityType fit1d (const RawDataArrayType &, std::unique_ptr< InterpolationModel > &)
 return interpolation model More...
 
- Public Member Functions inherited from DefaultParamHandler
 DefaultParamHandler (const String &name)
 Constructor with name that is displayed in error messages. More...
 
 DefaultParamHandler (const DefaultParamHandler &rhs)
 Copy constructor. More...
 
virtual ~DefaultParamHandler ()
 Destructor. More...
 
DefaultParamHandleroperator= (const DefaultParamHandler &rhs)
 Assignment operator. More...
 
virtual bool operator== (const DefaultParamHandler &rhs) const
 Equality operator. More...
 
void setParameters (const Param &param)
 Sets the parameters. More...
 
const ParamgetParameters () const
 Non-mutable access to the parameters. More...
 
const ParamgetDefaults () const
 Non-mutable access to the default parameters. More...
 
const StringgetName () const
 Non-mutable access to the name. More...
 
void setName (const String &name)
 Mutable access to the name. More...
 
const std::vector< String > & getSubsections () const
 Non-mutable access to the registered subsections. More...
 

Static Public Member Functions

static void registerChildren ()
 register all derived classes here More...
 
- Static Public Member Functions inherited from DefaultParamHandler
static void writeParametersToMetaValues (const Param &write_this, MetaInfoInterface &write_here, const String &key_prefix="")
 Writes all parameters to meta values. More...
 

Protected Member Functions

void updateMembers_ () override
 This method is used to update extra member variables at the end of the setParameters() method. More...
 
- Protected Member Functions inherited from DefaultParamHandler
void defaultsToParam_ ()
 Updates the parameters after the defaults have been set in the constructor. More...
 

Protected Attributes

CoordinateType tolerance_stdev_box_
 standard derivation in bounding box More...
 
Math::BasicStatistics statistics_
 basic statistics More...
 
CoordinateType interpolation_step_
 interpolation step size More...
 
- Protected Attributes inherited from DefaultParamHandler
Param param_
 Container for current parameters. More...
 
Param defaults_
 Container for default parameters. This member should be filled in the constructor of derived classes! More...
 
std::vector< Stringsubsections_
 Container for registered subsections. This member should be filled in the constructor of derived classes! More...
 
String error_name_
 Name that is displayed in error messages during the parameter checking. More...
 
bool check_defaults_
 If this member is set to false no checking if parameters in done;. More...
 
bool warn_empty_defaults_
 If this member is set to false no warning is emitted when defaults are empty;. More...
 

Detailed Description

Abstract base class for all 1D-dimensional model fitter.

Every derived class has to implement the static functions "T* create()" and "const String getProductName()" (see DefaultParamHandler for details)

Parameters of this class are:

NameTypeDefaultRestrictionsDescription
interpolation_step float0.2  Sampling rate for the interpolation of the model function.
tolerance_stdev_bounding_box float3.0  Bounding box has range [minimim of data, maximum of data] enlarged by tolerance_stdev_bounding_box times the standard deviation of the data.
statistics:mean float1.0  Centroid position of the model.
statistics:variance float1.0  The variance of the model.

Note:
  • If a section name is documented, the documentation is displayed as tooltip.
  • Advanced parameter names are italic.

Member Typedef Documentation

◆ ChargedIndexSet

IndexSet with charge information.

◆ CoordinateType

Single coordinate.

◆ IndexSet

◆ PeakIterator

typedef RawDataArrayType::iterator PeakIterator

Peak type data iterator.

◆ PeakType

typedef Peak1D PeakType

Peak type data point type.

◆ QualityType

Quality of a feature.

◆ RawDataArrayType

typedef std::vector<PeakType> RawDataArrayType

Peak type data container type using for the temporary storage of the input data.

Constructor & Destructor Documentation

◆ Fitter1D() [1/2]

Fitter1D ( )

Default constructor.

◆ Fitter1D() [2/2]

Fitter1D ( const Fitter1D source)

copy constructor

◆ ~Fitter1D()

~Fitter1D ( )
override

destructor

Member Function Documentation

◆ fit1d()

virtual QualityType fit1d ( const RawDataArrayType ,
std::unique_ptr< InterpolationModel > &   
)
virtual

return interpolation model

Reimplemented in IsotopeFitter1D, GaussFitter1D, ExtendedIsotopeFitter1D, EmgFitter1D, BiGaussFitter1D, and EGHFitter1D.

◆ operator=()

Fitter1D& operator= ( const Fitter1D source)

assignment operator

Referenced by LevMarqFitter1D::operator=(), and MaxLikeliFitter1D::operator=().

◆ registerChildren()

static void registerChildren ( )
static

register all derived classes here

◆ updateMembers_()

void updateMembers_ ( )
overrideprotectedvirtual

This method is used to update extra member variables at the end of the setParameters() method.

Also call it at the end of the derived classes' copy constructor and assignment operator.

The default implementation is empty.

Reimplemented from DefaultParamHandler.

Reimplemented in MaxLikeliFitter1D, LevMarqFitter1D, IsotopeFitter1D, and GaussFitter1D.

Member Data Documentation

◆ interpolation_step_

CoordinateType interpolation_step_
protected

interpolation step size

◆ statistics_

Math::BasicStatistics statistics_
protected

basic statistics

◆ tolerance_stdev_box_

CoordinateType tolerance_stdev_box_
protected

standard derivation in bounding box