OpenMS
2.7.0
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Similarity score of Zhang. More...
#include <OpenMS/COMPARISON/SPECTRA/ZhangSimilarityScore.h>
Public Member Functions | |
ZhangSimilarityScore () | |
default constructor More... | |
ZhangSimilarityScore (const ZhangSimilarityScore &source) | |
copy constructor More... | |
~ZhangSimilarityScore () override | |
destructor More... | |
ZhangSimilarityScore & | operator= (const ZhangSimilarityScore &source) |
assignment operator More... | |
double | operator() (const PeakSpectrum &spec1, const PeakSpectrum &spec2) const override |
function call operator, calculates the similarity More... | |
double | operator() (const PeakSpectrum &spec) const override |
calculates self similarity More... | |
Public Member Functions inherited from PeakSpectrumCompareFunctor | |
PeakSpectrumCompareFunctor () | |
default constructor More... | |
PeakSpectrumCompareFunctor (const PeakSpectrumCompareFunctor &source) | |
copy constructor More... | |
~PeakSpectrumCompareFunctor () override | |
destructor More... | |
PeakSpectrumCompareFunctor & | operator= (const PeakSpectrumCompareFunctor &source) |
assignment operator 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... | |
virtual DefaultParamHandler & | operator= (const DefaultParamHandler &rhs) |
Assignment operator. More... | |
virtual bool | operator== (const DefaultParamHandler &rhs) const |
Equality operator. More... | |
void | setParameters (const Param ¶m) |
Sets the parameters. More... | |
const Param & | getParameters () const |
Non-mutable access to the parameters. More... | |
const Param & | getDefaults () const |
Non-mutable access to the default parameters. More... | |
const String & | getName () 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 PeakSpectrumCompareFunctor * | create () |
static const String | getProductName () |
Static Public Member Functions inherited from PeakSpectrumCompareFunctor | |
static void | registerChildren () |
registers all derived products More... | |
static const String | getProductName () |
Static Public Member Functions inherited from DefaultParamHandler | |
static void | writeParametersToMetaValues (const Param &write_this, MetaInfoInterface &write_here, const String &prefix="") |
Writes all parameters to meta values. More... | |
Protected Member Functions | |
double | getFactor_ (double mz_tolerance, double mz_difference, bool is_gaussian=false) const |
returns the factor associated with the m/z tolerance and m/z difference of the peaks More... | |
Protected Member Functions inherited from DefaultParamHandler | |
virtual void | updateMembers_ () |
This method is used to update extra member variables at the end of the setParameters() method. More... | |
void | defaultsToParam_ () |
Updates the parameters after the defaults have been set in the constructor. More... | |
Additional Inherited Members | |
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< String > | subsections_ |
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... | |
Similarity score of Zhang.
The details of the score can be found in: Z. Zhang, Prediction of Low-Energy Collision-Induced Dissociation Spectra of Peptides, Anal. Chem., 76 (14), 3908 - 3922, 2004
Parameters of this class are:Name | Type | Default | Restrictions | Description |
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tolerance | float | 0.2 | defines the absolute (in Da) or relative (in ppm) tolerance | |
is_relative_tolerance | string | false | true, false | If set to true, the tolerance is interpreted as relative |
use_linear_factor | string | false | true, false | if true, the intensities are weighted with the relative m/z difference |
use_gaussian_factor | string | false | true, false | if true, the intensities are weighted with the relative m/z difference using a gaussian |
default constructor
ZhangSimilarityScore | ( | const ZhangSimilarityScore & | source | ) |
copy constructor
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override |
destructor
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inlinestatic |
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protected |
returns the factor associated with the m/z tolerance and m/z difference of the peaks
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inlinestatic |
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overridevirtual |
calculates self similarity
Implements PeakSpectrumCompareFunctor.
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overridevirtual |
function call operator, calculates the similarity
Implements PeakSpectrumCompareFunctor.
ZhangSimilarityScore& operator= | ( | const ZhangSimilarityScore & | source | ) |
assignment operator