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OpenMS
2.4.0
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Helper class for fitting elution models to features. More...
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/ElutionModelFitter.h>
Public Member Functions | |
ElutionModelFitter () | |
Default constructor. More... | |
~ElutionModelFitter () override | |
Destructor. More... | |
void | fitElutionModels (FeatureMap &features) |
Fit models of elution profiles to all features (and validate them) More... | |
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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... | |
Protected Types | |
typedef FeatureFinderAlgorithmPickedHelperStructs::MassTrace | MassTrace |
typedef FeatureFinderAlgorithmPickedHelperStructs::MassTraces | MassTraces |
Protected Member Functions | |
double | calculateFitQuality_ (const TraceFitter *fitter, const MassTraces &traces) |
Calculate quality of model fit (mean relative error) More... | |
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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 | |
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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... | |
Helper class for fitting elution models to features.
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protected |
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protected |
Default constructor.
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override |
Destructor.
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protected |
Calculate quality of model fit (mean relative error)
void fitElutionModels | ( | FeatureMap & | features | ) |
Fit models of elution profiles to all features (and validate them)
Assumptions (not checked!):