#include <OpenMS/ANALYSIS/ID/MetaboliteSpectralMatching.h>
Inheritance diagram for MetaboliteSpectralMatching:
Public Member Functions | |
| MetaboliteSpectralMatching () | |
| Default constructor. More... | |
| virtual | ~MetaboliteSpectralMatching () |
| Default destructor. More... | |
| double | computeHyperScore (MSSpectrum, MSSpectrum, const double &, const double &) |
| hyperscore computation More... | |
| void | run (PeakMap &, PeakMap &, MzTab &) |
| main method of MetaboliteSpectralMatching 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... | |
| Public Member Functions inherited from ProgressLogger | |
| ProgressLogger () | |
| Constructor. More... | |
| ~ProgressLogger () | |
| Destructor. More... | |
| ProgressLogger (const ProgressLogger &other) | |
| Copy constructor. More... | |
| ProgressLogger & | operator= (const ProgressLogger &other) |
| Assignment Operator. More... | |
| void | setLogType (LogType type) const |
| Sets the progress log that should be used. The default type is NONE! More... | |
| LogType | getLogType () const |
| Returns the type of progress log being used. More... | |
| void | startProgress (SignedSize begin, SignedSize end, const String &label) const |
| Initializes the progress display. More... | |
| void | setProgress (SignedSize value) const |
| Sets the current progress. More... | |
| void | endProgress () const |
| Ends the progress display. More... | |
Protected Member Functions | |
| virtual void | updateMembers_ () |
| 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... | |
Private Member Functions | |
| void | exportMzTab_ (const std::vector< SpectralMatch > &, MzTab &) |
| private member functions More... | |
Private Attributes | |
| double | precursor_mz_error_ |
| double | fragment_mz_error_ |
| String | mz_error_unit_ |
| String | ion_mode_ |
| String | report_mode_ |
Additional Inherited Members | |
| Public Types inherited from ProgressLogger | |
| enum | LogType { CMD, GUI, NONE } |
| Possible log types. More... | |
| Static Protected Member Functions inherited from ProgressLogger | |
| static String | logTypeToFactoryName_ (LogType type) |
| Return the name of the factory product used for this log type. 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< 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... | |
| Protected Attributes inherited from ProgressLogger | |
| LogType | type_ |
| time_t | last_invoke_ |
| ProgressLoggerImpl * | current_logger_ |
| Static Protected Attributes inherited from ProgressLogger | |
| static int | recursion_depth_ |
Constructor & Destructor Documentation
◆ MetaboliteSpectralMatching()
Default constructor.
◆ ~MetaboliteSpectralMatching()
|
virtual |
Default destructor.
Member Function Documentation
◆ computeHyperScore()
| double computeHyperScore | ( | MSSpectrum | , |
| MSSpectrum | , | ||
| const double & | , | ||
| const double & | |||
| ) |
hyperscore computation
◆ exportMzTab_()
|
private |
private member functions
◆ run()
main method of MetaboliteSpectralMatching
◆ updateMembers_()
|
protectedvirtual |
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.
Member Data Documentation
◆ fragment_mz_error_
|
private |
◆ ion_mode_
|
private |
◆ mz_error_unit_
|
private |
◆ precursor_mz_error_
|
private |
◆ report_mode_
|
private |