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OpenMS
2.4.0
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Mass decomposition algorithm, given a mass it suggests possible compositions. More...
#include <OpenMS/CHEMISTRY/MASSDECOMPOSITION/MassDecompositionAlgorithm.h>
Public Member Functions | |
constructors and destructor | |
MassDecompositionAlgorithm () | |
Default constructor. More... | |
~MassDecompositionAlgorithm () override | |
Destructor. 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... | |
Operators | |
ims::IMSAlphabet * | alphabet_ |
ims::RealMassDecomposer * | decomposer_ |
void | getDecompositions (std::vector< MassDecomposition > &decomps, double weight) |
returns the possible decompositions given the weight More... | |
void | updateMembers_ () override |
This method is used to update extra member variables at the end of the setParameters() method. More... | |
MassDecompositionAlgorithm (const MassDecompositionAlgorithm &deco) | |
Copy constructor. More... | |
MassDecompositionAlgorithm & | operator= (const MassDecompositionAlgorithm &rhs) |
assignment operator More... | |
Additional Inherited Members | |
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void | defaultsToParam_ () |
Updates the parameters after the defaults have been set in the constructor. More... | |
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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... | |
Mass decomposition algorithm, given a mass it suggests possible compositions.
A mass decomposition algorithm decomposes a mass or a mass difference into possible amino acids and frequencies of them, which add up to the given mass. This class is a wrapper for the algorithm published in
Default constructor.
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override |
Destructor.
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private |
Copy constructor.
void getDecompositions | ( | std::vector< MassDecomposition > & | decomps, |
double | weight | ||
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returns the possible decompositions given the weight
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private |
assignment operator
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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.
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protected |
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protected |