RealMassDecomposer Class Reference

Handles decomposing of non-integer values/masses over a set of non-integer weights with an error allowed. More...

#include <OpenMS/CHEMISTRY/MASSDECOMPOSITION/IMS/RealMassDecomposer.h>

Collaboration diagram for RealMassDecomposer:

Public Types
typedef IntegerMassDecomposer	integer_decomposer_type
	Type of integer decomposer. More...
typedef integer_decomposer_type::value_type	integer_value_type
	Type of integer values that are decomposed. More...
typedef integer_decomposer_type::decompositions_type	decompositions_type
	Type of result decompositions from integer decomposer. More...
typedef unsigned long long	number_of_decompositions_type
	Type of the number of decompositions. More...
typedef std::map< unsigned int, std::pair< unsigned int, unsigned int > >	constraints_type

Public Member Functions
	RealMassDecomposer (const Weights &weights)
decompositions_type	getDecompositions (double mass, double error)
decompositions_type	getDecompositions (double mass, double error, const constraints_type &constraints)
number_of_decompositions_type	getNumberOfDecompositions (double mass, double error)

Private Attributes
Weights	weights_
	Weights over which values/masses to be decomposed. More...
std::pair< double, double >	rounding_errors_
	Minimal and maximal rounding errors. More...
double	precision_
	Precision to scale double values to integer. More...
std::shared_ptr< integer_decomposer_type >	decomposer_

Detailed Description

Handles decomposing of non-integer values/masses over a set of non-integer weights with an error allowed.

Implements a decomposition of non-integer values with a certain error allowed. Exactness of decomposition can also be tuned by setting a precision factor for weights defining their scaling magnitude.

Works in fact as a wrapper for classes that handle exact mass decomposing using integer arithmetics. Instead of decomposing a single value as done by integer mass decomposers, RealMassDecomposer defines a set of values that lie in the allowed range (defined by error and false negatives appeared due to rounding), scales those to integers, decomposes them using IntegerMassDecomposer, does some checks (i.e. on false positives appeared due to rounding) and collects decompositions together.

Author

Anton Pervukhin Anton.nosp@m..Per.nosp@m.vukhi.nosp@m.n@Ce.nosp@m.BiTec.nosp@m..Uni.nosp@m.-Biel.nosp@m.efel.nosp@m.d.DE

Member Typedef Documentation

constraints_type

typedef std::map<unsigned int, std::pair<unsigned int, unsigned int> > constraints_type

decompositions_type

typedef integer_decomposer_type::decompositions_type decompositions_type

Type of result decompositions from integer decomposer.

integer_decomposer_type

typedef IntegerMassDecomposer integer_decomposer_type

Type of integer decomposer.

integer_value_type

typedef integer_decomposer_type::value_type integer_value_type

Type of integer values that are decomposed.

number_of_decompositions_type

typedef unsigned long long number_of_decompositions_type

Type of the number of decompositions.

Constructor & Destructor Documentation

RealMassDecomposer()

RealMassDecomposer ( const Weights &  weights )

explicit

Constructor with weights.

Parameters

weights

Weights over which values/masses to be decomposed.

Member Function Documentation

getDecompositions() [1/2]

decompositions_type getDecompositions	(	double	mass,
		double	error
	)

Gets all decompositions for a mass with an error allowed.

Parameters

mass	Mass to be decomposed.
error	Error allowed between given and result decomposition.

Returns

All possible decompositions for a given mass and error.

getDecompositions() [2/2]

decompositions_type getDecompositions	(	double	mass,
		double	error,
		const constraints_type &	constraints
	)

getNumberOfDecompositions()

number_of_decompositions_type getNumberOfDecompositions	(	double	mass,
		double	error
	)

Gets a number of all decompositions for a mass with an error allowed. It's similar to the getDecompositions(double,double) function but less space consuming, since doesn't use container to store decompositions.

Parameters

mass	Mass to be decomposed.
error	Error allowed between given and result decomposition.

Returns

Number of all decompositions for a given mass and error.

Member Data Documentation

decomposer_

std::shared_ptr<integer_decomposer_type> decomposer_

private

Decomposer to be used for exact decomposing using integer arithmetic.

precision_

double precision_

private

Precision to scale double values to integer.

rounding_errors_

std::pair<double, double> rounding_errors_

private

Minimal and maximal rounding errors.

weights_

Weights weights_

private

Weights over which values/masses to be decomposed.