IsoSpec::MarginalTrek Class Reference

The marginal distribution class (a subisotopologue). More...

#include <marginalTrek++.h>

Inheritance diagram for IsoSpec::MarginalTrek:

Public Member Functions
	MarginalTrek (Marginal &&m, int tabSize=1000, int hashSize=1000)
	Move constructor: specializes the Marginal class. More...
bool	probeConfigurationIdx (int idx)
	Check if the table of computed subisotopologues does not have to be extended. More...
int	processUntilCutoff (double cutoff)
	Calculate subisotopologues with probability above or equal to the cut-off. More...
const std::vector< double > &	conf_lprobs () const
const std::vector< double > &	conf_masses () const
const std::vector< int * > &	confs () const
Public Member Functions inherited from IsoSpec::Marginal
	Marginal (const double *_masses, const double *_probs, int _isotopeNo, int _atomCnt)
	Class constructor. More...
	Marginal (Marginal &other)=delete
Marginal &	operator= (const Marginal &other)=delete
	Marginal (Marginal &&other)
	Move constructor.
virtual	~Marginal ()
	Destructor.
int	get_isotopeNo () const
	Get the number of isotopes of the investigated element. More...
double	getLightestConfMass () const
	Get the mass of the lightest subisotopologue. More...
double	getHeaviestConfMass () const
	Get the mass of the heaviest subisotopologue. More...
double	getModeLProb () const
	Get the log-probability of the mode subisotopologue. More...
double	getModeMass () const
	The the mass of the mode subisotopologue. More...
double	getModeProb () const
	The the probability of the mode subisotopologue. More...
double	getSmallestLProb () const
	The the log-probability of the lightest subisotopologue. More...
double	logProb (Conf conf) const
	Calculate the log-probability of a given subisotopologue. More...

Additional Inherited Members
Protected Attributes inherited from IsoSpec::Marginal
const unsigned int	isotopeNo
const unsigned int	atomCnt
const double *const	atom_masses
const double *const	atom_lProbs
const double	loggamma_nominator
const Conf	mode_conf
const double	mode_lprob
const double	mode_mass
const double	mode_prob
const double	smallest_lprob

Detailed Description

The marginal distribution class (a subisotopologue).

Definition at line 141 of file marginalTrek++.h.

Constructor & Destructor Documentation

MarginalTrek()

IsoSpec::MarginalTrek::MarginalTrek	(	Marginal &&	m,
		int	tabSize = 1000,
		int	hashSize = 1000
	)

Move constructor: specializes the Marginal class.

Parameters

tabSize	The size of the table used to store configurations in the allocator.
hashSize	The size of the hash table used to store visited subisotopologues.

Definition at line 269 of file marginalTrek++.cpp.

Member Function Documentation

probeConfigurationIdx()

bool IsoSpec::MarginalTrek::probeConfigurationIdx ( int  idx )

inline

Check if the table of computed subisotopologues does not have to be extended.

This function checks if the idx-th most probable subisotopologue was memoized and if not, computes it and memoizes it.

Parameters

idx	The number of the idx-th most probable subisotopologue.

Returns

Returns false if it the provided idx exceeds the total number of subisotopologues.

Definition at line 179 of file marginalTrek++.h.

processUntilCutoff()

int IsoSpec::MarginalTrek::processUntilCutoff

(

double

cutoff

)

Calculate subisotopologues with probability above or equal to the cut-off.

Parameters

cutoff

The probability cut-off

Returns

The number of the last subisotopologue above the cut-off.

Definition at line 346 of file marginalTrek++.cpp.

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The documentation for this class was generated from the following files:

• IsoSpec++/marginalTrek++.h
• IsoSpec++/marginalTrek++.cpp