Inheritance diagram for IsoSpec::LoggingMarginal< T >:

Public Member Functions
	LoggingMarginal (T &&m)
	LoggingMarginal (T &&m, int tabSize, int hashSize)
	LoggingMarginal (const LoggingMarginal &other)=delete
LoggingMarginal &	operator= (const LoggingMarginal &other)=delete
double	getModeLProb () const
double	get_lProb (int idx) const
double	get_prob (int idx) const
double	get_mass (int idx) const
const double *	get_lProbs_ptr () const
const Conf &	get_conf (int idx) const
unsigned int	get_no_confs () const
bool	probeConfigurationIdx (int idx)
double	get_min_mass () const
double	get_max_mass () const
double	getModeMass () const
double	getLightestConfMass () const
double	getHeaviestConfMass () const
double	getMonoisotopicConfMass () const
double	getAtomAverageMass () const
double	variance () const
double	getTheoreticalAverageMass () const
double	getLogSizeEstimate (double logEllipsoidRadius) const
void	ensureModeConf ()
const pod_vector< double > &	conf_lprobs () const
const pod_vector< double > &	conf_masses () const
int	get_original_position (int idx) const
int	get_isotopeNo () const
const double *	get_lProbs () const
const double *	get_masses () const
const double *	get_atom_lProbs () const
const double *	get_atom_masses () const
bool	extend (double new_threshold, bool do_sort=true)
Public Member Functions inherited from IsoSpec::Marginal
	Marginal (const double _masses, const double _probs, int _isotopeNo, int _atomCnt)
	Class constructor.
Marginal &	operator= (const Marginal &other)=delete
	Marginal (const Marginal &other)
	Copy constructor.
	Marginal (Marginal &&other)
	Move constructor.
virtual	~Marginal ()
	Destructor.
int	get_isotopeNo () const
	Get the number of isotopes of the investigated element.
const double *	get_lProbs () const
double	getLightestConfMass () const
	Get the mass of the lightest subisotopologue.
double	getHeaviestConfMass () const
	Get the mass of the heaviest subisotopologue.
double	getMonoisotopicConfMass () const
	Get the mass of the monoisotopic subisotopologue.
size_t	getMonoisotopicAtomIndex () const
	Get the index of the monoisotopic (most probable) atom.
double	getModeMass ()
	The the mass of the mode subisotopologue.
double	getModeLProb ()
	Get the log-probability of the mode subisotopologue.
double	fastGetModeLProb ()
	Get the log-probability of the mode subisotopologue. Results undefined if ensureModeConf() wasn't called before.
Conf	computeModeConf () const
	The the probability of the mode subisotopologue.
double	getSmallestLProb () const
	The the log-probability of the lightest subisotopologue.
double	getAtomAverageMass () const
	The average mass of a single atom.
double	getTheoreticalAverageMass () const
	The theoretical average mass of the molecule.
double	variance () const
	Calculate the variance of the theoretical distribution describing the subisotopologue.
double	getLogSizeEstimate (double logEllipsoidRadius) const
	Return estimated logarithm of size of the marginal at a given ellipsoid radius.
void	ensureModeConf ()

Additional Inherited Members
Protected Member Functions inherited from IsoSpec::Marginal
ISOSPEC_FORCE_INLINE double	unnormalized_logProb (Conf conf) const
	Calculate the log-probability of a given subisotopologue.
ISOSPEC_FORCE_INLINE double	logProb (Conf conf) const
Protected Attributes inherited from IsoSpec::Marginal
const unsigned int	isotopeNo
const unsigned int	atomCnt
const double *const	atom_lProbs
const double *const	atom_masses
const double	loggamma_nominator
Conf	mode_conf
double	mode_lprob

Detailed Description

template<typename T>
class IsoSpec::LoggingMarginal< T >

Definition at line 525 of file marginalTrek++.h.

Constructor & Destructor Documentation

◆ LoggingMarginal() [1/2]

template<typename T>

IsoSpec::LoggingMarginal< T >::LoggingMarginal ( T && m )

inline

Definition at line 532 of file marginalTrek++.h.

◆ LoggingMarginal() [2/2]

template<typename T>

IsoSpec::LoggingMarginal< T >::LoggingMarginal	(	T &&	m,
		int	tabSize,
		int	hashSize )

inline

Definition at line 533 of file marginalTrek++.h.

Member Function Documentation

◆ conf_lprobs()

template<typename T>

const pod_vector< double > & IsoSpec::LoggingMarginal< T >::conf_lprobs ( ) const

inline

Definition at line 563 of file marginalTrek++.h.

◆ conf_masses()

template<typename T>

const pod_vector< double > & IsoSpec::LoggingMarginal< T >::conf_masses ( ) const

inline

Definition at line 564 of file marginalTrek++.h.

◆ ensureModeConf()

template<typename T>

void IsoSpec::LoggingMarginal< T >::ensureModeConf ( )

inline

Definition at line 562 of file marginalTrek++.h.

◆ extend()

template<typename T>

bool IsoSpec::LoggingMarginal< T >::extend	(	double	new_threshold,
		bool	do_sort = true )

inline

Definition at line 571 of file marginalTrek++.h.

◆ get_atom_lProbs()

template<typename T>

const double * IsoSpec::LoggingMarginal< T >::get_atom_lProbs ( ) const

inline

Definition at line 569 of file marginalTrek++.h.

◆ get_atom_masses()

template<typename T>

const double * IsoSpec::LoggingMarginal< T >::get_atom_masses ( ) const

inline

Definition at line 570 of file marginalTrek++.h.

◆ get_conf()

template<typename T>

const Conf & IsoSpec::LoggingMarginal< T >::get_conf ( int idx ) const

inline

Definition at line 544 of file marginalTrek++.h.

◆ get_isotopeNo()

template<typename T>

int IsoSpec::LoggingMarginal< T >::get_isotopeNo ( ) const

inline

Definition at line 566 of file marginalTrek++.h.

◆ get_lProb()

template<typename T>

double IsoSpec::LoggingMarginal< T >::get_lProb ( int idx ) const

inline

Definition at line 540 of file marginalTrek++.h.

◆ get_lProbs()

template<typename T>

const double * IsoSpec::LoggingMarginal< T >::get_lProbs ( ) const

inline

Definition at line 567 of file marginalTrek++.h.

◆ get_lProbs_ptr()

template<typename T>

const double * IsoSpec::LoggingMarginal< T >::get_lProbs_ptr ( ) const

inline

Definition at line 543 of file marginalTrek++.h.

◆ get_mass()

template<typename T>

double IsoSpec::LoggingMarginal< T >::get_mass ( int idx ) const

inline

Definition at line 542 of file marginalTrek++.h.

◆ get_masses()

template<typename T>

const double * IsoSpec::LoggingMarginal< T >::get_masses ( ) const

inline

Definition at line 568 of file marginalTrek++.h.

◆ get_max_mass()

template<typename T>

double IsoSpec::LoggingMarginal< T >::get_max_mass ( ) const

inline

Definition at line 548 of file marginalTrek++.h.

◆ get_min_mass()

template<typename T>

double IsoSpec::LoggingMarginal< T >::get_min_mass ( ) const

inline

Definition at line 547 of file marginalTrek++.h.

◆ get_no_confs()

template<typename T>

unsigned int IsoSpec::LoggingMarginal< T >::get_no_confs ( ) const

inline

Definition at line 545 of file marginalTrek++.h.

◆ get_original_position()

template<typename T>

int IsoSpec::LoggingMarginal< T >::get_original_position ( int idx ) const

inline

Definition at line 565 of file marginalTrek++.h.

◆ get_prob()

template<typename T>

double IsoSpec::LoggingMarginal< T >::get_prob ( int idx ) const

inline

Definition at line 541 of file marginalTrek++.h.

◆ getAtomAverageMass()

template<typename T>

double IsoSpec::LoggingMarginal< T >::getAtomAverageMass ( ) const

inline

Definition at line 553 of file marginalTrek++.h.

◆ getHeaviestConfMass()

template<typename T>

double IsoSpec::LoggingMarginal< T >::getHeaviestConfMass ( ) const

inline

Definition at line 551 of file marginalTrek++.h.

◆ getLightestConfMass()

template<typename T>

double IsoSpec::LoggingMarginal< T >::getLightestConfMass ( ) const

inline

Definition at line 550 of file marginalTrek++.h.

◆ getLogSizeEstimate()

template<typename T>

double IsoSpec::LoggingMarginal< T >::getLogSizeEstimate ( double logEllipsoidRadius ) const

inline

Definition at line 556 of file marginalTrek++.h.

◆ getModeLProb()

template<typename T>

double IsoSpec::LoggingMarginal< T >::getModeLProb ( ) const

inline

Definition at line 539 of file marginalTrek++.h.

◆ getModeMass()

template<typename T>

double IsoSpec::LoggingMarginal< T >::getModeMass ( ) const

inline

Definition at line 549 of file marginalTrek++.h.

◆ getMonoisotopicConfMass()

template<typename T>

double IsoSpec::LoggingMarginal< T >::getMonoisotopicConfMass ( ) const

inline

Definition at line 552 of file marginalTrek++.h.

◆ getTheoreticalAverageMass()

template<typename T>

double IsoSpec::LoggingMarginal< T >::getTheoreticalAverageMass ( ) const

inline

Definition at line 555 of file marginalTrek++.h.

◆ probeConfigurationIdx()

template<typename T>

bool IsoSpec::LoggingMarginal< T >::probeConfigurationIdx ( int idx )

inline

Definition at line 546 of file marginalTrek++.h.

◆ variance()

template<typename T>

double IsoSpec::LoggingMarginal< T >::variance ( ) const

inline

Definition at line 554 of file marginalTrek++.h.

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

/build/isospec-8QB56o/isospec-2.3.2/src/IsoSpec++/marginalTrek++.h

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ LoggingMarginal() [1/2]

◆ LoggingMarginal() [2/2]

Member Function Documentation

◆ conf_lprobs()

◆ conf_masses()

◆ ensureModeConf()

◆ extend()

◆ get_atom_lProbs()

◆ get_atom_masses()

◆ get_conf()

◆ get_isotopeNo()

◆ get_lProb()

◆ get_lProbs()

◆ get_lProbs_ptr()

◆ get_mass()

◆ get_masses()

◆ get_max_mass()

◆ get_min_mass()

◆ get_no_confs()

◆ get_original_position()

◆ get_prob()

◆ getAtomAverageMass()

◆ getHeaviestConfMass()

◆ getLightestConfMass()

◆ getLogSizeEstimate()

◆ getModeLProb()

◆ getModeMass()

◆ getMonoisotopicConfMass()

◆ getTheoreticalAverageMass()

◆ probeConfigurationIdx()

◆ variance()