DOKK / manpages / debian 12 / libisospec++-dev / IsoSpec_LayeredMarginal.3.en
IsoSpec::LayeredMarginal(3) IsoSpec IsoSpec::LayeredMarginal(3)

IsoSpec::LayeredMarginal - LayeredMarginal class.

#include <marginalTrek++.h>

Inherits IsoSpec::Marginal.


LayeredMarginal (Marginal &&m, int tabSize=1000, int hashSize=1000)
Move constructor: specializes the Marginal class. LayeredMarginal (const LayeredMarginal &other)=delete
LayeredMarginal & operator= (const LayeredMarginal &other)=delete
bool extend (double new_threshold, bool do_sort=true)
Extend the set of computed subisotopologues to those above the new threshold. double get_lProb (int idx) const
get the log-probability of the idx-th subisotopologue, see details in PrecalculatedMarginal::get_lProb. double get_prob (int idx) const
get the probability of the idx-th subisotopologue, see details in PrecalculatedMarginal::get_eProb. double get_mass (int idx) const
get the mass of the idx-th subisotopologue, see details in PrecalculatedMarginal::get_mass. const double * get_lProbs_ptr () const
get the pointer to lProbs array. Accessing index -1 is legal and returns a guardian of -inf. Warning: The pointer gets invalidated on calls to extend() const Conf & get_conf (int idx) const
get the counts of isotopes that define the subisotopologue, see details in PrecalculatedMarginal::get_conf. unsigned int get_no_confs () const
Get the number of precomputed subisotopologues, see details in PrecalculatedMarginal::get_no_confs. double get_min_mass () const
Get the minimal mass in current layer. double get_max_mass () const
Get the maximal mass in current layer. double getModeLProb () const
Get the log-probability of the mode subisotopologue.

LayeredMarginal class.

An extendable version of the PrecalculatedMarginal, where you can extend the threshold at will.

Definition at line 350 of file marginalTrek++.h.

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 556 of file marginalTrek++.cpp.

Extend the set of computed subisotopologues to those above the new threshold.

Parameters

new_threshold The new log-probability limiting the subisotopologues from below.

Returns

Returns false, if there are no fringe-subisotopologues (subisotopologues that were neighbours of the previously calculated subisotopologues, with log-probability below the previous threshold).

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

get the counts of isotopes that define the subisotopologue, see details in PrecalculatedMarginal::get_conf.

Definition at line 396 of file marginalTrek++.h.

get the log-probability of the idx-th subisotopologue, see details in PrecalculatedMarginal::get_lProb.

Definition at line 384 of file marginalTrek++.h.

get the pointer to lProbs array. Accessing index -1 is legal and returns a guardian of -inf. Warning: The pointer gets invalidated on calls to extend()

Definition at line 393 of file marginalTrek++.h.

get the mass of the idx-th subisotopologue, see details in PrecalculatedMarginal::get_mass.

Definition at line 390 of file marginalTrek++.h.

Get the maximal mass in current layer.

Definition at line 689 of file marginalTrek++.cpp.

Get the minimal mass in current layer.

Definition at line 679 of file marginalTrek++.cpp.

Get the number of precomputed subisotopologues, see details in PrecalculatedMarginal::get_no_confs.

Definition at line 399 of file marginalTrek++.h.

get the probability of the idx-th subisotopologue, see details in PrecalculatedMarginal::get_eProb.

Definition at line 387 of file marginalTrek++.h.

Get the log-probability of the mode subisotopologue.

Returns

The log-probability of a/the most probable subisotopologue.

Definition at line 411 of file marginalTrek++.h.

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Tue Jan 3 2023 Version 2.2.1