IsoSpec::IsoLayeredGenerator

NAME

IsoSpec::IsoLayeredGenerator

SYNOPSIS

Inherits IsoSpec::IsoGenerator.

Public Member Functions

IsoLayeredGenerator (const IsoLayeredGenerator &other)=delete
IsoLayeredGenerator & operator= (const IsoLayeredGenerator &other)=delete
void get_conf_signature (int *space) const override final
Write the signature of configuration into target memory location. It must be large enough to accomodate it.
double get_currentLThreshold () const
IsoLayeredGenerator (Iso &&iso, int _tabSize=1000, int _hashSize=1000, bool reorder_marginals=true, double t_prob_hint=0.99)
ISOSPEC_FORCE_INLINE bool advanceToNextConfiguration () override final
Advance to the next, not yet visited, most probable isotopologue.
ISOSPEC_FORCE_INLINE bool advanceToNextConfigurationWithinLayer ()
ISOSPEC_FORCE_INLINE double lprob () const override final
Get the log-probability of the current isotopologue.
ISOSPEC_FORCE_INLINE double mass () const override final
Get the mass of the current isotopologue.
ISOSPEC_FORCE_INLINE double prob () const override final
Get the probability of the current isotopologue.
void terminate_search ()
Block the subsequent search of isotopologues.
ISOSPEC_FORCE_INLINE void recalc (int idx)
Recalculate the current partial log-probabilities, masses, and probabilities.
bool nextLayer (double offset)

Additional Inherited Members

Detailed Description

Definition at line 439 of file isoSpec++.h.

Constructor & Destructor Documentation

IsoSpec::IsoLayeredGenerator::IsoLayeredGenerator (Iso && iso, int _tabSize =1000, int _hashSize = 1000, bool reorder_marginals = true, doublet_prob_hint = 0.99)

Definition at line 654 of file isoSpec++.cpp.

IsoSpec::IsoLayeredGenerator::˜IsoLayeredGenerator ()

Definition at line 796 of file isoSpec++.cpp.

Member Function Documentation

ISOSPEC_FORCE_INLINE boolIsoSpec::IsoLayeredGenerator::advanceToNextConfiguration () [inline],[final], [override], [virtual]

Advance to the next, not yet visited, most probable isotopologue.

Returns

Return false if it is not possible to advance.

Implements IsoSpec::IsoGenerator.

Definition at line 489 of file isoSpec++.h.

ISOSPEC_FORCE_INLINE boolIsoSpec::IsoLayeredGenerator::advanceToNextConfigurationWithinLayer ()[inline]

Definition at line 499 of file isoSpec++.h.

void IsoSpec::IsoLayeredGenerator::get_conf_signature (int * space) const[inline], [final], [override], [virtual]

Write the signature of configuration into target memory location. It must be large enough to accomodate it.

Implements IsoSpec::IsoGenerator.

Definition at line 461 of file isoSpec++.h.

double IsoSpec::IsoLayeredGenerator::get_currentLThreshold () const [inline]

Definition at line 483 of file isoSpec++.h.

ISOSPEC_FORCE_INLINE double IsoSpec::IsoLayeredGenerator::lprob () const[inline], [final], [override], [virtual]

Get the log-probability of the current isotopologue.

Returns

The log-probability of the current isotopologue.

Reimplemented from IsoSpec::IsoGenerator.

Definition at line 511 of file isoSpec++.h.

ISOSPEC_FORCE_INLINE double IsoSpec::IsoLayeredGenerator::mass () const[inline], [final], [override], [virtual]

Get the mass of the current isotopologue.

Returns

The mass of the current isotopologue.

Reimplemented from IsoSpec::IsoGenerator.

Definition at line 512 of file isoSpec++.h.

bool IsoSpec::IsoLayeredGenerator::nextLayer (double offset)

Definition at line 721 of file isoSpec++.cpp.

ISOSPEC_FORCE_INLINE double IsoSpec::IsoLayeredGenerator::prob () const[inline], [final], [override], [virtual]

Get the probability of the current isotopologue.

Returns

The probability of the current isotopologue.

Reimplemented from IsoSpec::IsoGenerator.

Definition at line 513 of file isoSpec++.h.

ISOSPEC_FORCE_INLINE void IsoSpec::IsoLayeredGenerator::recalc (int idx)[inline]

Recalculate the current partial log-probabilities, masses, and probabilities.

Definition at line 520 of file isoSpec++.h.

void IsoSpec::IsoLayeredGenerator::terminate_search ()

Block the subsequent search of isotopologues.

Definition at line 785 of file isoSpec++.cpp.

Author

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