IsoSpec::IsoStochasticGenerator

NAME

IsoSpec::IsoStochasticGenerator

SYNOPSIS

Inherits IsoSpec::IsoGenerator.

Public Member Functions

IsoStochasticGenerator (Iso &&iso, size_t no_molecules, double precision=0.9999, double beta_bias=5.0)
ISOSPEC_FORCE_INLINE size_t count () const
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.
ISOSPEC_FORCE_INLINE double lprob () const override final
Get the log-probability of the current isotopologue.
ISOSPEC_FORCE_INLINE 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.
ISOSPEC_FORCE_INLINE bool advanceToNextConfiguration () override final
Advance to the next, not yet visited, most probable isotopologue.

Additional Inherited Members

Detailed Description

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

Constructor & Destructor Documentation

IsoSpec::IsoStochasticGenerator::IsoStochasticGenerator (Iso && iso, size_tno_molecules, double precision = 0.9999, double beta_bias = 5.0)

Definition at line 923 of file isoSpec++.cpp.

Member Function Documentation

ISOSPEC_FORCE_INLINE boolIsoSpec::IsoStochasticGenerator::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 565 of file isoSpec++.h.

ISOSPEC_FORCE_INLINE size_t IsoSpec::IsoStochasticGenerator::count () const[inline]

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

ISOSPEC_FORCE_INLINE void IsoSpec::IsoStochasticGenerator::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 563 of file isoSpec++.h.

ISOSPEC_FORCE_INLINE double IsoSpec::IsoStochasticGenerator::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 561 of file isoSpec++.h.

ISOSPEC_FORCE_INLINE double IsoSpec::IsoStochasticGenerator::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 557 of file isoSpec++.h.

ISOSPEC_FORCE_INLINE double IsoSpec::IsoStochasticGenerator::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 559 of file isoSpec++.h.

Author

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