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¶

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

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

IsoSpec::IsoLayeredGenerator::~IsoLayeredGenerator ()¶

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

ISOSPEC_FORCE_INLINE bool IsoSpec::IsoLayeredGenerator::advanceToNextConfiguration () [inline], [final], [override], [virtual]¶

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

Returns

Implements IsoSpec::IsoGenerator.

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

ISOSPEC_FORCE_INLINE bool IsoSpec::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

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

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

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.