Public Member Functions

IsoThresholdGenerator (const IsoThresholdGenerator &other)=delete
IsoThresholdGenerator & operator= (const IsoThresholdGenerator &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. IsoThresholdGenerator (Iso &&iso, double _threshold, bool _absolute=true, int _tabSize=1000, int _hashSize=1000, bool reorder_marginals=true)
The move-constructor. ISOSPEC_FORCE_INLINE bool advanceToNextConfiguration () override final
Advance to the next, not yet visited, most probable isotopologue. 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. void reset ()
size_t count_confs ()

Additional Inherited Members

IsoSpec::IsoThresholdGenerator::IsoThresholdGenerator (Iso && iso, double _threshold, bool _absolute = true, int _tabSize = 1000, int _hashSize = 1000, bool reorder_marginals = true)

The move-constructor.

Parameters

Definition at line 478 of file isoSpec++.cpp.

IsoSpec::IsoThresholdGenerator::~IsoThresholdGenerator ()

Definition at line 637 of file isoSpec++.cpp.

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

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

Returns

Implements IsoSpec::IsoGenerator.

Definition at line 352 of file isoSpec++.h.

size_t IsoSpec::IsoThresholdGenerator::count_confs ()

Count the number of configurations in the distribution. This can be used to pre-allocate enough memory to store it (e.g. std::vector's reserve() method - this is faster than depending on the vector's dynamic resizing, even though it means that the configuration space is walked through twice. This method has to be called before the first call to advanceToNextConfiguration and has undefined results (incl. segfaults) otherwise.

Definition at line 566 of file isoSpec++.cpp.

void IsoSpec::IsoThresholdGenerator::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 315 of file isoSpec++.h.

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

Get the log-probability of the current isotopologue.

Returns

Reimplemented from IsoSpec::IsoGenerator.

Definition at line 391 of file isoSpec++.h.

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

Get the mass of the current isotopologue.

Returns

Reimplemented from IsoSpec::IsoGenerator.

Definition at line 392 of file isoSpec++.h.

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

Get the probability of the current isotopologue.

Returns

Reimplemented from IsoSpec::IsoGenerator.

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

void IsoSpec::IsoThresholdGenerator::reset ()

Reset the generator to the beginning of the sequence. Allows it to be reused, eg. to go through the conf space once, calculate the amount of space needed to store configurations, then to allocate that memory, and go through it again, this time saving configurations (and is in fact faster than allocating a std::vector and depending on it to grow as needed. This is cheaper than throwing away the generator and making a new one too: marginal distributions don't need to be recalculated.

Definition at line 620 of file isoSpec++.cpp.

void IsoSpec::IsoThresholdGenerator::terminate_search ()

Block the subsequent search of isotopologues.

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