Public Member Functions¶

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.

Additional Inherited Members¶

IsoSpec::LayeredMarginal::LayeredMarginal (Marginal && m, int tabSize = 1000, int hashSize = 1000)¶

Move constructor: specializes the Marginal class.

Parameters

Definition at line 556 of file marginalTrek++.cpp.

bool IsoSpec::LayeredMarginal::extend (double new_threshold, bool do_sort = true)¶

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

Parameters

Returns

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

const Conf & IsoSpec::LayeredMarginal::get_conf (int idx) const [inline]¶

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

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

double IsoSpec::LayeredMarginal::get_lProb (int idx) const [inline]¶

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

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

const double * IsoSpec::LayeredMarginal::get_lProbs_ptr () const [inline]¶

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.

double IsoSpec::LayeredMarginal::get_mass (int idx) const [inline]¶

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

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

double IsoSpec::LayeredMarginal::get_max_mass () const¶

Get the maximal mass in current layer.

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

double IsoSpec::LayeredMarginal::get_min_mass () const¶

Get the minimal mass in current layer.

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

unsigned int IsoSpec::LayeredMarginal::get_no_confs () const [inline]¶

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

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

double IsoSpec::LayeredMarginal::get_prob (int idx) const [inline]¶

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

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

double IsoSpec::LayeredMarginal::getModeLProb () const [inline]¶

Get the log-probability of the mode subisotopologue.

Returns

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