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IsoSpec
1.95
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IsoSpec
1.95
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LayeredMarginal class. More...
#include <marginalTrek++.h>
Public Member Functions | |
| LayeredMarginal (Marginal &&m, int tabSize=1000, int hashSize=1000) | |
| Move constructor: specializes the Marginal class. More... | |
| bool | extend (double new_threshold) |
| Extend the set of computed subisotopologues to those above the new threshold. More... | |
| 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. | |
 Public Member Functions inherited from IsoSpec::Marginal | |
| Marginal (const double *_masses, const double *_probs, int _isotopeNo, int _atomCnt) | |
| Class constructor. More... | |
| Marginal (Marginal &other)=delete | |
| Marginal & | operator= (const Marginal &other)=delete |
| Marginal (Marginal &&other) | |
| Move constructor. | |
| virtual | ~Marginal () |
| Destructor. | |
| int | get_isotopeNo () const |
| Get the number of isotopes of the investigated element. More... | |
| const double * | get_lProbs () const |
| double | getLightestConfMass () const |
| Get the mass of the lightest subisotopologue. More... | |
| double | getHeaviestConfMass () const |
| Get the mass of the heaviest subisotopologue. More... | |
| double | getMonoisotopicConfMass () const |
| Get the mass of the monoisotopic subisotopologue. More... | |
| double | getModeLProb () const |
| Get the log-probability of the mode subisotopologue. More... | |
| double | getModeMass () const |
| The the mass of the mode subisotopologue. More... | |
| double | getModeProb () const |
| The the probability of the mode subisotopologue. More... | |
| double | getSmallestLProb () const |
| The the log-probability of the lightest subisotopologue. More... | |
| double | getTheoreticalAverageMass () const |
| The theoretical average mass of the molecule. More... | |
| double | logProb (Conf conf) const |
| Calculate the log-probability of a given subisotopologue. More... | |
Additional Inherited Members | |
| Protected Attributes inherited from IsoSpec::Marginal | |
| const unsigned int | isotopeNo |
| const unsigned int | atomCnt |
| const double *const | atom_lProbs |
| const double *const | atom_masses |
| const double | loggamma_nominator |
| const Conf | mode_conf |
| const double | mode_lprob |
| const double | mode_mass |
| const double | mode_prob |
| const double | smallest_lprob |
LayeredMarginal class.
An extendable version of the PrecalculatedMarginal, where you can extend the threshold at will.
Definition at line 315 of file marginalTrek++.h.
| IsoSpec::LayeredMarginal::LayeredMarginal | ( | Marginal && | m, |
| int | tabSize = 1000, |
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| int | hashSize = 1000 |
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| ) |
Move constructor: specializes the Marginal class.
| tabSize | The size of the table used to store configurations in the allocator. |
| hashSize | The size of the hash table used to store visited subisotopologues. |
Definition at line 482 of file marginalTrek++.cpp.
| bool IsoSpec::LayeredMarginal::extend | ( | double | new_threshold | ) |
Extend the set of computed subisotopologues to those above the new threshold.
| new_threshold | The new log-probability limiting the subisotopologues from below. |
Definition at line 492 of file marginalTrek++.cpp.
1.8.17