![]() |
IsoSpec
2.1.2
|
The marginal distribution class (a subisotopologue). More...
#include <marginalTrek++.h>
Public Member Functions | |
MarginalTrek (Marginal &&m, int tabSize=1000, int hashSize=1000) | |
Move constructor: specializes the Marginal class. More... | |
MarginalTrek (const MarginalTrek &other)=delete | |
MarginalTrek & | operator= (const MarginalTrek &other)=delete |
bool | probeConfigurationIdx (int idx) |
Check if the table of computed subisotopologues does not have to be extended. More... | |
double | getModeLProb () const |
Get the log-probability of the mode subisotopologue. More... | |
const pod_vector< double > & | conf_lprobs () const |
const pod_vector< double > & | conf_masses () const |
const pod_vector< Conf > & | confs () const |
![]() | |
Marginal (const double *_masses, const double *_probs, int _isotopeNo, int _atomCnt) | |
Class constructor. More... | |
Marginal & | operator= (const Marginal &other)=delete |
Marginal (const Marginal &other) | |
Copy constructor. | |
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 | getModeMass () |
The the mass of the mode subisotopologue. More... | |
double | getModeLProb () |
Get the log-probability of the mode subisotopologue. More... | |
double | fastGetModeLProb () |
Get the log-probability of the mode subisotopologue. Results undefined if ensureModeConf() wasn't called before. | |
Conf | computeModeConf () const |
The the probability of the mode subisotopologue. More... | |
double | getSmallestLProb () const |
The the log-probability of the lightest subisotopologue. More... | |
double | getAtomAverageMass () const |
The average mass of a single atom. More... | |
double | getTheoreticalAverageMass () const |
The theoretical average mass of the molecule. More... | |
double | variance () const |
Calculate the variance of the theoretical distribution describing the subisotopologue. | |
double | getLogSizeEstimate (double logEllipsoidRadius) const |
Return estimated logarithm of size of the marginal at a given ellipsoid radius. | |
void | ensureModeConf () |
Additional Inherited Members | |
![]() | |
ISOSPEC_FORCE_INLINE double | unnormalized_logProb (Conf conf) const |
Calculate the log-probability of a given subisotopologue. More... | |
ISOSPEC_FORCE_INLINE double | logProb (Conf conf) const |
![]() | |
const unsigned int | isotopeNo |
const unsigned int | atomCnt |
const double *const | atom_lProbs |
const double *const | atom_masses |
const double | loggamma_nominator |
Conf | mode_conf |
double | mode_lprob |
The marginal distribution class (a subisotopologue).
Definition at line 175 of file marginalTrek++.h.
IsoSpec::MarginalTrek::MarginalTrek | ( | Marginal && | m, |
int | tabSize = 1000 , |
||
int | hashSize = 1000 |
||
) |
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 323 of file marginalTrek++.cpp.
|
inline |
Get the log-probability of the mode subisotopologue.
Definition at line 223 of file marginalTrek++.h.
|
inline |
Check if the table of computed subisotopologues does not have to be extended.
This function checks if the idx-th most probable subisotopologue was memoized and if not, computes it and memoizes it.
idx | The number of the idx-th most probable subisotopologue. |
Definition at line 211 of file marginalTrek++.h.