IsoSpec  2.1.2
Public Member Functions | Static Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
IsoSpec::FixedEnvelope Class Reference

Public Member Functions

 FixedEnvelope (const FixedEnvelope &other)
 
 FixedEnvelope (FixedEnvelope &&other)
 
 FixedEnvelope (double *masses, double *probs, size_t confs_no, bool masses_sorted=false, bool probs_sorted=false, double _total_prob=NAN)
 
FixedEnvelope operator+ (const FixedEnvelope &other) const
 
FixedEnvelope operator* (const FixedEnvelope &other) const
 
size_t confs_no () const
 
int getAllDim () const
 
const double * masses () const
 
const double * probs () const
 
const int * confs () const
 
double * release_masses ()
 
double * release_probs ()
 
int * release_confs ()
 
double mass (size_t i) const
 
double prob (size_t i) const
 
const int * conf (size_t i) const
 
void sort_by_mass ()
 
void sort_by_prob ()
 
double get_total_prob ()
 
void scale (double factor)
 
void normalize ()
 
double empiric_average_mass ()
 
double empiric_variance ()
 
double empiric_stddev ()
 
double WassersteinDistance (FixedEnvelope &other)
 
double OrientedWassersteinDistance (FixedEnvelope &other)
 
FixedEnvelope bin (double bin_width=1.0, double middle=0.0)
 
template<bool tgetConfs>
void threshold_init (Iso &&iso, double threshold, bool absolute)
 
template<bool tgetConfs>
void addConfILG (const IsoLayeredGenerator &generator)
 
template<bool tgetConfs>
void total_prob_init (Iso &&iso, double target_prob, bool trim)
 

Static Public Member Functions

static FixedEnvelope LinearCombination (const std::vector< const FixedEnvelope * > &spectra, const std::vector< double > &intensities)
 
static FixedEnvelope LinearCombination (const FixedEnvelope *const *spectra, const double *intensities, size_t size)
 
static FixedEnvelope FromThreshold (Iso &&iso, double threshold, bool absolute, bool tgetConfs=false)
 
static FixedEnvelope FromThreshold (const Iso &iso, double _threshold, bool _absolute, bool tgetConfs=false)
 
static FixedEnvelope FromTotalProb (Iso &&iso, double target_total_prob, bool optimize, bool tgetConfs=false)
 
static FixedEnvelope FromTotalProb (const Iso &iso, double _target_total_prob, bool _optimize, bool tgetConfs=false)
 

Protected Member Functions

template<typename T , bool tgetConfs>
ISOSPEC_FORCE_INLINE void store_conf (const T &generator)
 
ISOSPEC_FORCE_INLINE void store_conf (double _mass, double _prob)
 
template<bool tgetConfs>
ISOSPEC_FORCE_INLINE void swap (size_t idx1, size_t idx2, ISOSPEC_MAYBE_UNUSED int *conf_swapspace)
 
template<bool tgetConfs>
void reallocate_memory (size_t new_size)
 
void slow_reallocate_memory (size_t new_size)
 

Protected Attributes

double * _masses
 
double * _probs
 
int * _confs
 
size_t _confs_no
 
int allDim
 
bool sorted_by_mass
 
bool sorted_by_prob
 
double total_prob
 
size_t current_size
 
double * tmasses
 
double * tprobs
 
int * tconfs
 
int allDimSizeofInt
 

Detailed Description

Definition at line 31 of file fixedEnvelopes.h.


The documentation for this class was generated from the following files: