IsoSpec::MarginalTrek(3)

📦
version 2.3.2 · 4 versions
, in ubuntu resolute, ubuntu stonking

✨ NAME ✨

IsoSpec::MarginalTrek — the marginal distribution class (a subisotopologue) 💖

okay so this is from the Library Functions Manual, and the page is literally called IsoSpec::MarginalTrek(3). Buckle up bestie, we're going in 🦋

🌸 SYNOPSIS 🌸

#include <marginalTrek++.h>

First thing's first: this class inherits IsoSpec::Marginal. It's giving "I got everything my parent has plus my own little extras" energy 👑

💅 Public Member Functions

  • MarginalTrek (Marginal &&m, int tabSize=1000, int hashSize=1000) — Move constructor: it specializes the Marginal class. Iconic behaviour.
  • MarginalTrek (const MarginalTrek &other)=delete — nope, copying is deleted, we do not do that here 🙈
  • MarginalTrek & operator= (const MarginalTrek &other)=delete — and copy-assignment is deleted too, periodt 💀
  • bool probeConfigurationIdx (int idx) — Check if the table of computed subisotopologues does not have to be extended. A little vibe check on your table, iykyk.
  • double getModeLProb () const — Get the log-probability of the mode subisotopologue.
  • const pod_vector< double > & conf_lprobs () const — hands you the log-probabilities of the configurations ✨
  • const pod_vector< double > & conf_masses () const — hands you the masses of the configurations
  • const pod_vector< Conf > & confs () const — hands you the Confs themselves, no cap

🫶 Public Member Functions inherited from IsoSpec::Marginal

  • Marginal (const double *_masses, const double *_probs, int _isotopeNo, int _atomCnt) — Class constructor.
  • Marginal & operator= (const Marginal &other)=delete — deleted, don't even try it
  • Marginal (const Marginal &other) — Copy constructor.
  • Marginal (Marginal &&other) — Move constructor.
  • virtual ~Marginal () — Destructor. Rip to a real one 🕊️
  • int get_isotopeNo () const — Get the number of isotopes of the investigated element.
  • const double * get_lProbs () const — the log-probabilities, as a raw pointer
  • double getLightestConfMass () const — Get the mass of the lightest subisotopologue.
  • double getHeaviestConfMass () const — Get the mass of the heaviest subisotopologue.
  • double getMonoisotopicConfMass () const — Get the mass of the monoisotopic subisotopologue.
  • size_t getMonoisotopicAtomIndex () const — Get the index of the monoisotopic (most probable) atom.
  • double getModeMass () — The mass of the mode subisotopologue.
  • double getModeLProb () — Get the log-probability of the mode subisotopologue.
  • double fastGetModeLProb () — Get the log-probability of the mode subisotopologue. ⚠️ Results are undefined if ensureModeConf() wasn't called before — so like, please call it first bestie.
  • Conf computeModeConf () const — The probability of the mode subisotopologue.
  • double getSmallestLProb () const — The log-probability of the lightest subisotopologue.
  • double getAtomAverageMass () const — The average mass of a single atom.
  • double getTheoreticalAverageMass () const — The theoretical average mass of the molecule.
  • 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 () — does the mode-conf setup thing (no description given, it just vibes) 💜

🌟 Additional Inherited Members

🔒 Protected Member Functions inherited from IsoSpec::Marginal

  • ISOSPEC_FORCE_INLINE double unnormalized_logProb (Conf conf) const — Calculate the log-probability of a given subisotopologue.
  • ISOSPEC_FORCE_INLINE double logProb (Conf conf) const — the log-probability, unnormalized-free version

🔒 Protected Attributes inherited from IsoSpec::Marginal

  • const unsigned int isotopeNo — the isotope count
  • const unsigned int atomCnt — the atom count
  • const double *const atom_lProbs — pointer to the atomic log-probabilities
  • const double *const atom_masses — pointer to the atomic masses
  • const double loggamma_nominator — the log-gamma numerator
  • Conf mode_conf — the mode configuration
  • double mode_lprob — the mode log-probability

💖 Detailed Description 💖

The marginal distribution class (a subisotopologue). That's the whole assignment, and it ate 🔥

Definition at line 183 of file marginalTrek++.h.

🧚 Constructor & Destructor Documentation 🧚

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

Move constructor: specializes the Marginal class. It's literally the main character of this page 👑

Parameters

  • 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 329 of file marginalTrek++.cpp.

IsoSpec::MarginalTrek::~MarginalTrek () [virtual]

The destructor. No description given, it just closes the tab and logs off 🫡

Definition at line 440 of file marginalTrek++.cpp.

👑 Member Function Documentation 👑

const pod_vector< double > & IsoSpec::MarginalTrek::conf_lprobs () const [inline]

No description, just vibes — it returns the log-probabilities of the configurations as a const pod_vector< double > &.

Definition at line 241 of file marginalTrek++.h.

const pod_vector< double > & IsoSpec::MarginalTrek::conf_masses () const [inline]

Also no description — returns the configuration masses as a const pod_vector< double > &.

Definition at line 242 of file marginalTrek++.h.

const pod_vector< Conf > & IsoSpec::MarginalTrek::confs () const [inline]

Still no description — returns the Confs as a const pod_vector< Conf > &.

Definition at line 243 of file marginalTrek++.h.

double IsoSpec::MarginalTrek::getModeLProb () const [inline]

Get the log-probability of the mode subisotopologue. The moment you've all been waiting for ✨

Returns

The log-probability of a/the most probable subisotopologue.

Definition at line 238 of file marginalTrek++.h.

bool IsoSpec::MarginalTrek::probeConfigurationIdx (int idx) [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. So it's like, "have we already done this? no? bet, doing it now and saving it" 💅

Parameters

  • idx — The number of the idx-th most probable subisotopologue.

Returns

Returns false if it the provided idx exceeds the total number of subisotopologues. So false = you asked for too much, bestie 😭

Definition at line 226 of file marginalTrek++.h.

🌈 Author 🌈

Generated automatically by Doxygen for IsoSpec from the source code. Not a human, just a lil robot doing its thing 🤖

okay that's the whole page!! every flag, every signature, every line number, all of it — nothing skipped, fr fr 🫶

sign-off: this whole thing lives in the IsoSpec library, the page is IsoSpec::MarginalTrek(3), and it was generated by Doxygen straight from the source code. mwah, go forth and trek those marginals bestie 💖✨🎀🦋🌸💅

📦 where this page comes from