| IsoSpec::IsoGenerator(3) | IsoSpec | IsoSpec::IsoGenerator(3) |
IsoSpec::IsoGenerator - The generator of isotopologues.
#include <isoSpec++.h>
Inherits IsoSpec::Iso.
Inherited by IsoSpec::IsoLayeredGenerator, IsoSpec::IsoOrderedGenerator, IsoSpec::IsoStochasticGenerator, and IsoSpec::IsoThresholdGenerator.
virtual bool advanceToNextConfiguration ()=0
Advance to the next, not yet visited, most probable isotopologue. virtual
double lprob () const
Get the log-probability of the current isotopologue. virtual double
mass () const
Get the mass of the current isotopologue. virtual double prob () const
Get the probability of the current isotopologue. virtual void
get_conf_signature (int *space) const =0
Write the signature of configuration into target memory location. It must be
large enough to accomodate it. IsoGenerator (Iso
&&iso, bool alloc_partials=true)
Move constructor. virtual ~IsoGenerator ()
Destructor.
const double mode_lprob
double * partialLProbs
double * partialMasses
double * partialProbs
The generator of isotopologues.
This class provides the common interface for all isotopic generators.
Definition at line 183 of file isoSpec++.h.
Move constructor.
Definition at line 442 of file isoSpec++.cpp.
Destructor.
Definition at line 460 of file isoSpec++.cpp.
Advance to the next, not yet visited, most probable isotopologue.
Returns
Implemented in IsoSpec::IsoOrderedGenerator, IsoSpec::IsoThresholdGenerator, IsoSpec::IsoLayeredGenerator, and IsoSpec::IsoStochasticGenerator.
Write the signature of configuration into target memory location. It must be large enough to accomodate it.
Implemented in IsoSpec::IsoOrderedGenerator, IsoSpec::IsoThresholdGenerator, IsoSpec::IsoLayeredGenerator, and IsoSpec::IsoStochasticGenerator.
Get the log-probability of the current isotopologue.
Returns
Reimplemented in IsoSpec::IsoThresholdGenerator, IsoSpec::IsoLayeredGenerator, and IsoSpec::IsoStochasticGenerator.
Definition at line 204 of file isoSpec++.h.
Get the mass of the current isotopologue.
Returns
Reimplemented in IsoSpec::IsoThresholdGenerator, IsoSpec::IsoLayeredGenerator, and IsoSpec::IsoStochasticGenerator.
Definition at line 210 of file isoSpec++.h.
Get the probability of the current isotopologue.
Returns
Reimplemented in IsoSpec::IsoThresholdGenerator, IsoSpec::IsoLayeredGenerator, and IsoSpec::IsoStochasticGenerator.
Definition at line 216 of file isoSpec++.h.
Definition at line 186 of file isoSpec++.h.
The prefix sum of the log-probabilities of the current isotopologue.
Definition at line 189 of file isoSpec++.h.
The prefix sum of the masses of the current isotopologue.
Definition at line 190 of file isoSpec++.h.
The prefix product of the probabilities of the current isotopologue.
Definition at line 191 of file isoSpec++.h.
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| Tue Jan 3 2023 | Version 2.2.1 |