NAME

       IsoSpec::IsoGenerator - The generator of isotopologues.

SYNOPSIS

       #include <isoSpec++.h>

       Inherits IsoSpec::Iso.

       Inherited by IsoSpec::IsoLayeredGenerator, IsoSpec::IsoOrderedGenerator,
       IsoSpec::IsoStochasticGenerator, and IsoSpec::IsoThresholdGenerator.

   Public Member Functions
       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.

   Public Attributes
       const double mode_lprob

   Protected Attributes
       double * partialLProbs
       double * partialMasses
       double * partialProbs

   Additional Inherited Members

Detailed Description

       The generator of isotopologues.

       This class provides the common interface for all isotopic generators.

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

Member Function Documentation

   virtual bool IsoSpec::IsoGenerator::advanceToNextConfiguration () [pure virtual]
       Advance to the next, not yet visited, most probable isotopologue.

       Returns
           Return false if it is not possible to advance.

       Implemented in IsoSpec::IsoStochasticGenerator, IsoSpec::IsoLayeredGenerator,
       IsoSpec::IsoThresholdGenerator, and IsoSpec::IsoOrderedGenerator.

   virtual double IsoSpec::IsoGenerator::lprob () const [inline],  [virtual]
       Get the log-probability of the current isotopologue.

       Returns
           The log-probability of the current isotopologue.

       Reimplemented in IsoSpec::IsoStochasticGenerator, IsoSpec::IsoLayeredGenerator, and
       IsoSpec::IsoThresholdGenerator.

       Definition at line 204 of file isoSpec++.h.

   virtual double IsoSpec::IsoGenerator::mass () const [inline],  [virtual]
       Get the mass of the current isotopologue.

       Returns
           The mass of the current isotopologue.

       Reimplemented in IsoSpec::IsoStochasticGenerator, IsoSpec::IsoLayeredGenerator, and
       IsoSpec::IsoThresholdGenerator.

       Definition at line 210 of file isoSpec++.h.

   virtual double IsoSpec::IsoGenerator::prob () const [inline],  [virtual]
       Get the probability of the current isotopologue.

       Returns
           The probability of the current isotopologue.

       Reimplemented in IsoSpec::IsoStochasticGenerator, IsoSpec::IsoLayeredGenerator, and
       IsoSpec::IsoThresholdGenerator.

       Definition at line 216 of file isoSpec++.h.

Member Data Documentation

   double* IsoSpec::IsoGenerator::partialLProbs [protected]
       The prefix sum of the log-probabilities of the current isotopologue.

       Definition at line 189 of file isoSpec++.h.

   double* IsoSpec::IsoGenerator::partialMasses [protected]
       The prefix sum of the masses of the current isotopologue.

       Definition at line 190 of file isoSpec++.h.

   double* IsoSpec::IsoGenerator::partialProbs [protected]
       The prefix product of the probabilities of the current isotopologue.

       Definition at line 191 of file isoSpec++.h.

Author

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