| IsoSpec::IsoOrderedGenerator(3) | IsoSpec | IsoSpec::IsoOrderedGenerator(3) |
IsoSpec::IsoOrderedGenerator - The generator of isotopologues sorted by their probability of occurrence.
#include <isoSpec++.h>
Inherits IsoSpec::IsoGenerator.
IsoOrderedGenerator (const IsoOrderedGenerator
&other)=delete
IsoOrderedGenerator & operator= (const
IsoOrderedGenerator &other)=delete
bool advanceToNextConfiguration () override final
Advance to the next, not yet visited, most probable isotopologue. void
get_conf_signature (int *space) const override final
Save the counts of isotopes in the space. IsoOrderedGenerator
(Iso &&iso, int _tabSize=1000, int _hashSize=1000)
The move-contstructor. virtual ~IsoOrderedGenerator ()
Destructor.
The generator of isotopologues sorted by their probability of occurrence.
The subsequent isotopologues are generated with diminishing probability, starting from the mode. This algorithm take O(N*log(N)) to compute the N isotopologues because of using the Priority Queue data structure. Obtaining the N isotopologues can be achieved in O(N) if they are not required to be spit out in the descending order.
Definition at line 236 of file isoSpec++.h.
The move-contstructor.
Definition at line 814 of file isoSpec++.cpp.
Destructor.
Definition at line 855 of file isoSpec++.cpp.
Advance to the next, not yet visited, most probable isotopologue.
Returns
Implements IsoSpec::IsoGenerator.
Definition at line 867 of file isoSpec++.cpp.
Save the counts of isotopes in the space.
Parameters
Implements IsoSpec::IsoGenerator.
Definition at line 262 of file isoSpec++.h.
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| Tue Jan 3 2023 | Version 2.2.1 |