| IsoSpec::IsoOrderedGenerator(3) | IsoSpec | IsoSpec::IsoOrderedGenerator(3) |
NAME¶
IsoSpec::IsoOrderedGenerator - The generator of isotopologues sorted by their probability of occurrence.
SYNOPSIS¶
#include <isoSpec++.h>
Inherits IsoSpec::IsoGenerator.
Public Member Functions¶
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.
Additional Inherited Members¶
Detailed Description¶
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.
Constructor & Destructor Documentation¶
IsoSpec::IsoOrderedGenerator::IsoOrderedGenerator (Iso && iso, int _tabSize = 1000, int _hashSize = 1000)¶
The move-contstructor.
Definition at line 814 of file isoSpec++.cpp.
IsoSpec::IsoOrderedGenerator::~IsoOrderedGenerator () [virtual]¶
Destructor.
Definition at line 855 of file isoSpec++.cpp.
Member Function Documentation¶
bool IsoSpec::IsoOrderedGenerator::advanceToNextConfiguration () [final], [override], [virtual]¶
Advance to the next, not yet visited, most probable isotopologue.
Returns
Implements IsoSpec::IsoGenerator.
Definition at line 867 of file isoSpec++.cpp.
void IsoSpec::IsoOrderedGenerator::get_conf_signature (int * space) const [inline], [final], [override], [virtual]¶
Save the counts of isotopes in the space.
Parameters
Implements IsoSpec::IsoGenerator.
Definition at line 262 of file isoSpec++.h.
Author¶
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| Tue Jan 3 2023 | Version 2.2.1 |