IsoSpec::IsoOrderedGenerator

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

Return false if it is not possible to advance.

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

space An array where counts of isotopes shall be written. Must be as big as the overall number of isotopes.

Implements IsoSpec::IsoGenerator.

Definition at line 262 of file isoSpec++.h.

Author

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