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cSpectrumComparatorThreadMS2.h
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7#ifndef _CSPECTRUMCOMPARATORTHREADMS2_H
8#define _CSPECTRUMCOMPARATORTHREADMS2_H
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10#include <QRunnable>
11#include <QObject>
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24bool comparePaths(vector<nodeEdge>& a, vector<nodeEdge>& b);
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93class cSpectrumComparatorThreadMS2 : public QObject, public QRunnable {
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95 Q_OBJECT
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97private:
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99 cCandidate candidate;
100 cPeaksList peaklist;
101 cTheoreticalSpectrumList* theoreticalspectrumlist;
102 cParameters* parameters;
103 regex* rxsequencetag;
104 regex* rxsearchedsequence;
105 double lastavailableworstscore;
106 bool* terminatecomputation;
107 cBricksDatabase* bricksdatabasewithcombinations;
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109public:
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124 void initialize(cCandidate& candidate, cPeaksList& peaklist, cBricksDatabase* bricksdatabasewithcombinations, cTheoreticalSpectrumList* theoreticalspectrumlist, cParameters* parameters, regex* rxsequencetag, regex* rxsearchedsequence, double currentworstscore, bool* terminatecomputation);
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127protected:
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133 void run();
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135};
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138#endif
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bool compareWeightedRatioDesc(const cTheoreticalSpectrum &a, const cTheoreticalSpectrum &b)
Compare scores of two theoretical spectra (weighted ratio of matched peaks).
Definition: cSpectrumComparatorThreadMS2.cpp:165
bool compareNumberOfMatchedPeaksDesc(const cTheoreticalSpectrum &a, const cTheoreticalSpectrum &b)
Compare scores of two theoretical spectra (number of matched peaks).
Definition: cSpectrumComparatorThreadMS2.cpp:143
bool compareYandAllIonsDesc(const cTheoreticalSpectrum &a, const cTheoreticalSpectrum &b)
Compare scores of two theoretical spectra (number of y-ions and all ions as a secondary score).
Definition: cSpectrumComparatorThreadMS2.cpp:92
bool compareYBandAllIonsDesc(const cTheoreticalSpectrum &a, const cTheoreticalSpectrum &b)
Compare scores of two theoretical spectra (number of b-ions + y-ions and all ions as a secondary scor...
Definition: cSpectrumComparatorThreadMS2.cpp:63
bool compareBandAllIonsDesc(const cTheoreticalSpectrum &a, const cTheoreticalSpectrum &b)
Compare scores of two theoretical spectra (number of b-ions and all ions secondly).
Definition: cSpectrumComparatorThreadMS2.cpp:34
bool compareCosineSimilarityDesc(const cTheoreticalSpectrum &a, const cTheoreticalSpectrum &b)
Compare scores of two theoretical spectra (cosine similarity).
Definition: cSpectrumComparatorThreadMS2.cpp:187
bool compareSumOfRelIntDesc(const cTheoreticalSpectrum &a, const cTheoreticalSpectrum &b)
Compare scores of two theoretical spectra (sum of relative intensities of matched peaks).
Definition: cSpectrumComparatorThreadMS2.cpp:121
bool comparePaths(vector< nodeEdge > &a, vector< nodeEdge > &b)
Compare two paths of a peptide sequence candidate as a string.
Definition: cSpectrumComparatorThreadMS2.cpp:6
The representation of a theoretical mass spectrum.
The class representing a database of building blocks (bricks).
Definition: cBricksDatabase.h:66
The class representing a peptide sequence candidate.
Definition: cCandidate.h:131
The class storing parameters of the application.
Definition: cParameters.h:82
The class representing a peak list.
Definition: cPeaksList.h:68
The class representing a thread for comparison of a theoretical spectrum with a peak list (MS2 level)...
Definition: cSpectrumComparatorThreadMS2.h:93
void run()
The main method of the thread.
Definition: cSpectrumComparatorThreadMS2.cpp:222
void initialize(cCandidate &candidate, cPeaksList &peaklist, cBricksDatabase *bricksdatabasewithcombinations, cTheoreticalSpectrumList *theoreticalspectrumlist, cParameters *parameters, regex *rxsequencetag, regex *rxsearchedsequence, double currentworstscore, bool *terminatecomputation)
Initialize the spectrum comparator.
Definition: cSpectrumComparatorThreadMS2.cpp:209
The class representing a theoretical mass spectrum.
Definition: cTheoreticalSpectrum.h:106
The class representing lists of theoretical spectra.
Definition: cTheoreticalSpectrumList.h:25