CycloBranch
cTheoreticalSpectrum Member List

This is the complete list of members for cTheoreticalSpectrum, including all inherited members.

attach(cTheoreticalSpectrum &secondtheoreticalspectrum)cTheoreticalSpectrum
clear(bool clearpeaklist=true)cTheoreticalSpectrum
compareAverageMSSpectrum(cPeaksList &averagespectrum, cTheoreticalSpectrum &tsfull, cPeaksList &unmatchedpeaksinmatchedpatterns)cTheoreticalSpectrum
compareBranchCyclic(cPeaksList &sortedpeaklist, cBricksDatabase &bricksdatabasewithcombinations, bool writedescription, regex &sequencetag, regex &searchedsequence, cPeaksList &unmatchedpeaksinmatchedpatterns, unordered_map< string, int > *isotopeformuladesctoid)cTheoreticalSpectrum
compareBranched(cPeaksList &sortedpeaklist, cBricksDatabase &bricksdatabasewithcombinations, bool writedescription, regex &sequencetag, regex &searchedsequence, cPeaksList &unmatchedpeaksinmatchedpatterns, unordered_map< string, int > *isotopeformuladesctoid)cTheoreticalSpectrum
compareCyclic(cPeaksList &sortedpeaklist, cBricksDatabase &bricksdatabasewithcombinations, bool writedescription, regex &sequencetag, regex &searchedsequence, cPeaksList &unmatchedpeaksinmatchedpatterns, unordered_map< string, int > *isotopeformuladesctoid)cTheoreticalSpectrum
compareCyclicPolyketide(cPeaksList &sortedpeaklist, cBricksDatabase &bricksdatabasewithcombinations, bool writedescription, regex &sequencetag, regex &searchedsequence, cPeaksList &unmatchedpeaksinmatchedpatterns, unordered_map< string, int > *isotopeformuladesctoid)cTheoreticalSpectrum
compareLinear(cPeaksList &sortedpeaklist, cBricksDatabase &bricksdatabasewithcombinations, bool writedescription, regex &sequencetag, regex &searchedsequence, cPeaksList &unmatchedpeaksinmatchedpatterns, unordered_map< string, int > *isotopeformuladesctoid)cTheoreticalSpectrum
compareLinearPolyketide(cPeaksList &sortedpeaklist, cBricksDatabase &bricksdatabasewithcombinations, bool writedescription, regex &sequencetag, regex &searchedsequence, cPeaksList &unmatchedpeaksinmatchedpatterns, unordered_map< string, int > *isotopeformuladesctoid)cTheoreticalSpectrum
compareMSSpectrum(int id, int peaklistseriesvectorid, cTheoreticalSpectrum &tsfull, cPeaksList &unmatchedpeaksinmatchedpatterns, vector< vector< int > > &hintsindex, bool lcmsrt, bool skipcomparison)cTheoreticalSpectrum
compareOther(cPeaksList &sortedpeaklist, bool writedescription, cPeaksList &unmatchedpeaksinmatchedpatterns, unordered_map< string, int > *isotopeformuladesctoid)cTheoreticalSpectrum
cTheoreticalSpectrum()cTheoreticalSpectrum
cTheoreticalSpectrum(cParameters *parameters, cCandidate &candidate)cTheoreticalSpectrum
equals(cTheoreticalSpectrum &secondtheoreticalspectrum)cTheoreticalSpectrum
finalizeMSSpectrum(cPeaksList &unmatchedpeaksinmatchedpatterns, bool writedescription)cTheoreticalSpectrum
generateCTerminalFragmentIons(int maxcharge, int &peaklistrealsize, vector< int > &intcomposition, eFragmentIonType fragmentiontype, int neutrallosstype, cBricksDatabase &bricksdatabase, bool writedescription, int rotationid, vector< splitSite > &splittingsites, vector< cFragmentIonType > &searchedmodifications, ePeptideType peptidetype, bool regularblocksorder, TRotationInfo *trotation=0, eResidueLossType rightresiduelosstype=h2o_loss, bool haslastblockartificial=false)cTheoreticalSpectrum
generateFineMSSpectrum(int sequencestart, int sequencestop, bool &terminatecomputation)cTheoreticalSpectrum
generateMSSpectrum(int sequencestart, int sequencestop, bool &terminatecomputation, bool writedescription)cTheoreticalSpectrum
generateNTerminalFragmentIons(int maxcharge, int &peaklistrealsize, vector< int > &intcomposition, eFragmentIonType fragmentiontype, int neutrallosstype, cBricksDatabase &bricksdatabase, bool writedescription, int rotationid, vector< splitSite > &splittingsites, vector< cFragmentIonType > &searchedmodifications, ePeptideType peptidetype, bool regularblocksorder, TRotationInfo *trotation=0, eResidueLossType leftresiduelosstype=h2o_loss, bool hasfirstblockartificial=false)cTheoreticalSpectrum
getCandidate()cTheoreticalSpectrum
getCosineSimilarity() constcTheoreticalSpectrum
getCoverageBySeries()cTheoreticalSpectrum
getDecoyScores()cTheoreticalSpectrum
getExperimentalMatches(int peakid)cTheoreticalSpectrum
getExperimentalSpectrum()cTheoreticalSpectrum
getHintsIndex(int id, int peaklistseriesvectorid, cTheoreticalSpectrum &tsfull, cPeaksList &unmatchedpeaksinmatchedpatterns, vector< vector< int > > &hintsindex, bool lcmsrt, bool skipcomparison)cTheoreticalSpectrum
getLabelsOfRotations()cTheoreticalSpectrum
getNumberOfCompletedSeries()cTheoreticalSpectrum
getNumberOfMatchedPeaks() constcTheoreticalSpectrum
getNumberOfMatchedPeaks(eFragmentIonType iontype, int neutrallosstype) constcTheoreticalSpectrum
getNumberOfMatchedPeaksB() constcTheoreticalSpectrum
getNumberOfMatchedPeaksY() constcTheoreticalSpectrum
getNumberOfMatchedPeaksYB() constcTheoreticalSpectrum
getNumberOfPeaks()cTheoreticalSpectrum
getNumberOfScrambledPeaks()cTheoreticalSpectrum
getPathId() constcTheoreticalSpectrum
getRatioOfMatchedPeaks()cTheoreticalSpectrum
getReverseValidPosition()cTheoreticalSpectrum
getSumOfRelativeIntensities() constcTheoreticalSpectrum
getTargetPatternFDR(int groupid)cTheoreticalSpectrum
getTargetPatternScore(int groupid)cTheoreticalSpectrum
getTargetScores()cTheoreticalSpectrum
getTheoreticalPeaks()cTheoreticalSpectrum
getUnmatchedExperimentalPeaksCount()cTheoreticalSpectrum
getValidPosition()cTheoreticalSpectrum
getWeightedRatioOfMatchedPeaks() constcTheoreticalSpectrum
isValid()cTheoreticalSpectrum
load(ifstream &is, int fileversionpart1, int fileversionpart2, int fileversionpart3)cTheoreticalSpectrum
operator[](int position)cTheoreticalSpectrum
resizePeakList(int size)cTheoreticalSpectrum
setCandidate(cCandidate &candidate)cTheoreticalSpectrum
setExperimentalSpectrum(cPeaksList &experimentalspectrum)cTheoreticalSpectrum
setFDRs(vector< double > &targetscoresvector, vector< double > &fdrs, cPeaksList &unmatchedpeaksinmatchedpatterns)cTheoreticalSpectrum
setNumberOfCompletedSeries(int numberofcompletedseries)cTheoreticalSpectrum
setParameters(cParameters *parameters)cTheoreticalSpectrum
setPathId(int pathid)cTheoreticalSpectrum
setValidSequence(regex &searchedsequence)cTheoreticalSpectrum
sortByMass(int limit=-1)cTheoreticalSpectrum
store(ofstream &os)cTheoreticalSpectrum