ProteoWizard
Functions
NeighborJoinerTest.cpp File Reference
#include "NeighborJoiner.hpp"
#include "pwiz/utility/misc/unit.hpp"

Go to the source code of this file.

Functions

boost::shared_ptr< SpectrumQuerymakeSpectrumQuery (double precursorNeutralMass, double rt, int charge, string sequence, double score, int startScan, int endScan)
void test ()
int main ()

Function Documentation

boost::shared_ptr<SpectrumQuery> makeSpectrumQuery ( double  precursorNeutralMass,
double  rt,
int  charge,
string  sequence,
double  score,
int  startScan,
int  endScan 
)

Definition at line 34 of file NeighborJoinerTest.cpp.

References pwiz::data::pepxml::PeptideProphetResult::allNttProb, pwiz::data::pepxml::AnalysisResult::analysis, pwiz::data::pepxml::SearchHit::analysisResult, pwiz::data::pepxml::SearchHit::peptide, pwiz::data::pepxml::AnalysisResult::peptideProphetResult, pwiz::data::pepxml::PeptideProphetResult::probability, and pwiz::data::pepxml::SearchResult::searchHit.

{
boost::shared_ptr<SpectrumQuery> spectrumQuery(new SpectrumQuery());
spectrumQuery->startScan = startScan;
spectrumQuery->endScan = endScan;
spectrumQuery->precursorNeutralMass = precursorNeutralMass;
spectrumQuery->assumedCharge = charge;
spectrumQuery->retentionTimeSec = rt;
SearchResult searchResult;
SearchHit searchHit;
searchHit.peptide = sequence;
AnalysisResult analysisResult;
analysisResult.analysis = "peptideprophet";
ppresult.probability = score;
ppresult.allNttProb.push_back(0);
ppresult.allNttProb.push_back(0);
ppresult.allNttProb.push_back(score);
analysisResult.peptideProphetResult = ppresult;
searchHit.analysisResult = analysisResult;
searchResult.searchHit = searchHit;
spectrumQuery->searchResult = searchResult;
return spectrumQuery;
}
void test ( )

Definition at line 68 of file NeighborJoinerTest.cpp.

References makeSpectrumQuery(), and unit_assert.

{
vector<boost::shared_ptr<SpectrumQuery> > testSpectrumQueries;
testSpectrumQueries.push_back(makeSpectrumQuery(550.82, 83.46, 3, "MAHTOMEDI", .95, 612, 651));
testSpectrumQueries.push_back(makeSpectrumQuery(02.139, 02.142, 3, "CAMBRIDGE", .95, 617, 857));
testSpectrumQueries.push_back(makeSpectrumQuery(904.04, 913.60, 3, "MAHTOMEDI", .95, 310, 805));
testSpectrumQueries.push_back(makeSpectrumQuery(537.17, 53.703, 3, "MAHTOMEDI", .96, 608, 715));
PidfPtr four(new PeptideID_dataFetcher(testSpectrumQueries));
testSpectrumQueries.erase(testSpectrumQueries.begin());
testSpectrumQueries.erase(testSpectrumQueries.begin());
PidfPtr two(new PeptideID_dataFetcher(testSpectrumQueries));
testSpectrumQueries.erase(testSpectrumQueries.begin());
PidfPtr one(new PeptideID_dataFetcher(testSpectrumQueries));
boost::shared_ptr<Feature_dataFetcher> dummy_fdf(new Feature_dataFetcher());
boost::shared_ptr<AMTContainer> cuatro(new AMTContainer());
cuatro->_pidf = four;
cuatro->_fdf = dummy_fdf;
boost::shared_ptr<AMTContainer> dos(new AMTContainer());
dos->_pidf = two;
dos->_fdf = dummy_fdf;
boost::shared_ptr<AMTContainer> uno(new AMTContainer());
uno->_pidf = one;
uno->_fdf = dummy_fdf;
vector<boost::shared_ptr<AMTContainer> > testEntries;
testEntries.push_back(cuatro);
testEntries.push_back(dos);
testEntries.push_back(uno);
NeighborJoiner neighborJoiner(testEntries);
boost::shared_ptr<NumberOfMS2IDs> numpep(new NumberOfMS2IDs());
neighborJoiner.addDistanceAttribute(numpep);
neighborJoiner.calculateDistanceMatrix();
neighborJoiner.joinNearest();
// make the merger that we are looking for
dos->merge(*uno);
unit_assert(neighborJoiner._rowEntries.back() == *dos);
unit_assert(neighborJoiner._columnEntries.back() == *dos);
neighborJoiner.calculateDistanceMatrix(); //recalculate given the recent merger
neighborJoiner.joinNearest();
// make the merger that we are looking for
cuatro->merge(*dos);
unit_assert(neighborJoiner._rowEntries.back() == *cuatro);
unit_assert(neighborJoiner._columnEntries.back() == *cuatro);
}
int main ( )

Definition at line 124 of file NeighborJoinerTest.cpp.

References test().

{
test();
return 0;
}