28 #include "boost/filesystem/path.hpp"
37 namespace bfs = boost::filesystem;
43 void verifyScanInfo(
const Spectrum& spectrum,
const double&
epsilon,
double basePeakMZ,
double lowestObservedMZ,
double highestObservedMZ,
int mzArrayIndex1,
double mzArrayValue1,
int mzArrayIndex2,
double mzArrayValue2)
50 *
os_ <<
"[verifyScanInfo] " << spectrum.
index <<
" " << spectrum.
id <<
" "
51 << basePeakMZ <<
" " << lowestObservedMZ <<
" " << highestObservedMZ <<
" "
52 << mzArrayValue1 <<
" " << mzArrayValue2 <<
": "
55 << binaryData->data[mzArrayIndex2] << endl;
77 *
os_ <<
"[verifyPrecursorInfo] " << spectrum.
index <<
" " << spectrum.
id <<
" "
78 << precursorMZ <<
" " << isolationWindowTarget <<
": "
88 MSDataFile msd((datadir /
"JD_06232014_sample4_C.mzML").
string());
91 if (
os_) *
os_ <<
"original spectra:\n";
108 shared_ptr<SpectrumList_MZRefiner> spectrumListMZRefined(
112 if (
os_) *
os_ <<
"refined spectra:\n";
127 bfs::remove(datadir /
"JD_06232014_sample4_C.mzRefinement.tsv");
131 void test(
const bfs::path& datadir)
137 int main(
int argc,
char* argv[])
143 bfs::path datadir =
".";
146 for (
int i=1; i<argc; i++)
148 if (!strcmp(argv[i],
"-v"))
154 datadir = bfs::path(argv[i]).branch_path();
157 if (argc>1 && !strcmp(argv[1],
"-v"))
os_ = &cout;