66 unit_assert(sl->spectrumIdentity(0).id ==
"scan=20");
68 vector<double> profileData(sl->spectrum(0)->getMZArray()->data);
82 vector<double> peakData(sl->spectrum(0)->getMZArray()->data);
100 double timeHighInSeconds = 5.9 * 60;
102 oss <<
"scanTime [0," << timeHighInSeconds <<
"]";
105 unit_assert(sl->spectrumIdentity(0).id ==
"scan=19");
106 unit_assert(sl->spectrumIdentity(1).id ==
"sample=1 period=1 cycle=23 experiment=1");
124 unit_assert(sl->spectrumIdentity(0).id ==
"scan=21");
125 unit_assert(sl->spectrumIdentity(1).id ==
"scan=19");
126 unit_assert(sl->spectrumIdentity(2).id ==
"sample=1 period=1 cycle=23 experiment=1");
138 vector<MZIntensityPair> data;
139 spectrum->getMZIntensityPairs(data);
144 spectrum = sl->spectrum(0,
true);
145 spectrum->getMZIntensityPairs(data);
148 spectrum = sl->spectrum(1,
true);
149 spectrum->getMZIntensityPairs(data);
203 SpectrumListFactory::wrap(msd,
"chargeStatePredictor overrideExistingCharge=false maxMultipleCharge=3 minMultipleCharge=2 singleChargeFractionTIC=0.9 maxKnownCharge=4 makeMS2=true");
441 SpectrumListFactory::wrap(msd,
"titleMaker <ScanNumber> <MsLevel> <ActivationType> <ChargeState> <PrecursorSpectrumId>");
456 for (
size_t i=0; i<5; ++i)
459 ostringstream filterLine;
462 filterLine <<
"FTMS + p NSI SIM ms [595.0000-655.0000]";
464 filterLine <<
"FTMS + c NSI Full ms2 " << (i + 4) * 100 <<
".0000@etd30.00 [100.0000-2000.0000]";
466 filterLine <<
"ITMS + c NSI Full ms2 " << (i + 4) * 100 <<
".0000@cid30.00 [100.0000-2000.0000]";
468 filterLine <<
"FTMS + p NSI SIM ms [395.0000-1005.0000]";
470 filterLine <<
"ITMS + c NSI Full ms2 " << (i + 4) * 100 <<
".0000@hcd30.00 [100.0000-2000.0000]";
485 unit_assert(sl->spectrumIdentity(0).id ==
"scan=22");
492 cout << sl->size()<<endl;
494 unit_assert(sl->spectrumIdentity(0).id ==
"scan=19");
495 unit_assert(sl->spectrumIdentity(1).id ==
"scan=20");
496 unit_assert(sl->spectrumIdentity(2).id ==
"scan=21");
497 unit_assert(sl->spectrumIdentity(3).id ==
"sample=1 period=1 cycle=23 experiment=1");
505 unit_assert(sl->spectrumIdentity(0).id ==
"scan=22");
514 unit_assert(sl->spectrumIdentity(0).id ==
"scan=19");
515 unit_assert(sl->spectrumIdentity(1).id ==
"scan=20");
516 unit_assert(sl->spectrumIdentity(2).id ==
"scan=21");
517 unit_assert(sl->spectrumIdentity(3).id ==
"scan=22");
518 unit_assert(sl->spectrumIdentity(4).id ==
"sample=1 period=1 cycle=23 experiment=1");
684int main(
int argc,
char* argv[])
690 if (argc>1 && !strcmp(argv[1],
"-v"))
os_ = &cout;
int main(int argc, char *argv[])
void testWrapThermoScanFilter()
void testWrapScanTimeRange()
void testWrapMassAnalyzer()
void testWrapDefaultArrayLength()
void testWrapPrecursorMzSet()
void testWrapChargeState()
void intializeTinyWithThermoFilter(MSData &msd)
void testWrapTitleMaker()
void testWrapSortScanTime()
void testWrapChargeStatePredictor()
void testWrapActivation()
static void wrap(msdata::MSData &msd, const std::string &wrapper, pwiz::util::IterationListenerRegistry *ilr=NULL)
instantiate the SpectrumListWrapper indicated by wrapper
static std::string usage(bool detailedHelp=true, const char *morehelp_prompt=NULL, int maxLineLength=80)
user-friendly documentation, with option of less or more detail
UO_minute
minute: A time unit which is equal to 60 seconds.
MS_filter_string
filter string: A string unique to Thermo instrument describing instrument settings for the scan.
MS_spectrum_title
spectrum title: A free-form text title describing a spectrum.
MS_scan_start_time
scan start time: The time that an analyzer started a scan, relative to the start of the MS run.
UO_second
second: A time unit which is equal to the duration of 9 192 631 770 periods of the radiation correspo...
PWIZ_API_DECL void initializeTiny(MSData &msd)
boost::shared_ptr< SpectrumList > SpectrumListPtr
boost::shared_ptr< Spectrum > SpectrumPtr
This is the root element of ProteoWizard; it represents the mzML element, defined as: intended to cap...
Run run
a run in mzML should correspond to a single, consecutive and coherent set of scans on an instrument.
std::vector< DataProcessingPtr > allDataProcessingPtrs() const
return dataProcessingPtrs augmented by the dataProcessingPtr() set in SpectrumList and/or Chromatogra...
SpectrumListPtr spectrumListPtr
all mass spectra and the acquisitions underlying them are described and attached here....
#define unit_assert_throws(x, exception)
#define unit_assert_operator_equal(expected, actual)
#define unit_assert_throws_what(x, exception, whatStr)
#define TEST_PROLOG(argc, argv)