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");
684 int main(
int argc,
char* argv[])
690 if (argc>1 && !strcmp(argv[1],
"-v"))
os_ = &cout;
#define unit_assert_throws_what(x, exception, whatStr)
void testWrapScanTimeRange()
#define unit_assert_throws(x, exception)
void testWrapMassAnalyzer()
void intializeTinyWithThermoFilter(MSData &msd)
void testWrapTitleMaker()
boost::shared_ptr< Spectrum > SpectrumPtr
MS_scan_start_time
scan start time: The time that an analyzer started a scan, relative to the start of the MS run...
void testWrapActivation()
void testWrapDefaultArrayLength()
UO_second
second: A time unit which is equal to the duration of 9 192 631 770 periods of the radiation correspo...
MS_filter_string
filter string: A string unique to Thermo instrument describing instrument settings for the scan...
void testWrapThermoScanFilter()
int main(int argc, char *argv[])
void testWrapChargeStatePredictor()
#define unit_assert_operator_equal(expected, actual)
Run run
a run in mzML should correspond to a single, consecutive and coherent set of scans on an instrument...
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
boost::shared_ptr< SpectrumList > SpectrumListPtr
void testWrapPrecursorMzSet()
UO_minute
minute: A time unit which is equal to 60 seconds.
SpectrumListPtr spectrumListPtr
all mass spectra and the acquisitions underlying them are described and attached here. Subsidiary data arrays are also both described and attached here.
std::vector< DataProcessingPtr > allDataProcessingPtrs() const
return dataProcessingPtrs augmented by the dataProcessingPtr() set in SpectrumList and/or Chromatogra...
MS_spectrum_title
spectrum title: A free-form text title describing a spectrum.
void testWrapChargeState()
PWIZ_API_DECL void initializeTiny(IdentData &mzid)
void testWrapSortScanTime()
#define TEST_PROLOG(argc, argv)
static void wrap(msdata::MSData &msd, const std::string &wrapper, pwiz::util::IterationListenerRegistry *ilr=NULL)
instantiate the SpectrumListWrapper indicated by wrapper
This is the root element of ProteoWizard; it represents the mzML element, defined as: intended to cap...