71 if (
os_) *
os_ <<
"test()\n";
75 shared_ptr<istream> is(
new istringstream(
testMGF));
102 IndexList list = sl->findSpotID(
"small.pwiz.0004.0004.2");
108 list = sl->findSpotID(
"fake title string");
114 unit_assert(sl->spectrumIdentity(0).id ==
"index=0");
115 unit_assert(sl->spectrumIdentity(0).sourceFilePosition != -1);
130 Precursor& precursor0 = s->precursors[0];
137 s = sl->spectrum(0,
true);
140 unit_assert(!s->binaryDataArrayPtrs[0]->data.empty() && !s->binaryDataArrayPtrs[1]->data.empty());
142 vector<MZIntensityPair> pairs;
143 s->getMZIntensityPairs(pairs);
148 copy(pairs.begin(), pairs.end(), ostream_iterator<MZIntensityPair>(*
os_,
"\n"));
156 unit_assert(sl->spectrumIdentity(1).id ==
"index=1");
158 s = sl->spectrum(1,
true);
169 Precursor& precursor1 = s->precursors[0];
177 s->getMZIntensityPairs(pairs);
179 unit_assert(s->defaultArrayLength == pairs.size());
184 copy(pairs.begin(), pairs.end(), ostream_iterator<MZIntensityPair>(*
os_,
"\n"));
191 unit_assert(sl->spectrumIdentity(2).id ==
"index=2");
193 s = sl->spectrum(2,
true);
202 Precursor& precursor2 = s->precursors[0];
MS_charge_state
charge state: The charge state of the ion, single or multiple and positive or negatively charged...
MS_base_peak_intensity
base peak intensity: The intensity of the greatest peak in the mass spectrum.
std::vector< InstrumentConfigurationPtr > instrumentConfigurationPtrs
list and descriptions of instrument configurations.
The method of precursor ion selection and activation.
boost::shared_ptr< Spectrum > SpectrumPtr
MS_total_ion_current
total ion current: The sum of all the separate ion currents carried by the ions of different m/z cont...
MS_scan_start_time
scan start time: The time that an analyzer started a scan, relative to the start of the MS run...
#define unit_assert_equal(x, y, epsilon)
MS_LCQ_Deca
LCQ Deca: ThermoFinnigan LCQ Deca.
MS_ms_level
ms level: Stages of ms achieved in a multi stage mass spectrometry experiment.
MS_selected_ion_m_z
selected ion m/z: Mass-to-charge ratio of an selected ion.
Uncontrolled user parameters (essentially allowing free text). Before using these, one should verify whether there is an appropriate CV term available, and if so, use the CV term instead.
#define unit_assert_operator_equal(expected, actual)
MS_base_peak_m_z
base peak m/z: M/z value of the signal of highest intensity in the mass spectrum. ...
PWIZ_API_DECL void write(minimxml::XMLWriter &writer, const CV &cv)
boost::shared_ptr< SpectrumList > SpectrumListPtr
Description of a particular hardware configuration of a mass spectrometer. Each configuration MUST ha...
boost::shared_ptr< InstrumentConfiguration > InstrumentConfigurationPtr
MS_possible_charge_state
possible charge state: A possible charge state of the ion in a situation where the charge of an ion i...
MS_spectrum_title
spectrum title: A free-form text title describing a spectrum.
This is the root element of ProteoWizard; it represents the mzML element, defined as: intended to cap...
MS_negative_scan
negative scan: Polarity of the scan is negative.