Go to the documentation of this file.
23 #ifndef _SPECTRUMLIST_AGILENT_
24 #define _SPECTRUMLIST_AGILENT_
37 #ifdef PWIZ_READER_AGILENT
38 #include "pwiz_aux/msrc/utility/vendor_api/Agilent/MassHunterData.hpp"
40 #include <boost/thread.hpp>
41 using namespace pwiz::vendor_api::Agilent;
42 #endif // PWIZ_READER_AGILENT
49 using boost::shared_ptr;
55 virtual size_t size()
const;
57 virtual size_t find(
const string&
id)
const;
70 #ifdef PWIZ_READER_AGILENT
76 MassHunterDataPtr rawfile_;
79 mutable boost::mutex readMutex;
80 mutable int lastFrameIndex_;
81 mutable pwiz::vendor_api::Agilent::FramePtr lastFrame_;
82 mutable int lastRowNumber_;
83 mutable ScanRecordPtr lastScanRecord_;
95 mutable vector<IndexEntry> index_;
96 mutable map<string, size_t> idToIndexMap_;
97 mutable boost::container::flat_map<double, size_t> scanTimeToFrameMap_;
99 void createIndex()
const;
100 #endif // PWIZ_READER_AGILENT
108 #endif // _SPECTRUMLIST_AGILENT_
Identifying information for a spectrum.
virtual SpectrumPtr spectrum(size_t index, DetailLevel detailLevel, const pwiz::util::IntegerSet &msLevelsToCentroid) const
virtual SpectrumPtr spectrum(size_t index, DetailLevel detailLevel) const
retrieve a spectrum by index
virtual SpectrumPtr spectrum(size_t index, bool getBinaryData) const
retrieve a spectrum by index
virtual double ccsToIonMobility(double ccs, double mz, int charge) const
virtual pwiz::analysis::Spectrum3DPtr spectrum3d(double scanStartTime, const boost::icl::interval_set< double > &driftTimeRanges) const
boost::shared_ptr< Spectrum > SpectrumPtr
virtual double ionMobilityToCCS(double driftTime, double mz, int charge) const
virtual bool hasIonMobility() const
double mz(double neutralMass, int protonDelta, int electronDelta=0, int neutronDelta=0)
virtual const SpectrumIdentity & spectrumIdentity(size_t index) const
access to a spectrum index
virtual SpectrumPtr spectrum(size_t index, bool getBinaryData, const pwiz::util::IntegerSet &msLevelsToCentroid) const
boost::shared_ptr< Spectrum3D > Spectrum3DPtr
This is the root element of ProteoWizard; it represents the mzML element, defined as: intended to cap...
virtual size_t size() const
returns the number of spectra
virtual size_t find(const string &id) const
find id in the spectrum index (returns size() on failure)
virtual bool canConvertIonMobilityAndCCS() const
a virtual container of integers, accessible via an iterator interface, stored as union of intervals