SpectrumList implementation to add (or replace) a spectrum title to each spectrum according to a user-specified format.
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#include <SpectrumList_TitleMaker.hpp>
List of all members.
Public Member Functions |
| SpectrumList_TitleMaker (const msdata::MSData &msd, const std::string &format) |
| The format string recognizes some keywords to replace with the appropriate field: <RunId> - Run::id <Index> - SpectrumIdentity::index <Id> - SpectrumIdentity::id (nativeID) <ScanNumber> - if the nativeID can be represented as a single number, that number, else index <ActivationType> - for the first precursor, Activation::cvParamChild("dissociation method") <IsolationMz> - for the first precursor, IsolationWindow::cvParam("isolation target m/z") <SelectedIonMz> - for the first selected ion of the first precursor, SelectedIon::cvParam("selected ion m/z") <ChargeState> - for the first selected ion of the first precursor, SelectedIon::cvParam("charge state") <SpectrumType> - Spectrum::cvParamChild("spectrum type") <ScanStartTimeInSeconds> - for the first scan, Scan::cvParam("scan start time") converted to seconds <ScanStartTimeInMinutes> - for the first scan, Scan::cvParam("scan start time") converted to minutes <BasePeakMz> - Spectrum::cvParam("base peak m/z") <BasePeakIntensity> - Spectrum::cvParam("base peak intensity") <TotalIonCurrent> - Spectrum::cvParam("total ion current")
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virtual msdata::SpectrumPtr | spectrum (size_t index, bool getBinaryData=false) const |
| retrieve a spectrum by index
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| SpectrumListWrapper (const SpectrumListPtr &inner) |
virtual size_t | size () const |
| returns the number of spectra
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virtual bool | empty () const |
| returns true iff (size() == 0) and (dataProcessingPtr.get() == NULL)
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virtual const SpectrumIdentity & | spectrumIdentity (size_t index) const |
| access to a spectrum index
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virtual SpectrumPtr | spectrum (size_t index, DetailLevel detailLevel) const |
| retrieve a spectrum by index
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virtual const
boost::shared_ptr< const
DataProcessing > | dataProcessingPtr () const |
| returns the data processing affecting spectra retrieved through this interface
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virtual size_t | find (const std::string &id) const |
| find id in the spectrum index (returns size() on failure)
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virtual IndexList | findNameValue (const std::string &name, const std::string &value) const |
| find all spectrum indexes with specified name/value pair
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virtual IndexList | findSpotID (const std::string &spotID) const |
| find all spectrum indexes with spotID (returns empty vector on failure)
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virtual SpectrumPtr | spectrum (const SpectrumPtr &seed, bool getBinaryData) const |
| get a copy of the seed spectrum, optionally with its binary data populated this is useful for formats like mzML that can delay loading of binary data
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virtual | ~SpectrumList () |
Detailed Description
SpectrumList implementation to add (or replace) a spectrum title to each spectrum according to a user-specified format.
Definition at line 37 of file SpectrumList_TitleMaker.hpp.
Constructor & Destructor Documentation
pwiz::analysis::SpectrumList_TitleMaker::SpectrumList_TitleMaker |
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const msdata::MSData & |
msd, |
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const std::string & |
format |
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The format string recognizes some keywords to replace with the appropriate field: <RunId> - Run::id <Index> - SpectrumIdentity::index <Id> - SpectrumIdentity::id (nativeID) <ScanNumber> - if the nativeID can be represented as a single number, that number, else index <ActivationType> - for the first precursor, Activation::cvParamChild("dissociation method") <IsolationMz> - for the first precursor, IsolationWindow::cvParam("isolation target m/z") <SelectedIonMz> - for the first selected ion of the first precursor, SelectedIon::cvParam("selected ion m/z") <ChargeState> - for the first selected ion of the first precursor, SelectedIon::cvParam("charge state") <SpectrumType> - Spectrum::cvParamChild("spectrum type") <ScanStartTimeInSeconds> - for the first scan, Scan::cvParam("scan start time") converted to seconds <ScanStartTimeInMinutes> - for the first scan, Scan::cvParam("scan start time") converted to minutes <BasePeakMz> - Spectrum::cvParam("base peak m/z") <BasePeakIntensity> - Spectrum::cvParam("base peak intensity") <TotalIonCurrent> - Spectrum::cvParam("total ion current")
Member Function Documentation
virtual msdata::SpectrumPtr pwiz::analysis::SpectrumList_TitleMaker::spectrum |
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size_t |
index, |
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bool |
getBinaryData = false |
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virtual |
retrieve a spectrum by index
- binary data arrays will be provided if (getBinaryData == true);
- client may assume the underlying Spectrum* is valid
Implements pwiz::msdata::SpectrumListWrapper.
Member Data Documentation
const std::string pwiz::analysis::SpectrumList_TitleMaker::format_ |
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private |
cv::CVID pwiz::analysis::SpectrumList_TitleMaker::nativeIdFormat_ |
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private |
The documentation for this class was generated from the following file: