ProteoWizard
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SpectrumList wrapper that recalculates precursor info on spectrum() requests. More...
#include <SpectrumList_PrecursorRefine.hpp>
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struct | PrecursorInfo |
Public Member Functions | |
SpectrumList_PrecursorRefine (const msdata::MSData &msd) | |
constructor needs the full MSData object for instrument info; SpectrumList_PrecursorRefine holds a reference to the original SpectrumListPtr More... | |
~SpectrumList_PrecursorRefine () | |
SpectrumList interface | |
virtual msdata::SpectrumPtr | spectrum (size_t index, bool getBinaryData=false) const |
retrieve a spectrum by index More... | |
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SpectrumListWrapper (const SpectrumListPtr &inner) | |
virtual size_t | size () const |
returns the number of spectra More... | |
virtual bool | empty () const |
returns true iff (size() == 0) and (dataProcessingPtr.get() == NULL) More... | |
virtual const SpectrumIdentity & | spectrumIdentity (size_t index) const |
access to a spectrum index More... | |
virtual SpectrumPtr | spectrum (size_t index, DetailLevel detailLevel) const |
retrieve a spectrum by index More... | |
virtual const boost::shared_ptr< const DataProcessing > | dataProcessingPtr () const |
returns the data processing affecting spectra retrieved through this interface More... | |
SpectrumListPtr | inner () const |
SpectrumListPtr | innermost () const |
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virtual size_t | find (const std::string &id) const |
find id in the spectrum index (returns size() on failure) More... | |
virtual size_t | findAbbreviated (const std::string &abbreviatedId, char delimiter='.') const |
find an abbreviated id (e.g. "1.1.123.2" for "sample=1 period=1 cycle=123 experiment=2") in the spectrum index (returns size() on failure) More... | |
virtual IndexList | findNameValue (const std::string &name, const std::string &value) const |
find all spectrum indexes with specified name/value pair More... | |
virtual IndexList | findSpotID (const std::string &spotID) const |
find all spectrum indexes with spotID (returns empty vector on failure) More... | |
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 More... | |
virtual void | warn_once (const char *msg) const |
issues a warning once per SpectrumList instance (based on string hash) More... | |
virtual | ~SpectrumList () |
Private Member Functions | |
double | RefineMassVal (double initialEstimate, size_t index) const |
SpectrumList_PrecursorRefine (SpectrumList_PrecursorRefine &) | |
SpectrumList_PrecursorRefine & | operator= (SpectrumList_PrecursorRefine &) |
Private Attributes | |
boost::shared_ptr< Impl > | impl_ |
int | numRefined |
int | numTotal |
Additional Inherited Members | |
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SpectrumListPtr | inner_ |
DataProcessingPtr | dp_ |
SpectrumList wrapper that recalculates precursor info on spectrum() requests.
Definition at line 37 of file SpectrumList_PrecursorRefine.hpp.
pwiz::analysis::SpectrumList_PrecursorRefine::SpectrumList_PrecursorRefine | ( | const msdata::MSData & | msd | ) |
constructor needs the full MSData object for instrument info; SpectrumList_PrecursorRefine holds a reference to the original SpectrumListPtr
pwiz::analysis::SpectrumList_PrecursorRefine::~SpectrumList_PrecursorRefine | ( | ) |
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retrieve a spectrum by index
Implements pwiz::msdata::SpectrumListWrapper.
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Definition at line 63 of file SpectrumList_PrecursorRefine.hpp.
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mutableprivate |
Definition at line 68 of file SpectrumList_PrecursorRefine.hpp.
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mutableprivate |
Definition at line 69 of file SpectrumList_PrecursorRefine.hpp.