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OpenMS
2.5.0
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77 template <
typename SpectrumType>
84 for (ConstIterator it = spectrum.begin(); it != spectrum.end(); ++it)
86 TIC += it->getIntensity();
void setSkipXMLChecks(bool only)
sets whether to skip some XML checks and be fast instead
MSChromatogram ChromatogramType
Definition: MzDataHandler.h:61
double apply(SpectrumType &spectrum)
Definition: TICFilter.h:78
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS::Interfaces::SpectrumPtr getSpectrumById(Size id)
returns a single spectrum
Definition: OnDiscMSExperiment.h:199
A class to load an indexedmzML file.
Definition: IndexedMzMLFileLoader.h:53
Representation of a mass spectrometry experiment on disk.
Definition: OnDiscMSExperiment.h:68
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: openms/include/OpenMS/INTERFACES/DataStructures.h:236
static FilterFunctor * create()
Definition: TICFilter.h:74
Size size() const
Definition: MSExperiment.h:127
bool load(const String &filename, OnDiscPeakMap &exp)
Load a file.
Definition: IndexedMzMLFileLoader.h:82
#define OPENMS_LOG_ERROR
Macro to be used if non-fatal error are reported (processing continues)
Definition: LogStream.h:455
ContainerType::const_iterator ConstIterator
Non-mutable iterator.
Definition: MSSpectrum.h:104
void setAlwaysAppendData(bool only)
static void readSpectrumFast(OpenSwath::BinaryDataArrayPtr &data1, OpenSwath::BinaryDataArrayPtr &data2, std::ifstream &ifs, int &ms_level, double &rt)
fast access to a spectrum (a direct copy of the data into the provided arrays)
Definition: CachedMzMLHandler.h:140
Base class for TOPP applications.
Definition: TOPPBase.h:144
Options for loading files containing peak data.
Definition: PeakFileOptions.h:47
The interface of a consumer of spectra and chromatograms.
Definition: IMSDataConsumer.h:69
void setLogType(LogType type) const
Sets the progress log that should be used. The default type is NONE!
bool openFile(const String &filename, bool skipMetaData=false)
Open a specific file on disk.
Definition: OnDiscMSExperiment.h:92
boost::shared_ptr< BinaryDataArray > BinaryDataArrayPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:79
static const String getProductName()
Definition: TICFilter.h:92
The representation of a chromatogram.
Definition: MSChromatogram.h:54
static bool getProcessMemoryConsumption(size_t &mem_virtual)
A FilterFunctor extracts some spectrum characteristics for quality assessment.
Definition: FilterFunctor.h:44
TICFilter calculates TIC.
Definition: TICFilter.h:48
const std::vector< std::streampos > & getSpectraIndex() const
Access to a constant copy of the binary spectra index.
void createMemdumpIndex(String filename)
Create an index on the location of all the spectra and chromatograms.
MSSpectrum SpectrumType
Definition: MzDataHandler.h:60
Description of the experimental settings.
Definition: ExperimentalSettings.h:59
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
void setFillData(bool only)
sets whether to fill the actual data into the container (spectrum/chromatogram)
void setMaxDataPoolSize(Size size)
Set maximal size of the data pool.
void transform(const String &filename_in, Interfaces::IMSDataConsumer *consumer, bool skip_full_count=false, bool skip_first_pass=false)
Transforms a map while loading using the supplied MSDataConsumer.
void setOptions(const PeakFileOptions &)
set options for loading/storing
void setOptions(const PeakFileOptions &)
set options for loading/storing
void load(const String &filename, PeakMap &map)
Loads a map from a MzML file. Spectra and chromatograms are sorted by default (this can be disabled u...
PeakMap MapType
Definition: PeakPickerIterative.cpp:84
File adapter for MzML files.
Definition: MzMLFile.h:55
void setSkipXMLChecks(bool skip)
sets whether to skip some XML checks and be fast instead
Definition: OnDiscMSExperiment.h:225
A more convenient string class.
Definition: String.h:58
ptrdiff_t SignedSize
Signed Size type e.g. used as pointer difference.
Definition: Types.h:134
The datastructures used by the OpenSwath interfaces.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:67
An class that uses on-disk caching to read and write spectra and chromatograms.
Definition: CachedMzMLHandler.h:66
PeakFileOptions & getOptions()
Mutable access to the options for loading/storing.
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
Definition: MRMScoring.h:49
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
Size getNrSpectra() const
get the total number of spectra available
Definition: OnDiscMSExperiment.h:156
int main(int argc, const char **argv)
Definition: INIFileEditor.cpp:73
bool split(const char splitter, std::vector< String > &substrings, bool quote_protect=false) const
Splits a string into substrings using splitter as delimiter.
PeakFileOptions & getOptions()
Mutable access to the options for loading/storing.