File adapter for Kroenik (HardKloer sibling) files. More...
#include <OpenMS/FORMAT/KroenikFile.h>
Public Member Functions | |
KroenikFile () | |
Default constructor. More... | |
virtual | ~KroenikFile () |
Destructor. More... | |
template<typename FeatureMapType > | |
void | load (const String &filename, FeatureMapType &feature_map) |
Loads a Kroenik file into a featureXML. More... | |
template<typename SpectrumType > | |
void | store (const String &filename, const SpectrumType &spectrum) const |
Stores a featureXML as a Kroenik file. More... | |
File adapter for Kroenik (HardKloer sibling) files.
The first line is the header and contains the column names:
File, First Scan, Last Scan, Num of Scans, Charge, Monoisotopic Mass, Base Isotope Peak, Best Intensity, Summed Intensity, First RTime, Last RTime, Best RTime, Best Correlation, Modifications
Every subsequent line is a feature.
All properties in the file are converted to Feature properties, whereas "First Scan", "Last Scan", "Num of Scans" and "Modifications" are stored as metavalues with the following names "FirstScan", "LastScan", "NumOfScans" and "AveragineModifications".
The width in m/z of the overall convex hull of each feature is set to 3 Th in lack of a value provided by the Kroenik file.
KroenikFile | ( | ) |
Default constructor.
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virtual |
Destructor.
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inline |
Loads a Kroenik file into a featureXML.
The content of the file is stored in features
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Exception::FileNotFound | is thrown if the file could not be opened |
Exception::ParseError | is thrown if an error occurs during parsing |
References ConvexHull2D::addPoint(), BaseFeature::getCharge(), Peak2D::getMZ(), LOG_INFO, OpenMS::Constants::PROTON_MASS_U, BaseFeature::setCharge(), Feature::setConvexHulls(), Peak2D::setIntensity(), MetaInfoInterface::setMetaValue(), Peak2D::setMZ(), Feature::setOverallQuality(), Peak2D::setRT(), DPosition< D, TCoordinateType >::setX(), DPosition< D, TCoordinateType >::setY(), and String::split().
Referenced by FileHandler::loadFeatures().
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inline |
Stores a featureXML as a Kroenik file.
NOT IMPLEMENTED
Exception::UnableToCreateFile | is thrown if the file could not be created |
OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:30 using doxygen 1.8.5 |