OpenMS
2.6.0
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Take the original retention time before map alignment and use the alignment's trafoXML for calculation of the new alignment retention times. More...
#include <OpenMS/QC/RTAlignment.h>
Public Member Functions | |
RTAlignment ()=default | |
Constructor. More... | |
virtual | ~RTAlignment ()=default |
Destructor. More... | |
void | compute (FeatureMap &fm, const TransformationDescription &trafo) const |
Calculates retention time after map alignment and sets meta values "rt_raw" and "rt_align" in all PepIDs (on features and all unassigned PepIDs) More... | |
void | compute (std::vector< PeptideIdentification > &ids, const TransformationDescription &trafo) const |
Calculates retention time after map alignment and sets meta values "rt_raw" and "rt_align" in all PepIDs. More... | |
const String & | getName () const override |
returns the name of the metric More... | |
Status | requires () const override |
define the required input file: featureXML before map alignment (=POSTFDRFEAT), trafoXML after map alignment (=TRAFOALIGN) More... | |
Public Member Functions inherited from QCBase | |
bool | isRunnable (const Status &s) const |
Private Attributes | |
const String | name_ = "RTAlignment" |
name of the metric More... | |
Additional Inherited Members | |
Public Types inherited from QCBase | |
enum | Requires : UInt64 { NOTHING, RAWMZML, POSTFDRFEAT, PREFDRFEAT, CONTAMINANTS, TRAFOALIGN, SIZE_OF_REQUIRES } |
Enum to encode a file type as a bit. More... | |
Static Public Member Functions inherited from QCBase | |
static bool | isLabeledExperiment (const ConsensusMap &cm) |
check if the IsobaricAnalyzer TOPP tool was used to create this ConsensusMap More... | |
template<typename MAP > | |
static bool | hasPepID (const MAP &fmap) |
does the container have a PeptideIdentification in its members or as unassignedPepID ? More... | |
Static Public Attributes inherited from QCBase | |
static const std::string | names_of_requires [] |
strings corresponding to enum Requires More... | |
Take the original retention time before map alignment and use the alignment's trafoXML for calculation of the new alignment retention times.
Sets meta values "rt_raw" and "rt_align" in PeptideIdentifications of the featureMap's PepIDs. It does not change the RT of the features.
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default |
Constructor.
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virtualdefault |
Destructor.
void compute | ( | FeatureMap & | fm, |
const TransformationDescription & | trafo | ||
) | const |
Calculates retention time after map alignment and sets meta values "rt_raw" and "rt_align" in all PepIDs (on features and all unassigned PepIDs)
fm | FeatureMap to receive the new metavalues |
trafo | Transformation information to get needed data from |
void compute | ( | std::vector< PeptideIdentification > & | ids, |
const TransformationDescription & | trafo | ||
) | const |
Calculates retention time after map alignment and sets meta values "rt_raw" and "rt_align" in all PepIDs.
ids | PepIDs to receive the new metavalues |
trafo | Transformation information to get needed data from |
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overridevirtual |
define the required input file: featureXML before map alignment (=POSTFDRFEAT), trafoXML after map alignment (=TRAFOALIGN)
Implements QCBase.
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private |
name of the metric