OpenMS
RTAlignment.h
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31 // $Maintainer: Chris Bielow $
32 // $Authors: Juliane Schmachtenberg, Chris Bielow $
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34 
35 #pragma once
36 
37 #include <OpenMS/QC/QCBase.h>
38 
39 namespace OpenMS
40 {
41  class FeatureMap;
42  class PeptideIdentification;
43  class TransformationDescription;
44 
53  class OPENMS_DLLAPI RTAlignment : public QCBase
54  {
55  public:
57  RTAlignment() = default;
58 
60  virtual ~RTAlignment() = default;
61 
69  void compute(FeatureMap& fm, const TransformationDescription& trafo) const;
70 
78  void compute(std::vector<PeptideIdentification>& ids, const TransformationDescription& trafo) const;
79 
81  const String& getName() const override;
82 
84  Status requirements() const override;
85 
86  private:
88  const String name_ = "RTAlignment";
89  };
90 } // namespace OpenMS
A container for features.
Definition: FeatureMap.h:106
Stores and handles combinations of enum values, e.g. a set of flags as bits flipped in an UInt64.
Definition: FlagSet.h:54
This class serves as an abstract base class for all QC classes.
Definition: QCBase.h:55
Take the original retention time before map alignment and use the alignment's trafoXML for calculatio...
Definition: RTAlignment.h:54
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 Pep...
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 Pep...
const String & getName() const override
returns the name of the metric
Status requirements() const override
define the required input file: featureXML before map alignment (=POSTFDRFEAT), trafoXML after map al...
RTAlignment()=default
Constructor.
virtual ~RTAlignment()=default
Destructor.
A more convenient string class.
Definition: String.h:60
Generic description of a coordinate transformation.
Definition: TransformationDescription.h:63
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48