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RTAlignment.h
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1// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
2// SPDX-License-Identifier: BSD-3-Clause
3//
4// --------------------------------------------------------------------------
5// $Maintainer: Chris Bielow $
6// $Authors: Juliane Schmachtenberg, Chris Bielow $
7// --------------------------------------------------------------------------
8
9#pragma once
10
11#include <OpenMS/QC/QCBase.h>
13
14namespace OpenMS
15{
16 class FeatureMap;
17 class PeptideIdentification;
18 class TransformationDescription;
19
28 class OPENMS_DLLAPI RTAlignment : public QCBase
29 {
30 public:
32 RTAlignment() = default;
33
35 virtual ~RTAlignment() = default;
36
44 void compute(FeatureMap& fm, const TransformationDescription& trafo) const;
45
54
56 const String& getName() const override;
57
59 Status requirements() const override;
60
61 private:
63 const String name_ = "RTAlignment";
64 };
65} // namespace OpenMS
A container for features.
Definition FeatureMap.h:82
Stores and handles combinations of enum values, e.g. a set of flags as bits flipped in an UInt64.
Definition FlagSet.h:28
Container for peptide identifications from multiple spectra.
Definition PeptideIdentificationList.h:66
This class serves as an abstract base class for all QC classes.
Definition QCBase.h:29
Take the original retention time before map alignment and use the alignment's trafoXML for calculatio...
Definition RTAlignment.h:29
const String & getName() const override
returns the name of the metric
void compute(PeptideIdentificationList &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...
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:34
Generic description of a coordinate transformation.
Definition TransformationDescription.h:37
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19