OpenMS
MRMMapping.h
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1 // Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Hannes Roest $
6 // $Authors: Hannes Roest $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
12 
15 
16 namespace OpenMS
17 {
18 
23  class OPENMS_DLLAPI MRMMapping :
24  public DefaultParamHandler
25  {
26 public:
27 
33 
35  ~MRMMapping() override {}
37 
59  void mapExperiment(const OpenMS::PeakMap& input_chromatograms,
60  const OpenMS::TargetedExperiment& targeted_exp,
61  OpenMS::PeakMap& output) const;
62 
63 protected:
64 
66  MRMMapping(const MRMMapping & rhs);
67 
70 
72  void updateMembers_() override;
73 
75  double product_tol_;
78 
79  };
80 }
81 
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:66
A class to map targeted assays to chromatograms.
Definition: MRMMapping.h:25
void mapExperiment(const OpenMS::PeakMap &input_chromatograms, const OpenMS::TargetedExperiment &targeted_exp, OpenMS::PeakMap &output) const
Maps input chromatograms to assays in a targeted experiment.
MRMMapping & operator=(const MRMMapping &rhs)
assignment operator
MRMMapping()
default constructor
double precursor_tol_
Definition: MRMMapping.h:74
double product_tol_
Definition: MRMMapping.h:75
~MRMMapping() override
destructor
Definition: MRMMapping.h:35
bool map_multiple_assays_
Definition: MRMMapping.h:76
void updateMembers_() override
Synchronize members with param class.
bool error_on_unmapped_
Definition: MRMMapping.h:77
MRMMapping(const MRMMapping &rhs)
copy constructor
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:46
A description of a targeted experiment containing precursor and production ions.
Definition: TargetedExperiment.h:39
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:22