OpenMS
DataProcessing.h
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1 // Copyright (c) 2002-present, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Timo Sachsenberg $
6 // $Authors: Marc Sturm $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
14 
15 #include <set>
16 #include <boost/shared_ptr.hpp>
17 
18 namespace OpenMS
19 {
25  class OPENMS_DLLAPI DataProcessing :
26  public MetaInfoInterface
27  {
28 
29 public:
30 
31  //The different processing types
33  {
56  SIZE_OF_PROCESSINGACTION
57  };
59  static const std::string NamesOfProcessingAction[SIZE_OF_PROCESSINGACTION];
60 
62  DataProcessing() = default;
64  DataProcessing(const DataProcessing&) = default;
65 
66  // note: we implement the move constructor ourselves due to a bug in MSVS
67  // 2015/2017 which cannot produce a default move constructor for classes
68  // that contain STL containers (other than vector).
69 
74 
76  DataProcessing& operator=(const DataProcessing&) = default;
78  DataProcessing& operator=(DataProcessing&&)& = default;
79 
81  bool operator==(const DataProcessing& rhs) const;
83  bool operator!=(const DataProcessing& rhs) const;
84 
86  const Software& getSoftware() const;
88  Software& getSoftware();
90  void setSoftware(const Software& software);
91 
93  const std::set<ProcessingAction>& getProcessingActions() const;
95  std::set<ProcessingAction>& getProcessingActions();
97  void setProcessingActions(const std::set<ProcessingAction>& actions);
98 
100  const DateTime& getCompletionTime() const;
102  void setCompletionTime(const DateTime& completion_time);
103 
104 protected:
105 
106  Software software_;
107  std::set<ProcessingAction> processing_actions_;
108  DateTime completion_time_;
109  };
110 
111  typedef boost::shared_ptr<DataProcessing> DataProcessingPtr;
112  typedef boost::shared_ptr<const DataProcessing> ConstDataProcessingPtr;
113 
114 } // namespace OpenMS
Description of the applied preprocessing steps.
Definition: DataProcessing.h:27
DataProcessing(const DataProcessing &)=default
Copy constructor.
DataProcessing(DataProcessing &&) noexcept
Move constructor.
DataProcessing()=default
Constructor.
ProcessingAction
Definition: DataProcessing.h:33
@ CALIBRATION
Calibration of m/z positions.
Definition: DataProcessing.h:43
@ NORMALIZATION
Normalization of intensity values.
Definition: DataProcessing.h:44
@ IDENTIFICATION_MAPPING
Identification mapping
Definition: DataProcessing.h:48
@ DEISOTOPING
Deisotoping.
Definition: DataProcessing.h:36
@ PEAK_PICKING
Peak picking (conversion from raw to peak data)
Definition: DataProcessing.h:41
@ PRECURSOR_RECALCULATION
Recalculation of precursor m/z.
Definition: DataProcessing.h:39
@ FEATURE_GROUPING
Feature grouping
Definition: DataProcessing.h:47
@ ION_MOBILITY_BINNING
Ion mobility binning (merging of spectra with similar IM values)
Definition: DataProcessing.h:55
@ ALIGNMENT
Retention time alignment of different maps.
Definition: DataProcessing.h:42
@ FILTERING
Data filtering or extraction.
Definition: DataProcessing.h:45
@ CONVERSION_DTA
Conversion to DTA format.
Definition: DataProcessing.h:53
@ FORMAT_CONVERSION
General file format conversion (if no other term applies)
Definition: DataProcessing.h:49
@ CONVERSION_MZML
Conversion to mzML format.
Definition: DataProcessing.h:51
@ CONVERSION_MZXML
Conversion to mzXML format.
Definition: DataProcessing.h:52
@ CONVERSION_MZDATA
Conversion to mzData format.
Definition: DataProcessing.h:50
@ IDENTIFICATION
Identification.
Definition: DataProcessing.h:54
@ QUANTITATION
Quantitation.
Definition: DataProcessing.h:46
@ SMOOTHING
Smoothing of the signal to reduce noise.
Definition: DataProcessing.h:37
@ CHARGE_DECONVOLUTION
Charge deconvolution.
Definition: DataProcessing.h:35
@ DATA_PROCESSING
General data processing (if no other term applies)
Definition: DataProcessing.h:34
@ BASELINE_REDUCTION
Baseline reduction.
Definition: DataProcessing.h:40
@ CHARGE_CALCULATION
Determination of the peak charge.
Definition: DataProcessing.h:38
DateTime Class.
Definition: DateTime.h:33
Interface for classes that can store arbitrary meta information (Type-Name-Value tuples).
Definition: MetaInfoInterface.h:35
Description of the software used for processing.
Definition: Software.h:24
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
boost::shared_ptr< DataProcessing > DataProcessingPtr
Definition: DataProcessing.h:111
boost::shared_ptr< const DataProcessing > ConstDataProcessingPtr
Definition: DataProcessing.h:112