OpenMS
DataProcessing.h
Go to the documentation of this file.
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: Timo Sachsenberg $
6 // $Authors: Marc Sturm $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
15 
16 #include <set>
17 #include <boost/shared_ptr.hpp>
18 
19 namespace OpenMS
20 {
26  class OPENMS_DLLAPI DataProcessing :
27  public MetaInfoInterface
28  {
29 
30 public:
31 
32  //The different processing types
34  {
57  SIZE_OF_PROCESSINGACTION
58  };
60  static const std::string NamesOfProcessingAction[SIZE_OF_PROCESSINGACTION];
61 
64 
66  DataProcessing() = default;
68  DataProcessing(const DataProcessing&) = default;
69 
70  // note: we implement the move constructor ourselves due to a bug in MSVS
71  // 2015/2017 which cannot produce a default move constructor for classes
72  // that contain STL containers (other than vector).
73 
78 
80  DataProcessing& operator=(const DataProcessing&) = default;
82  DataProcessing& operator=(DataProcessing&&)& = default;
83 
85  bool operator==(const DataProcessing& rhs) const;
87  bool operator!=(const DataProcessing& rhs) const;
88 
90  const Software& getSoftware() const;
92  Software& getSoftware();
94  void setSoftware(const Software& software);
95 
97  const std::set<ProcessingAction>& getProcessingActions() const;
99  std::set<ProcessingAction>& getProcessingActions();
101  void setProcessingActions(const std::set<ProcessingAction>& actions);
102 
104  const DateTime& getCompletionTime() const;
106  void setCompletionTime(const DateTime& completion_time);
107 
108 protected:
109 
110  Software software_;
111  std::set<ProcessingAction> processing_actions_;
112  DateTime completion_time_;
113  };
114 
115  typedef boost::shared_ptr<DataProcessing> DataProcessingPtr;
116  typedef boost::shared_ptr<const DataProcessing> ConstDataProcessingPtr;
117 
118 } // namespace OpenMS
Description of the applied preprocessing steps.
Definition: DataProcessing.h:28
DataProcessing(const DataProcessing &)=default
Copy constructor.
DataProcessing(DataProcessing &&) noexcept
Move constructor.
DataProcessing()=default
Constructor.
ProcessingAction
Definition: DataProcessing.h:34
@ CALIBRATION
Calibration of m/z positions.
Definition: DataProcessing.h:44
@ NORMALIZATION
Normalization of intensity values.
Definition: DataProcessing.h:45
@ IDENTIFICATION_MAPPING
Identification mapping
Definition: DataProcessing.h:49
@ DEISOTOPING
Deisotoping.
Definition: DataProcessing.h:37
@ PEAK_PICKING
Peak picking (conversion from raw to peak data)
Definition: DataProcessing.h:42
@ PRECURSOR_RECALCULATION
Recalculation of precursor m/z.
Definition: DataProcessing.h:40
@ FEATURE_GROUPING
Feature grouping
Definition: DataProcessing.h:48
@ ION_MOBILITY_BINNING
Ion mobility binning (merging of spectra with similar IM values)
Definition: DataProcessing.h:56
@ ALIGNMENT
Retention time alignment of different maps.
Definition: DataProcessing.h:43
@ FILTERING
Data filtering or extraction.
Definition: DataProcessing.h:46
@ CONVERSION_DTA
Conversion to DTA format.
Definition: DataProcessing.h:54
@ FORMAT_CONVERSION
General file format conversion (if no other term applies)
Definition: DataProcessing.h:50
@ CONVERSION_MZML
Conversion to mzML format.
Definition: DataProcessing.h:52
@ CONVERSION_MZXML
Conversion to mzXML format.
Definition: DataProcessing.h:53
@ CONVERSION_MZDATA
Conversion to mzData format.
Definition: DataProcessing.h:51
@ IDENTIFICATION
Identification.
Definition: DataProcessing.h:55
@ QUANTITATION
Quantitation.
Definition: DataProcessing.h:47
@ SMOOTHING
Smoothing of the signal to reduce noise.
Definition: DataProcessing.h:38
@ CHARGE_DECONVOLUTION
Charge deconvolution.
Definition: DataProcessing.h:36
@ DATA_PROCESSING
General data processing (if no other term applies)
Definition: DataProcessing.h:35
@ BASELINE_REDUCTION
Baseline reduction.
Definition: DataProcessing.h:41
@ CHARGE_CALCULATION
Determination of the peak charge.
Definition: DataProcessing.h:39
static StringList getAllNamesOfProcessingAction()
returns all processing action names known to OpenMS
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
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:44
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
boost::shared_ptr< DataProcessing > DataProcessingPtr
Definition: DataProcessing.h:115
boost::shared_ptr< const DataProcessing > ConstDataProcessingPtr
Definition: DataProcessing.h:116