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DataProcessing.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: Timo Sachsenberg $
6// $Authors: Marc Sturm $
7// --------------------------------------------------------------------------
8
9#pragma once
10
15
16#include <set>
17#include <memory>
18
19namespace OpenMS
20{
26 class OPENMS_DLLAPI DataProcessing :
28 {
29
30public:
31
32 //The different processing types
60 static const std::string NamesOfProcessingAction[SIZE_OF_PROCESSINGACTION];
61
64
67 static const std::string& processingActionToString(ProcessingAction action);
68
71 static ProcessingAction toProcessingAction(const std::string& name);
72
74 DataProcessing() = default;
76 DataProcessing(const DataProcessing&) = default;
77
78 // note: we implement the move constructor ourselves due to a bug in MSVS
79 // 2015/2017 which cannot produce a default move constructor for classes
80 // that contain STL containers (other than vector).
81
86
88 DataProcessing& operator=(const DataProcessing&) = default;
90 DataProcessing& operator=(DataProcessing&&)& = default;
91
93 bool operator==(const DataProcessing& rhs) const;
95 bool operator!=(const DataProcessing& rhs) const;
96
98 const Software& getSoftware() const;
100 Software& getSoftware();
102 void setSoftware(const Software& software);
103
105 const std::set<ProcessingAction>& getProcessingActions() const;
107 std::set<ProcessingAction>& getProcessingActions();
109 void setProcessingActions(const std::set<ProcessingAction>& actions);
110
112 const DateTime& getCompletionTime() const;
114 void setCompletionTime(const DateTime& completion_time);
115
116protected:
117
118 Software software_;
119 std::set<ProcessingAction> processing_actions_;
120 DateTime completion_time_;
121 };
122
124 typedef std::shared_ptr<const DataProcessing> ConstDataProcessingPtr;
125
126} // namespace OpenMS
Description of the applied preprocessing steps.
Definition DataProcessing.h:28
static ProcessingAction toProcessingAction(const std::string &name)
DataProcessing(const DataProcessing &)=default
Copy constructor.
DataProcessing(DataProcessing &&) noexcept
Move constructor.
DataProcessing()=default
Constructor.
static const std::string & processingActionToString(ProcessingAction action)
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:35
Interface for classes that can store arbitrary meta information (Type-Name-Value tuples).
Definition MetaInfoInterface.h:36
Description of the software used for processing.
Definition Software.h:26
std::vector< String > StringList
Vector of String.
Definition ListUtils.h:44
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
std::shared_ptr< const DataProcessing > ConstDataProcessingPtr
Definition DataProcessing.h:124
std::shared_ptr< DataProcessing > DataProcessingPtr
Definition DataProcessing.h:123
STL namespace.