OpenMS  2.4.0
DataProcessing.h
Go to the documentation of this file.
1 // --------------------------------------------------------------------------
2 // OpenMS -- Open-Source Mass Spectrometry
3 // --------------------------------------------------------------------------
4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2018.
6 //
7 // This software is released under a three-clause BSD license:
8 // * Redistributions of source code must retain the above copyright
9 // notice, this list of conditions and the following disclaimer.
10 // * Redistributions in binary form must reproduce the above copyright
11 // notice, this list of conditions and the following disclaimer in the
12 // documentation and/or other materials provided with the distribution.
13 // * Neither the name of any author or any participating institution
14 // may be used to endorse or promote products derived from this software
15 // without specific prior written permission.
16 // For a full list of authors, refer to the file AUTHORS.
17 // --------------------------------------------------------------------------
18 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
19 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
20 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
21 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
22 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
23 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
24 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
25 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
26 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
27 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
28 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
29 //
30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Marc Sturm $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
40 
41 #include <set>
42 #include <boost/shared_ptr.hpp>
43 
44 namespace OpenMS
45 {
51  class OPENMS_DLLAPI DataProcessing :
52  public MetaInfoInterface
53  {
54 
55 public:
56 
57  //The different processing types
59  {
80  SIZE_OF_PROCESSINGACTION
81  };
83  static const std::string NamesOfProcessingAction[SIZE_OF_PROCESSINGACTION];
84 
88  DataProcessing(const DataProcessing & source);
90  ~DataProcessing();
91 
93  DataProcessing & operator=(const DataProcessing & source);
94 
96  bool operator==(const DataProcessing & rhs) const;
98  bool operator!=(const DataProcessing & rhs) const;
99 
101  const Software & getSoftware() const;
103  Software & getSoftware();
105  void setSoftware(const Software & software);
106 
108  const std::set<ProcessingAction> & getProcessingActions() const;
110  std::set<ProcessingAction> & getProcessingActions();
112  void setProcessingActions(const std::set<ProcessingAction> & actions);
113 
115  const DateTime & getCompletionTime() const;
117  void setCompletionTime(const DateTime & completion_time);
118 
119 protected:
120 
122  std::set<ProcessingAction> processing_actions_;
124  };
125 
126  typedef boost::shared_ptr<DataProcessing> DataProcessingPtr;
127  typedef boost::shared_ptr<const DataProcessing> ConstDataProcessingPtr;
128 
129 } // namespace OpenMS
130 
Deisotoping.
Definition: DataProcessing.h:62
Description of the applied preprocessing steps.
Definition: DataProcessing.h:51
Determination of the peak charge.
Definition: DataProcessing.h:64
Recalculation of precursor m/z.
Definition: DataProcessing.h:65
Data filtering or extraction.
Definition: DataProcessing.h:71
General data processing (if no other term applies)
Definition: DataProcessing.h:60
Conversion to DTA format.
Definition: DataProcessing.h:79
Conversion to mzXML format.
Definition: DataProcessing.h:78
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
std::set< ProcessingAction > processing_actions_
Definition: DataProcessing.h:122
Baseline reduction.
Definition: DataProcessing.h:66
DateTime completion_time_
Definition: DataProcessing.h:123
Description of the software used for processing.
Definition: Software.h:48
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
Identification mapping
Definition: DataProcessing.h:74
Software software_
Definition: DataProcessing.h:121
ProcessingAction
Definition: DataProcessing.h:58
boost::shared_ptr< DataProcessing > DataProcessingPtr
Definition: DataProcessing.h:126
Calibration of m/z positions.
Definition: DataProcessing.h:69
Conversion to mzML format.
Definition: DataProcessing.h:77
Normalization of intensity values.
Definition: DataProcessing.h:70
Interface for classes that can store arbitrary meta information (Type-Name-Value tuples).
Definition: MetaInfoInterface.h:55
Retention time alignment of different maps.
Definition: DataProcessing.h:68
Feature grouping
Definition: DataProcessing.h:73
boost::shared_ptr< const DataProcessing > ConstDataProcessingPtr
Definition: DataProcessing.h:127
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
Smoothing of the signal to reduce noise.
Definition: DataProcessing.h:63
General file format conversion (if no other term applies)
Definition: DataProcessing.h:75
DateTime Class.
Definition: DateTime.h:54
Peak picking (conversion from raw to peak data)
Definition: DataProcessing.h:67
Quantitation.
Definition: DataProcessing.h:72
Conversion to mzData format.
Definition: DataProcessing.h:76
Charge deconvolution.
Definition: DataProcessing.h:61