OpenMS
FeatureFinderAlgorithm.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: $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
16 
17 
18 namespace OpenMS
19 {
20 
21  // forward declaration
22  class FeatureMap;
23 
25  struct OPENMS_DLLAPI Summary
26  {
27  std::map<String, UInt> exception;
29  std::map<String, UInt> mz_model;
30  std::map<float, UInt> mz_stdev;
31  std::vector<UInt> charge;
32  double corr_mean, corr_max, corr_min; //boxplot for correlation
33 
35  Summary() :
36  no_exceptions(0),
37  corr_mean(0),
38  corr_max(0),
39  corr_min(1)
40  {}
41 
42  };
43 
49  public DefaultParamHandler,
50  public ProgressLogger
51  {
52 public:
54  typedef PeakMap MapType;
59 
62  DefaultParamHandler("FeatureFinderAlgorithm"),
63  map_(nullptr),
64  features_(nullptr)
65  {
66  }
67 
70  {
71  }
72 
74 
75 
77  virtual void run() = 0;
78 
84  virtual Param getDefaultParameters() const
85  {
86  return this->defaults_;
87  }
88 
90  void setData(const MapType& map, FeatureMap& features)
91  {
92  map_ = &map;
93  features_ = &features;
94  }
95 
101  virtual void setSeeds(const FeatureMap& seeds)
102  {
103  if (!seeds.empty())
104  {
105  throw Exception::IllegalArgument(__FILE__, __LINE__, OPENMS_PRETTY_FUNCTION, "The used feature detection algorithm does not support user-specified seed lists!");
106  }
107  }
108 
109 protected:
110 
112  const MapType* map_;
113 
116 
117 private:
118 
121 
124 
125  };
126 }
127 
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:66
Param defaults_
Container for default parameters. This member should be filled in the constructor of derived classes!
Definition: DefaultParamHandler.h:146
A method or algorithm argument contains illegal values.
Definition: Exception.h:629
bool empty() const noexcept
Definition: ExposedVector.h:133
Abstract base class for FeatureFinder algorithms.
Definition: FeatureFinderAlgorithm.h:51
virtual void run()=0
register all derived classes here (see FeatureFinderAlgorithm_impl.h)
virtual void setSeeds(const FeatureMap &seeds)
Sets a reference to the calling FeatureFinder.
Definition: FeatureFinderAlgorithm.h:101
void setData(const MapType &map, FeatureMap &features)
Sets a reference to the calling FeatureFinder.
Definition: FeatureFinderAlgorithm.h:90
const MapType * map_
Input data pointer.
Definition: FeatureFinderAlgorithm.h:112
~FeatureFinderAlgorithm() override
destructor
Definition: FeatureFinderAlgorithm.h:69
FeatureFinderAlgorithm(const FeatureFinderAlgorithm &)
Not implemented.
PeakMap MapType
Input map type.
Definition: FeatureFinderAlgorithm.h:54
FeatureFinderAlgorithm()
default constructor
Definition: FeatureFinderAlgorithm.h:61
FeatureFinderAlgorithm & operator=(const FeatureFinderAlgorithm &)
Not implemented.
virtual Param getDefaultParameters() const
Returns the default parameters. Reimplement.
Definition: FeatureFinderAlgorithm.h:84
FeatureMap * features_
Output data pointer.
Definition: FeatureFinderAlgorithm.h:115
MapType::IntensityType IntensityType
Intensity type of peaks.
Definition: FeatureFinderAlgorithm.h:58
MapType::CoordinateType CoordinateType
Coordinate/Position type of peaks.
Definition: FeatureFinderAlgorithm.h:56
A container for features.
Definition: FeatureMap.h:80
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:46
PeakType::CoordinateType CoordinateType
Coordinate type of peak positions.
Definition: MSExperiment.h:59
PeakType::IntensityType IntensityType
Intensity type of peaks.
Definition: MSExperiment.h:61
Management and storage of parameters / INI files.
Definition: Param.h:44
Base class for all classes that want to report their progress.
Definition: ProgressLogger.h:27
unsigned int UInt
Unsigned integer type.
Definition: Types.h:64
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
Summary of fitting results.
Definition: FeatureFinderAlgorithm.h:26
std::map< String, UInt > exception
count exceptions
Definition: FeatureFinderAlgorithm.h:27
std::map< float, UInt > mz_stdev
count used mz standard deviations
Definition: FeatureFinderAlgorithm.h:30
double corr_max
Definition: FeatureFinderAlgorithm.h:32
std::vector< UInt > charge
count used charges
Definition: FeatureFinderAlgorithm.h:31
std::map< String, UInt > mz_model
count used mz models
Definition: FeatureFinderAlgorithm.h:29
UInt no_exceptions
Definition: FeatureFinderAlgorithm.h:28
Summary()
Initial values.
Definition: FeatureFinderAlgorithm.h:35