OpenMS
LayerDataPeak.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 2002-2023.
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: Chris Bielow $
32 // $Authors: Chris Bielow $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
39 
42 
43 #include <vector>
44 
45 namespace OpenMS
46 {
47  class Annotation1DItem;
48 
54  class OPENMS_GUI_DLLAPI LayerDataPeak : public virtual LayerDataBase
55  {
56  public:
57 
60 
64  LayerDataPeak(const LayerDataPeak& ld) = default;
66  LayerDataPeak& operator=(const LayerDataPeak& ld) = delete;
67 
68  std::unique_ptr<Painter2DBase> getPainter2D() const override;
69 
70  std::unique_ptr<LayerData1DBase> to1DLayer() const override;
71 
72  std::unique_ptr<LayerStoreData> storeVisibleData(const RangeAllType& visible_range, const DataFilters& layer_filters) const override;
73 
74  std::unique_ptr<LayerStoreData> storeFullData() const override;
75 
76  ProjectionData getProjection(const DIM_UNIT unit_x, const DIM_UNIT unit_y, const RangeAllType& area) const override;
77 
78  PeakIndex findHighestDataPoint(const RangeAllType& area) const override;
79 
80  void updateRanges() override
81  {
82  peak_map_->updateRanges();
83  // on_disc_peaks_->updateRanges(); // note: this is not going to work since its on disk! We currently don't have a good way to access these ranges
84  }
85 
86  RangeAllType getRange() const override
87  {
88  RangeAllType r;
89  r.assign(*peak_map_);
90  return r;
91  }
92 
93  PointXYType peakIndexToXY(const PeakIndex& peak, const DimMapper<2>& mapper) const override;
94 
95  String getDataArrayDescription(const PeakIndex& peak_index) override;
96 
97  std::unique_ptr<LayerStatistics> getStats() const override;
98 
99  bool annotate(const std::vector<PeptideIdentification>& identifications, const std::vector<ProteinIdentification>& protein_identifications) override;
100 
101  const ExperimentType::SpectrumType& getSpectrum(Size spectrum_idx) const
102  {
103  if ((*peak_map_)[spectrum_idx].size() > 0)
104  {
105  return (*peak_map_)[spectrum_idx];
106  }
107  if (!on_disc_peaks_->empty())
108  {
109  static MSSpectrum local_spec;
110  local_spec = on_disc_peaks_->getSpectrum(spectrum_idx);
111  return local_spec;
112  }
113  return (*peak_map_)[spectrum_idx];
114  }
115 
126 
137  {
138  return peak_map_;
139  }
140 
145  {
146  peak_map_ = p;
147  }
148 
151  {
152  on_disc_peaks_ = p;
153  }
154 
157  {
158  return on_disc_peaks_;
159  }
160 
161 
162 
164  bool isIonMobilityData() const
165  {
166  return this->getPeakData()->size() > 0 && this->getPeakData()->metaValueExists("is_ion_mobility") && this->getPeakData()->getMetaValue("is_ion_mobility").toBool();
167  }
168 
170  {
171  peak_map_->setMetaValue("is_ion_mobility", "true");
172  }
173 
175  bool isDIAData() const
176  {
177  return this->getPeakData()->size() > 0 && this->getPeakData()->metaValueExists("is_dia_data") && this->getPeakData()->getMetaValue("is_dia_data").toBool();
178  }
179 
182  {
183  peak_map_->setMetaValue("is_dia_data", "true");
184  }
185 
195  {
196  return this->getPeakData()->size() > 0 && this->getPeakData()->metaValueExists("is_chromatogram") && this->getPeakData()->getMetaValue("is_chromatogram").toBool();
197  }
198 
201  {
202  peak_map_->setMetaValue("is_chromatogram", "true");
203  }
204 
207  {
208  if (this->chromatogram_flag_set())
209  {
210  peak_map_->removeMetaValue("is_chromatogram");
211  }
212  }
213 
214 
215  protected:
218 
221  };
222 
223 }// namespace OpenMS
DataFilter array providing some convenience functions.
Definition: DataFilters.h:53
Class that stores the data for one layer.
Definition: LayerDataBase.h:195
Class that stores the data for one layer of type PeakMap.
Definition: LayerDataPeak.h:55
void remove_chromatogram_flag()
remove the chromatogram flag
Definition: LayerDataPeak.h:206
LayerDataPeak()
Default constructor.
std::unique_ptr< LayerStatistics > getStats() const override
Compute layer statistics (via visitor)
std::unique_ptr< LayerStoreData > storeFullData() const override
Returns a visitor which contains the the full data of the layer and can write the data to disk in the...
bool isDIAData() const
Check whether the current layer contains DIA (SWATH-MS) data.
Definition: LayerDataPeak.h:175
void set_chromatogram_flag()
set the chromatogram flag
Definition: LayerDataPeak.h:200
void setOnDiscPeakData(ODExperimentSharedPtrType p)
Set the current on-disc data.
Definition: LayerDataPeak.h:150
const ConstExperimentSharedPtrType getPeakData() const
Returns a const reference to the current in-memory peak data.
bool isIonMobilityData() const
Check whether the current layer should be represented as ion mobility.
Definition: LayerDataPeak.h:164
PeakIndex findHighestDataPoint(const RangeAllType &area) const override
Find the datapoint with the highest intensity within the given range and return a proxy to that datap...
bool annotate(const std::vector< PeptideIdentification > &identifications, const std::vector< ProteinIdentification > &protein_identifications) override
const ExperimentSharedPtrType & getPeakDataMuteable()
Returns a mutable reference to the current in-memory peak data.
Definition: LayerDataPeak.h:136
bool chromatogram_flag_set() const
Check whether the current layer is a chromatogram.
Definition: LayerDataPeak.h:194
std::unique_ptr< LayerData1DBase > to1DLayer() const override
Create a shallow copy (i.e. shared experimental data using shared_ptr) of the current layer,...
void setPeakData(ExperimentSharedPtrType p)
Set the current in-memory peak data.
Definition: LayerDataPeak.h:144
const ODExperimentSharedPtrType & getOnDiscPeakData() const
Returns a mutable reference to the on-disc data.
Definition: LayerDataPeak.h:156
void labelAsIonMobilityData() const
Definition: LayerDataPeak.h:169
PointXYType peakIndexToXY(const PeakIndex &peak, const DimMapper< 2 > &mapper) const override
Convert a PeakIndex to a XY coordinate (via mapper).
const ExperimentType::SpectrumType & getSpectrum(Size spectrum_idx) const
Definition: LayerDataPeak.h:101
ProjectionData getProjection(const DIM_UNIT unit_x, const DIM_UNIT unit_y, const RangeAllType &area) const override
RangeAllType getRange() const override
Definition: LayerDataPeak.h:86
LayerDataPeak(const LayerDataPeak &ld)=default
Copy-ctor.
std::unique_ptr< LayerStoreData > storeVisibleData(const RangeAllType &visible_range, const DataFilters &layer_filters) const override
Returns a visitor which contains the current visible data and can write the data to disk.
LayerDataPeak & operator=(const LayerDataPeak &ld)=delete
no assignment operator (should not be needed)
std::unique_ptr< Painter2DBase > getPainter2D() const override
Obtain a painter which can draw the layer on a 2D canvas.
void updateRanges() override
Update ranges of the underlying data.
Definition: LayerDataPeak.h:80
String getDataArrayDescription(const PeakIndex &peak_index) override
Get name and value of all data-arrays corresponding to the given datapoint.
void labelAsDIAData()
Label the current layer as DIA (SWATH-MS) data.
Definition: LayerDataPeak.h:181
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:72
The representation of a 1D spectrum.
Definition: MSSpectrum.h:70
OpenMS::Peak1D PeakType
Peak type.
Definition: MSSpectrum.h:112
Representation of a mass spectrometry experiment on disk.
Definition: OnDiscMSExperiment.h:67
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:54
auto & assign(const RangeManager< RangeBasesOther... > &rhs)
Definition: RangeManager.h:612
A more convenient string class.
Definition: String.h:60
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
MSSpectrum SpectrumType
Definition: MzDataHandler.h:60
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48
DIM_UNIT
Definition: CommonEnums.h:46
Result of computing a projection on X and Y axis in a 2D Canvas; see LayerDataBase::getProjection()
Definition: LayerDataBase.h:77
boost::shared_ptr< ExperimentType > ExperimentSharedPtrType
SharedPtr on MSExperiment.
Definition: LayerDataBase.h:152
boost::shared_ptr< OnDiscMSExperiment > ODExperimentSharedPtrType
SharedPtr on On-Disc MSExperiment.
Definition: LayerDataBase.h:157
boost::shared_ptr< const ExperimentType > ConstExperimentSharedPtrType
Definition: LayerDataBase.h:154
Index of a peak or feature.
Definition: PeakIndex.h:51