OpenMS  3.0.0
ConsensusMap.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 2002-2022.
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: $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
42 
45 
46 #include <OpenMS/CONCEPT/Types.h>
51 #include <OpenMS/OpenMSConfig.h>
52 
53 #include <map>
54 #include <vector>
55 #include <iosfwd>
56 
57 namespace OpenMS
58 {
59  class PeptideIdentification;
60  class PeptideHit;
61  class ProteinIdentification;
62  class DataProcessing;
63  namespace Logger
64  {
65  class LogStream;
66  }
67 
83  class OPENMS_DLLAPI ConsensusMap :
84  public MetaInfoInterface,
85  public RangeManagerContainer<RangeRT, RangeMZ, RangeIntensity>,
86  public DocumentIdentifier,
87  public ExposedVector<ConsensusFeature>,
88  public UniqueIdInterface,
89  public UniqueIdIndexer<ConsensusMap>,
90  public MapUtilities<ConsensusMap>
91  {
92 public:
94 
95  enum class SplitMeta
96  {
97  DISCARD,
98  COPY_ALL,
99  COPY_FIRST
100  };
101 
103  struct ColumnHeader :
104  public MetaInfoInterface
105  {
107  ColumnHeader() = default;
108 
110  ColumnHeader(const ColumnHeader&) = default;
111 
113  ColumnHeader& operator=(const ColumnHeader&) = default;
114 
117 
120 
123  Size size = 0;
124 
127 
128  unsigned getLabelAsUInt(const String& experiment_type) const;
129  };
130 
132 
134  typedef std::map<UInt64, ColumnHeader> ColumnHeaders;
135 
143 
145  ConsensusMap();
146 
148  ConsensusMap(const ConsensusMap& source);
150  ConsensusMap(ConsensusMap&& source);
151 
153  ~ConsensusMap() override;
154 
156  explicit ConsensusMap(size_type n);
157 
159  ConsensusMap& operator=(const ConsensusMap& source);
161  ConsensusMap& operator=(ConsensusMap&& source) = default;
162 
172  ConsensusMap& appendRows(const ConsensusMap& rhs);
173 
181  ConsensusMap& appendColumns(const ConsensusMap& rhs);
182 
183 
189  void clear(bool clear_meta_data = true);
190 
192  const ColumnHeaders& getColumnHeaders() const;
193 
195  ColumnHeaders& getColumnHeaders();
196 
198  void setColumnHeaders(const ColumnHeaders& column_description);
199 
201  const String& getExperimentType() const;
202 
204  void setExperimentType(const String& experiment_type);
205 
213  void sortByIntensity(bool reverse = false);
215 
217  void sortByRT();
218 
220  void sortByMZ();
221 
223  void sortByPosition();
224 
226  void sortByQuality(bool reverse = false);
227 
229  void sortBySize();
230 
232  void sortByMaps();
233 
235  void sortPeptideIdentificationsByMapIndex();
237 
238  // Docu in base class
239  void updateRanges() override;
240 
242  void swap(ConsensusMap& from);
243 
245  const std::vector<ProteinIdentification>& getProteinIdentifications() const;
246 
248  std::vector<ProteinIdentification>& getProteinIdentifications();
249 
251  void setProteinIdentifications(const std::vector<ProteinIdentification>& protein_identifications);
252 
254  void setProteinIdentifications(std::vector<ProteinIdentification>&& protein_identifications);
255 
257  const std::vector<PeptideIdentification>& getUnassignedPeptideIdentifications() const;
258 
260  std::vector<PeptideIdentification>& getUnassignedPeptideIdentifications();
261 
263  void setUnassignedPeptideIdentifications(const std::vector<PeptideIdentification>& unassigned_peptide_identifications);
264 
266  const std::vector<DataProcessing>& getDataProcessing() const;
267 
269  std::vector<DataProcessing>& getDataProcessing();
270 
272  void setDataProcessing(const std::vector<DataProcessing>& processing_method);
273 
275  void setPrimaryMSRunPath(const StringList& s);
276 
281  void setPrimaryMSRunPath(const StringList& s, MSExperiment & e);
282 
284  void getPrimaryMSRunPath(StringList& toFill) const;
285 
287  bool operator==(const ConsensusMap& rhs) const;
288 
290  bool operator!=(const ConsensusMap& rhs) const;
291 
305  template <typename Type>
306  Size applyMemberFunction(Size (Type::* member_function)())
307  {
308  Size assignments = 0;
309  assignments += ((*this).*member_function)();
310  for (Iterator iter = this->begin(); iter != this->end(); ++iter)
311  {
312  assignments += ((*iter).*member_function)();
313  }
314  return assignments;
315  }
316 
318  template <typename Type>
319  Size applyMemberFunction(Size (Type::* member_function)() const) const
320  {
321  Size assignments = 0;
322  assignments += ((*this).*member_function)();
323  for (ConstIterator iter = this->begin(); iter != this->end(); ++iter)
324  {
325  assignments += ((*iter).*member_function)();
326  }
327  return assignments;
328  }
329 
342  bool isMapConsistent(Logger::LogStream* stream = nullptr) const;
343 
357  std::vector<FeatureMap> split(SplitMeta mode = SplitMeta::DISCARD) const;
358 
359 protected:
362 
364  String experiment_type_ = "label-free";
365 
367  std::vector<ProteinIdentification> protein_identifications_;
368 
370  std::vector<PeptideIdentification> unassigned_peptide_identifications_;
371 
373  std::vector<DataProcessing> data_processing_;
374  };
375 
377  OPENMS_DLLAPI std::ostream& operator<<(std::ostream& os, const ConsensusMap& cons_map);
378 
379 } // namespace OpenMS
380 
reverse_iterator ReverseIterator
Definition: ConsensusMap.h:140
A more convenient string class.
Definition: String.h:58
typename VecMember::const_reverse_iterator const_reverse_iterator
Definition: ExposedVector.h:90
const_reverse_iterator ConstReverseIterator
Definition: ConsensusMap.h:141
RangeManagerContainer< RangeRT, RangeMZ, RangeIntensity > RangeManagerContainerType
Definition: ConsensusMap.h:136
std::vector< PeptideIdentification > unassigned_peptide_identifications_
unassigned peptide identifications (without feature)
Definition: ConsensusMap.h:370
RangeManager< RangeRT, RangeMZ, RangeIntensity > RangeManagerType
Definition: ConsensusMap.h:137
A container for consensus elements.
Definition: ConsensusMap.h:83
ColumnHeaders column_description_
Map from index to file description.
Definition: ConsensusMap.h:361
const_iterator ConstIterator
Definition: ConsensusMap.h:139
bool operator==(const IDBoostGraph::ProteinGroup &lhs, const IDBoostGraph::ProteinGroup &rhs)
Size applyMemberFunction(Size(Type::*member_function)())
Applies a member function of Type to the container itself and all consensus features. The returned values are accumulated.
Definition: ConsensusMap.h:306
static bool split(const String &this_s, const char splitter, std::vector< String > &substrings, bool quote_protect)
Definition: StringUtilsSimple.h:365
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
std::vector< DataProcessing > data_processing_
applied data processing
Definition: ConsensusMap.h:373
Log Stream Class.
Definition: LogStream.h:316
#define EXPOSED_VECTOR_INTERFACE(InnerElement)
Macro to expose common dependent types, such as iterator in the derived class.
Definition: ExposedVector.h:45
iterator Iterator
Definition: ConsensusMap.h:138
Utilities for Feature and ConsensusMap.
Definition: MapUtilities.h:49
typename VecMember::const_iterator const_iterator
Definition: ExposedVector.h:88
String label
Label e.g. &#39;heavy&#39; and &#39;light&#39; for ICAT, or &#39;sample1&#39; and &#39;sample2&#39; for label-free quantitation...
Definition: ConsensusMap.h:119
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
A base class for containers with elements derived from UniqueIdInterface. This adds functionality to ...
Definition: UniqueIdIndexer.h:66
static String & reverse(String &this_s)
Definition: StringUtilsSimple.h:355
OPENMS_UINT64_TYPE UInt64
Unsigned integer type (64bit)
Definition: Types.h:77
Interface for classes that can store arbitrary meta information (Type-Name-Value tuples).
Definition: MetaInfoInterface.h:60
std::map< UInt64, ColumnHeader > ColumnHeaders
Definition: ConsensusMap.h:134
typename VecMember::iterator iterator
Definition: ExposedVector.h:87
A base class defining a common interface for all classes having a unique id.
Definition: UniqueIdInterface.h:50
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
Definition: UniqueIdInterface.h:60
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:70
typename VecMember::size_type size_type
Definition: ExposedVector.h:91
std::vector< ProteinIdentification > protein_identifications_
protein identifications
Definition: ConsensusMap.h:367
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
ConsensusFeature FeatureType
Definition: ConsensusMap.h:133
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
typename VecMember::reverse_iterator reverse_iterator
Definition: ExposedVector.h:89
Size applyMemberFunction(Size(Type::*member_function)() const) const
The "const" variant.
Definition: ConsensusMap.h:319
Description of the columns in a consensus map.
Definition: ConsensusMap.h:103
String filename
File name of the mzML file.
Definition: ConsensusMap.h:116
Handles the management of a multidimensional range, e.g. RangeMZ and RangeIntensity for spectra...
Definition: RangeManager.h:565
Definition: RangeManager.h:896
SplitMeta
Definition: ConsensusMap.h:95
Makes a vector<VectorElement> available in the derived class and exposed commonly used vector member ...
Definition: ExposedVector.h:80
Manage source document information.
Definition: DocumentIdentifier.h:55
A consensus feature spanning multiple LC-MS/MS experiments.
Definition: ConsensusFeature.h:69