OpenMS  2.7.0
FeatureMap.h
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31 // $Maintainer: Chris Bielow $
32 // $Authors: Marc Sturm, Chris Bielow, Clemens Groepl $
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34 
35 #pragma once
36 
37 #include <OpenMS/KERNEL/Feature.h>
40 
43 
44 #include <OpenMS/CONCEPT/Types.h>
48 
50 #include <OpenMS/OpenMSConfig.h>
51 
52 #include <algorithm>
53 #include <exception>
54 #include <vector>
55 
56 namespace OpenMS
57 {
58  class ProteinIdentification;
59  class PeptideIdentification;
60  class DataProcessing;
61 
64  struct OPENMS_DLLAPI AnnotationStatistics
65  {
66  std::vector<Size> states;
67 
69 
71 
73 
74  bool operator==(const AnnotationStatistics& rhs) const;
75 
77  };
78 
79 
81  OPENMS_DLLAPI std::ostream& operator<<(std::ostream& os, const AnnotationStatistics& ann);
82 
97  class FeatureMap :
98  private std::vector<Feature>,
99  public MetaInfoInterface,
100  public RangeManager<2>,
101  public DocumentIdentifier,
102  public UniqueIdInterface,
103  public UniqueIdIndexer<FeatureMap>,
104  public MapUtilities<FeatureMap>
105  {
106 public:
110  typedef std::vector<Feature> privvec;
111 
112  // types
113  using privvec::value_type;
114  using privvec::iterator;
115  using privvec::const_iterator;
116  using privvec::size_type;
117  using privvec::pointer; // ConstRefVector
118  using privvec::reference; // ConstRefVector
119  using privvec::const_reference; // ConstRefVector
120  using privvec::difference_type; // ConstRefVector
121 
122  // functions
123  using privvec::begin;
124  using privvec::end;
125 
126  using privvec::size;
127  using privvec::resize; // ConsensusMap, FeatureXMLFile
128  using privvec::empty;
129  using privvec::reserve;
130  using privvec::operator[];
131  using privvec::at; // UniqueIdIndexer
132  using privvec::back; // FeatureXMLFile
133 
134  using privvec::push_back;
135  using privvec::emplace_back;
136  using privvec::pop_back; // FeatureXMLFile
137  using privvec::erase; // source/VISUAL/Plot2DCanvas.cpp 2871, FeatureMap_test 599
138 
142  typedef std::vector<FeatureType> Base;
143  typedef Base::iterator Iterator;
144  typedef Base::const_iterator ConstIterator;
145  typedef Base::reverse_iterator ReverseIterator;
146  typedef Base::const_reverse_iterator ConstReverseIterator;
148  typedef const FeatureType& ConstReference;
150 
155 
157  OPENMS_DLLAPI FeatureMap();
158 
160  OPENMS_DLLAPI FeatureMap(const FeatureMap& source);
161 
163  OPENMS_DLLAPI ~FeatureMap() override;
165 
167  OPENMS_DLLAPI FeatureMap& operator=(const FeatureMap& rhs);
168 
170  OPENMS_DLLAPI bool operator==(const FeatureMap& rhs) const;
171 
173  OPENMS_DLLAPI bool operator!=(const FeatureMap& rhs) const;
174 
180  OPENMS_DLLAPI FeatureMap operator+(const FeatureMap& rhs) const;
181 
194  OPENMS_DLLAPI FeatureMap& operator+=(const FeatureMap& rhs);
195 
203  OPENMS_DLLAPI void sortByIntensity(bool reverse = false);
204 
206  OPENMS_DLLAPI void sortByPosition();
207 
209  OPENMS_DLLAPI void sortByRT();
210 
212  OPENMS_DLLAPI void sortByMZ();
213 
215  OPENMS_DLLAPI void sortByOverallQuality(bool reverse = false);
216 
218 
219  // Docu in base class
220  OPENMS_DLLAPI void updateRanges() override;
221 
223  OPENMS_DLLAPI void swapFeaturesOnly(FeatureMap& from);
224 
225  OPENMS_DLLAPI void swap(FeatureMap& from);
226 
228  OPENMS_DLLAPI const std::vector<ProteinIdentification>& getProteinIdentifications() const;
229 
231  OPENMS_DLLAPI std::vector<ProteinIdentification>& getProteinIdentifications();
232 
234  OPENMS_DLLAPI void setProteinIdentifications(const std::vector<ProteinIdentification>& protein_identifications);
235 
237  OPENMS_DLLAPI const std::vector<PeptideIdentification>& getUnassignedPeptideIdentifications() const;
238 
240  OPENMS_DLLAPI std::vector<PeptideIdentification>& getUnassignedPeptideIdentifications();
241 
243  OPENMS_DLLAPI void setUnassignedPeptideIdentifications(const std::vector<PeptideIdentification>& unassigned_peptide_identifications);
244 
246  OPENMS_DLLAPI const std::vector<DataProcessing>& getDataProcessing() const;
247 
249  OPENMS_DLLAPI std::vector<DataProcessing>& getDataProcessing();
250 
252  OPENMS_DLLAPI void setDataProcessing(const std::vector<DataProcessing>& processing_method);
253 
255  OPENMS_DLLAPI void setPrimaryMSRunPath(const StringList& s);
256 
259  OPENMS_DLLAPI void setPrimaryMSRunPath(const StringList& s, MSExperiment & e);
260 
262  OPENMS_DLLAPI void getPrimaryMSRunPath(StringList& toFill) const;
263 
269  OPENMS_DLLAPI void clear(bool clear_meta_data = true);
270 
283  template <typename Type>
284  Size applyMemberFunction(Size (Type::* member_function)())
285  {
286  Size assignments = 0;
287  assignments += ((*this).*member_function)();
288  for (Iterator iter = this->begin(); iter != this->end(); ++iter)
289  {
290  assignments += iter->applyMemberFunction(member_function);
291  }
292  return assignments;
293  }
294 
296  template <typename Type>
297  Size applyMemberFunction(Size (Type::* member_function)() const) const
298  {
299  Size assignments = 0;
300  assignments += ((*this).*member_function)();
301  for (ConstIterator iter = this->begin(); iter != this->end(); ++iter)
302  {
303  assignments += iter->applyMemberFunction(member_function);
304  }
305  return assignments;
306  }
307 
309 
310 protected:
311 
313  std::vector<ProteinIdentification> protein_identifications_;
314 
316  std::vector<PeptideIdentification> unassigned_peptide_identifications_;
317 
319  std::vector<DataProcessing> data_processing_;
320 
321  };
322 
323  OPENMS_DLLAPI std::ostream& operator<<(std::ostream& os, const FeatureMap& map);
324 
325 } // namespace OpenMS
AnnotationState
state of identification, use getIDState() to query it
Definition: BaseFeature.h:71
Manage source document information.
Definition: DocumentIdentifier.h:56
A container for features.
Definition: FeatureMap.h:105
RangeManager< 2 > RangeManagerType
Definition: FeatureMap.h:141
void sortByOverallQuality(bool reverse=false)
Sort features by ascending overall quality.
void sortByRT()
Sort features by RT position.
FeatureMap & operator=(const FeatureMap &rhs)
Assignment operator.
const std::vector< DataProcessing > & getDataProcessing() const
returns a const reference to the description of the applied data processing
~FeatureMap() override
Destructor.
std::vector< PeptideIdentification > & getUnassignedPeptideIdentifications()
mutable access to the unassigned peptide identifications
Size applyMemberFunction(Size(Type::*member_function)())
Applies a member function of Type to the container itself and all features (including subordinates)....
Definition: FeatureMap.h:284
FeatureMap operator+(const FeatureMap &rhs) const
Joins two feature maps.
void swapFeaturesOnly(FeatureMap &from)
Swaps the feature content (plus its range information) of this map with the content of from.
std::vector< FeatureType > Base
Definition: FeatureMap.h:142
void setUnassignedPeptideIdentifications(const std::vector< PeptideIdentification > &unassigned_peptide_identifications)
sets the unassigned peptide identifications
const FeatureType & ConstReference
Definition: FeatureMap.h:148
void setPrimaryMSRunPath(const StringList &s)
set the file path to the primary MS run (usually the mzML file obtained after data conversion from ra...
std::vector< DataProcessing > data_processing_
applied data processing
Definition: FeatureMap.h:319
void sortByMZ()
Sort features by m/z position.
std::vector< ProteinIdentification > & getProteinIdentifications()
mutable access to the protein identifications
bool operator!=(const FeatureMap &rhs) const
Equality operator.
void setProteinIdentifications(const std::vector< ProteinIdentification > &protein_identifications)
sets the protein identifications
FeatureMap & operator+=(const FeatureMap &rhs)
Add one feature map to another.
void swap(FeatureMap &from)
void clear(bool clear_meta_data=true)
Clears all data and meta data.
void sortByPosition()
Sort features by position. Lexicographical comparison (first RT then m/z) is done.
Base::const_reverse_iterator ConstReverseIterator
Definition: FeatureMap.h:146
void setDataProcessing(const std::vector< DataProcessing > &processing_method)
sets the description of the applied data processing
FeatureMap()
Default constructor.
void sortByIntensity(bool reverse=false)
Sorts the peaks according to ascending intensity.
std::vector< DataProcessing > & getDataProcessing()
returns a mutable reference to the description of the applied data processing
void getPrimaryMSRunPath(StringList &toFill) const
get the file path to the first MS run
FeatureMap(const FeatureMap &source)
Copy constructor.
std::vector< Feature > privvec
Definition: FeatureMap.h:110
AnnotationStatistics getAnnotationStatistics() const
FeatureType & Reference
Definition: FeatureMap.h:147
std::vector< PeptideIdentification > unassigned_peptide_identifications_
peptide identifications not matched to a specific feature
Definition: FeatureMap.h:316
Base::const_iterator ConstIterator
Definition: FeatureMap.h:144
const std::vector< ProteinIdentification > & getProteinIdentifications() const
non-mutable access to the protein identifications
const std::vector< PeptideIdentification > & getUnassignedPeptideIdentifications() const
non-mutable access to the unassigned peptide identifications
Base::reverse_iterator ReverseIterator
Definition: FeatureMap.h:145
Feature FeatureType
Definition: FeatureMap.h:140
Base::iterator Iterator
Definition: FeatureMap.h:143
std::vector< ProteinIdentification > protein_identifications_
protein identifications
Definition: FeatureMap.h:313
void updateRanges() override
Updates minimum and maximum position/intensity.
bool operator==(const FeatureMap &rhs) const
Equality operator.
void setPrimaryMSRunPath(const StringList &s, MSExperiment &e)
Size applyMemberFunction(Size(Type::*member_function)() const) const
The "const" variant.
Definition: FeatureMap.h:297
An LC-MS feature.
Definition: Feature.h:72
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:80
Utilities for Feature and ConsensusMap.
Definition: MapUtilities.h:50
Interface for classes that can store arbitrary meta information (Type-Name-Value tuples).
Definition: MetaInfoInterface.h:61
Handles the management of a position and intensity range.
Definition: RangeManager.h:48
A base class for random access containers for classes derived from UniqueIdInterface that adds functi...
Definition: UniqueIdIndexer.h:64
A base class defining a common interface for all classes having a unique id.
Definition: UniqueIdInterface.h:52
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
Definition: FeatureMap.h:65
AnnotationStatistics(const AnnotationStatistics &rhs)
std::vector< Size > states
count each state, indexing by BaseFeature::AnnotationState
Definition: FeatureMap.h:66
AnnotationStatistics & operator+=(BaseFeature::AnnotationState state)
AnnotationStatistics & operator=(const AnnotationStatistics &rhs)
bool operator==(const AnnotationStatistics &rhs) const