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OpenMS
2.5.0
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48 #include <OpenMS/OpenMSConfig.h>
56 class ProteinIdentification;
57 class PeptideIdentification;
96 private std::vector<Feature>,
110 using privvec::value_type;
111 using privvec::iterator;
112 using privvec::const_iterator;
113 using privvec::size_type;
114 using privvec::pointer;
115 using privvec::reference;
116 using privvec::const_reference;
117 using privvec::difference_type;
120 using privvec::begin;
124 using privvec::resize;
125 using privvec::empty;
126 using privvec::reserve;
127 using privvec::operator[];
131 using privvec::push_back;
132 using privvec::pop_back;
133 using privvec::erase;
138 typedef std::vector<FeatureType>
Base;
248 OPENMS_DLLAPI
void setDataProcessing(
const std::vector<DataProcessing>& processing_method);
265 OPENMS_DLLAPI
void clear(
bool clear_meta_data =
true);
279 template <
typename Type>
282 Size assignments = 0;
283 assignments += ((*this).*member_function)();
284 for (
Iterator iter = this->begin(); iter != this->end(); ++iter)
286 assignments += iter->applyMemberFunction(member_function);
292 template <
typename Type>
295 Size assignments = 0;
296 assignments += ((*this).*member_function)();
297 for (
ConstIterator iter = this->begin(); iter != this->end(); ++iter)
299 assignments += iter->applyMemberFunction(member_function);
A map feature grouping algorithm for labeling techniques with two labels.
Definition: FeatureGroupingAlgorithmLabeled.h:50
RangeManager< 2 > RangeManagerType
Definition: FeatureMap.h:137
Base class for all feature grouping algorithms.
Definition: FeatureGroupingAlgorithm.h:49
Base class for TOPP applications.
Definition: TOPPBase.h:144
Size applyMemberFunction(Size(Type::*member_function)())
Applies a member function of Type to the container itself and all consensus features....
Definition: ConsensusMap.h:337
Representation of the Experimental Design in OpenMS. Instances can be loaded via the ExperimentalDesi...
Definition: ExperimentalDesign.h:85
Param copy(const String &prefix, bool remove_prefix=false) const
Returns a new Param object containing all entries that start with prefix.
static ExperimentalDesign load(const String &tsv_file, bool require_spectra_files)
Loads an experimental design from a tabular separated file.
FeatureMap & operator+=(const FeatureMap &rhs)
Add one feature map to another.
A feature grouping algorithm for unlabeled data.
Definition: FeatureGroupingAlgorithmQT.h:52
OPENMS_UINT64_TYPE UInt64
Unsigned integer type (64bit)
Definition: Types.h:77
void swapFeaturesOnly(FeatureMap &from)
Swaps the feature content (plus its range information) of this map with the content of from.
Options for loading files containing features.
Definition: FeatureFileOptions.h:46
void store(const String &filename, const ConsensusMap &consensus_map)
Stores a consensus map to file.
AnnotationState
state of identification, use getIDState() to query it
Definition: BaseFeature.h:70
std::vector< ProteinIdentification > protein_identifications_
protein identifications
Definition: FeatureMap.h:309
void updateRanges() override
Updates minimum and maximum position/intensity.
Base::iterator Iterator
Definition: FeatureMap.h:139
void sortByIntensity(bool reverse=false)
Sorts the peaks according to ascending intensity.
std::map< unsigned int, std::vector< String > > getFractionToMSFilesMapping() const
return fraction index to file paths (ordered by fraction_group)
A more convenient string class.
Definition: String.h:58
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
OpenMS consensus map format (.consensusXML)
Definition: FileTypes.h:67
A base class defining a common interface for all classes having a unique id.
Definition: UniqueIdInterface.h:51
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
Feature FeatureType
Definition: FeatureMap.h:136
void getPrimaryMSRunPath(StringList &toFill) const
get the file path to the first MS run
void setPrimaryMSRunPath(const StringList &s)
set the file path to the primary MS run (usually the mzML file obtained after data conversion from ra...
void sortByMZ()
Sort features by m/z position.
void setUnassignedPeptideIdentifications(const std::vector< PeptideIdentification > &unassigned_peptide_identifications)
sets the unassigned peptide identifications
#define OPENMS_LOG_WARN
Macro if a warning, a piece of information which should be read by the user, should be logged.
Definition: LogStream.h:460
Size applyMemberFunction(Size(Type::*member_function)() const) const
The "const" variant.
Definition: FeatureMap.h:293
std::vector< DataProcessing > data_processing_
applied data processing
Definition: FeatureMap.h:315
AnnotationStatistics getAnnotationStatistics() const
void sortPeptideIdentificationsByMapIndex()
Sorts PeptideIdentifications of consensus features with respect to their map index.
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
void updateRanges() override
Updates minimum and maximum position/intensity.
Handles the management of a position and intensity range.
Definition: RangeManager.h:47
~FeatureMap() override
Destructor.
OpenMS feature file (.featureXML)
Definition: FileTypes.h:65
Base class for all classes that want to report their progress.
Definition: ProgressLogger.h:54
void swap(FeatureMap &from)
A base class for random access containers for classes derived from UniqueIdInterface that adds functi...
Definition: UniqueIdIndexer.h:63
void transferSubelements(const std::vector< ConsensusMap > &maps, ConsensusMap &out) const
Transfers subelements (grouped features) from input consensus maps to the result consensus map.
Definition: FeatureMap.h:62
Manage source document information.
Definition: DocumentIdentifier.h:55
const std::vector< ProteinIdentification > & getProteinIdentifications() const
non-mutable access to the protein identifications
void setDataProcessing(const std::vector< DataProcessing > &processing_method)
sets the description of the applied data processing
Size loadSize(const String &filename)
void setColumnHeaders(const ColumnHeaders &column_description)
Mutable access to the file descriptions.
Base::const_reverse_iterator ConstReverseIterator
Definition: FeatureMap.h:142
void load(const String &filename, FeatureMap &feature_map)
loads the file with name filename into map and calls updateRanges().
Type
Actual file types enum.
Definition: FileTypes.h:58
Base::reverse_iterator ReverseIterator
Definition: FeatureMap.h:141
static FileTypes::Type getType(const String &filename)
Tries to determine the file type (by name or content)
Size setUniqueId()
Assigns a new, valid unique id. Always returns 1.
Definition: UniqueIdInterface.h:146
const std::vector< PeptideIdentification > & getUnassignedPeptideIdentifications() const
non-mutable access to the unassigned peptide identifications
void setReference(int map_id, const MapType &map)
Sets the reference map for the algorithm.
Definition: FeatureGroupingAlgorithmUnlabeled.h:79
void setParameters(const Param ¶m)
Sets the parameters.
Size applyMemberFunction(Size(Type::*member_function)())
Applies a member function of Type to the container itself and all features (including subordinates)....
Definition: FeatureMap.h:280
const Param & getParameters() const
Non-mutable access to the parameters.
Feature grouping
Definition: DataProcessing.h:73
std::vector< FeatureType > Base
Definition: FeatureMap.h:138
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
A container for consensus elements.
Definition: ConsensusMap.h:79
const std::vector< PeptideIdentification > & getUnassignedPeptideIdentifications() const
non-mutable access to the unassigned peptide identifications
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
std::vector< Feature > privvec
Definition: FeatureMap.h:107
unsigned getNumberOfFractions() const
const typedef FeatureType & ConstReference
Definition: FeatureMap.h:144
void setProteinIdentifications(const std::vector< ProteinIdentification > &protein_identifications)
sets the protein identifications
int main(int argc, const char **argv)
Definition: INIFileEditor.cpp:73
virtual void group(const std::vector< FeatureMap > &maps, ConsensusMap &out)=0
Applies the algorithm. The features in the input maps are grouped and the output is written to the co...
FeatureType & Reference
Definition: FeatureMap.h:143
const ColumnHeaders & getColumnHeaders() const
Non-mutable access to the file descriptions.
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
void setLoadSubordinates(bool sub)
A container for features.
Definition: FeatureMap.h:95
Represents the peptide hits for a spectrum.
Definition: PeptideIdentification.h:62
An LC-MS feature.
Definition: Feature.h:70
void sortByRT()
Sort features by RT position.
This class provides Input/Output functionality for feature maps.
Definition: FeatureXMLFile.h:68
void sortByMZ()
Sorts the peaks to m/z position.
FeatureMap()
Default constructor.
std::vector< PeptideIdentification > unassigned_peptide_identifications_
peptide identifications not matched to a specific feature
Definition: FeatureMap.h:312
void sortByOverallQuality(bool reverse=false)
Sort features by ascending overall quality.
Management and storage of parameters / INI files.
Definition: Param.h:73
FeatureMap operator+(const FeatureMap &rhs) const
Joins two feature maps.
bool operator==(const FeatureMap &rhs) const
Equality operator.
#define OPENMS_LOG_INFO
Macro if a information, e.g. a status should be reported.
Definition: LogStream.h:465
Base::const_iterator ConstIterator
Definition: FeatureMap.h:140
void setLoadConvexHull(bool convex)
bool operator!=(const FeatureMap &rhs) const
Equality operator.
void addToGroup(int map_id, const FeatureMap &feature_map)
Adds one map to the group.
A feature grouping algorithm for unlabeled data.
Definition: FeatureGroupingAlgorithmKD.h:178
const std::vector< DataProcessing > & getDataProcessing() const
returns a const reference to the description of the applied data processing
void sortByPosition()
Sort features by position. Lexicographical comparison (first RT then m/z) is done.
UInt64 getUniqueId() const
Non-mutable access to unique id - returns the unique id.
Definition: UniqueIdInterface.h:105
FeatureMap & operator=(const FeatureMap &rhs)
Assignment operator.
FeatureFileOptions & getOptions()
Mutable access to the options for loading/storing.
void setPrimaryMSRunPath(const StringList &s)
set the file paths to the primary MS run (stored in ColumnHeaders)
void clear(bool clear_meta_data=true)
Clears all data and meta data.
bool sameNrOfMSFilesPerFraction() const
const std::vector< ProteinIdentification > & getProteinIdentifications() const
non-mutable access to the protein identifications
This class provides Input functionality for ConsensusMaps and Output functionality for alignments and...
Definition: ConsensusXMLFile.h:61
A map feature grouping algorithm for unlabeled data.
Definition: FeatureGroupingAlgorithmUnlabeled.h:61
ConsensusMap & getResultMap()
Returns the computed consensus map (after calling addToGroup with all maps)
Definition: FeatureGroupingAlgorithmUnlabeled.h:87
Command line progress.
Definition: ProgressLogger.h:72
std::vector< Size > states
count each state, indexing by BaseFeature::AnnotationState
Definition: FeatureMap.h:64