OpenMS  2.5.0
MarkerMower.h
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31 // $Maintainer: Mathias Walzer $
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34 //
35 #pragma once
36 
40 
43 
44 #include <vector>
45 #include <map>
46 
47 namespace OpenMS
48 {
54  class OPENMS_DLLAPI MarkerMower :
55  public DefaultParamHandler
56  {
57 public:
58 
59  // @name Constructors and Destructors
60  // @{
62  MarkerMower();
64  ~MarkerMower() override;
65 
67  MarkerMower(const MarkerMower & source);
69  MarkerMower & operator=(const MarkerMower & source);
70  // @}
71 
72  // @name Accessors
73  // @{
75  template <typename SpectrumType>
76  void filterSpectrum(SpectrumType & spectrum)
77  {
78  typedef typename SpectrumType::Iterator Iterator;
79 
80  std::map<double, int> marks;
81  for (std::vector<PeakMarker *>::const_iterator cvit = markers_.begin(); cvit != markers_.end(); ++cvit)
82  {
83  std::map<double, bool> marked;
84  (*cvit)->apply(marked, spectrum);
85  for (std::map<double, bool>::const_iterator cmit = marked.begin(); cmit != marked.end(); ++cmit)
86  {
87  if (cmit->second)
88  {
89  marks[cmit->first]++;
90  }
91  }
92  }
93 
94  for (Iterator it = spectrum.begin(); it != spectrum.end(); )
95  {
96  if (marks[it->getMZ()] > 0)
97  {
98  ++it;
99  }
100  else
101  {
102  it = spectrum.erase(it);
103  }
104  }
105  }
106 
107  void filterPeakSpectrum(PeakSpectrum & spectrum);
108 
109  void filterPeakMap(PeakMap & exp);
110 
111  static const String getProductName()
112  {
113  return "MarkerMower";
114  }
115 
117  void insertmarker(PeakMarker * peak_marker);
118 
119  //TODO reimplement DefaultParamHandler::updateMembers_()
120 
121  // @}
122 
123 private:
125  std::vector<PeakMarker *> markers_;
126 
127  };
128 }
LogStream.h
OpenMS::RangeManager::getMax
const PositionType & getMax() const
Returns the maximum position.
Definition: RangeManager.h:117
DefaultParamHandler.h
OpenMS::FileTypes::IDXML
OpenMS identification format (.idXML)
Definition: FileTypes.h:66
ConsensusXMLFile.h
OpenMS::TOPPBase
Base class for TOPP applications.
Definition: TOPPBase.h:144
OpenMS::Param::copy
Param copy(const String &prefix, bool remove_prefix=false) const
Returns a new Param object containing all entries that start with prefix.
FileHandler.h
FileTypes.h
OpenMS::Math::SummaryStatistics::mean
double mean
Definition: StatisticFunctions.h:686
OpenMS::MapAlignmentTransformer::transformRetentionTimes
static void transformRetentionTimes(PeakMap &msexp, const TransformationDescription &trafo, bool store_original_rt=false)
Applies the given transformation to a peak map.
OpenMS::writtenDigits
constexpr Int writtenDigits(const FloatingPointType &=FloatingPointType())
Number of digits commonly used for writing a floating point type (a.k.a. precision)....
Definition: Types.h:294
OpenMS::Math::SummaryStatistics::median
double median
Definition: StatisticFunctions.h:686
double
OpenMS::DataProcessing::NORMALIZATION
Normalization of intensity values.
Definition: DataProcessing.h:70
OpenMS::IdXMLFile::store
void store(const String &filename, const std::vector< ProteinIdentification > &protein_ids, const std::vector< PeptideIdentification > &peptide_ids, const String &document_id="")
Stores the data in an idXML file.
OpenMS::PeptideIdentification::insertHit
void insertHit(const PeptideHit &hit)
Appends a peptide hit.
OpenMS::ConsensusMap::updateRanges
void updateRanges() override
Updates minimum and maximum position/intensity.
OpenMS::DocumentIdentifier::getIdentifier
const String & getIdentifier() const
retrieve document identifier (e.g. an LSID)
OpenMS::MSExperiment::sortSpectra
void sortSpectra(bool sort_mz=true)
Sorts the data points by retention time.
OpenMS::DataProcessing::ALIGNMENT
Retention time alignment of different maps.
Definition: DataProcessing.h:68
OpenMS::MzMLFile::store
void store(const String &filename, const PeakMap &map) const
Stores a map in an MzML file.
OpenMS::FileTypes::MZML
MzML file (.mzML)
Definition: FileTypes.h:72
PeakMarker.h
OpenMS::MzMLFile
File adapter for MzML files.
Definition: MzMLFile.h:55
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::MSExperiment::begin
Iterator begin()
Definition: MSExperiment.h:157
KDTree::operator!=
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
MzMLFile.h
OpenMS::String::removeWhitespaces
String & removeWhitespaces()
removes whitespaces (space, tab, line feed, carriage return)
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
OpenMS::FileTypes::CONSENSUSXML
OpenMS consensus map format (.consensusXML)
Definition: FileTypes.h:67
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
IdXMLFile.h
FeatureXMLFile.h
OpenMS::Math::SummaryStatistics
Helper class to gather (and dump) some statistics from a e.g. vector<double>.
Definition: StatisticFunctions.h:657
StatisticFunctions.h
OpenMS::Param::getValue
const DataValue & getValue(const String &key) const
Returns a value of a parameter.
OpenMS::File::getUniqueName
static String getUniqueName(bool include_hostname=true)
Returns a string, consisting of date, time, hostname, process id, and a incrementing number....
Map.h
OpenMS::operator<
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
OpenMS::FileTypes::UNKNOWN
Unknown file extension.
Definition: FileTypes.h:60
OPENMS_LOG_WARN
#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
OpenMS::ProteinIdentification
Representation of a protein identification run.
Definition: ProteinIdentification.h:71
Constants.h
OpenMS::TransformationDescription::invert
void invert()
Computes an (approximate) inverse of the transformation.
OpenMS::Peak2D::CoordinateType
double CoordinateType
Coordinate type (of the position)
Definition: Peak2D.h:64
OpenMS::DataProcessing::NamesOfProcessingAction
static const std::string NamesOfProcessingAction[SIZE_OF_PROCESSINGACTION]
Names of inlet types.
Definition: DataProcessing.h:83
OpenMS::MarkerMower::getProductName
static const String getProductName()
Definition: MarkerMower.h:111
OpenMS::DefaultParamHandler
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:91
OpenMS::TransformationDescription::fitModel
void fitModel(const String &model_type, const Param &params=Param())
Fits a model to the data.
OpenMS::IdXMLFile::load
void load(const String &filename, std::vector< ProteinIdentification > &protein_ids, std::vector< PeptideIdentification > &peptide_ids)
Loads the identifications of an idXML file without identifier.
OpenMS::Peak2D::MZ
Mass-to-charge dimension id (1 if used as a const int)
Definition: Peak2D.h:76
OpenMS::Int
int Int
Signed integer type.
Definition: Types.h:102
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::MSExperiment::Iterator
std::vector< SpectrumType >::iterator Iterator
Mutable iterator.
Definition: MSExperiment.h:111
OpenMS::FeatureMap::updateRanges
void updateRanges() override
Updates minimum and maximum position/intensity.
OpenMS::String::number
static String number(double d, UInt n)
returns a string for d with exactly n decimal places
OpenMS::FileTypes::FEATUREXML
OpenMS feature file (.featureXML)
Definition: FileTypes.h:65
OpenMS::Math::SummaryStatistics::variance
double variance
Definition: StatisticFunctions.h:686
OpenMS::ProgressLogger
Base class for all classes that want to report their progress.
Definition: ProgressLogger.h:54
OpenMS::MetaInfoInterface::setMetaValue
void setMetaValue(const String &name, const DataValue &value)
Sets the DataValue corresponding to a name.
ProgressLogger.h
OpenMS::MzMLFile::load
void load(const String &filename, PeakMap &map)
Loads a map from a MzML file. Spectra and chromatograms are sorted by default (this can be disabled u...
OpenMS::Math::SummaryStatistics::max
T::value_type max
Definition: StatisticFunctions.h:687
OpenMS::File::copyDirRecursively
static bool copyDirRecursively(const QString &from_dir, const QString &to_dir, File::CopyOptions option=CopyOptions::OVERWRITE)
int
OpenMS::Peak2D::IntensityType
float IntensityType
Intensity type.
Definition: Peak2D.h:62
OpenMS::FileHandler
Facilitates file handling by file type recognition.
Definition: FileHandler.h:62
OpenMS::RangeManager::getMaxInt
double getMaxInt() const
Returns the maximum intensity.
Definition: RangeManager.h:129
OpenMS::FileHandler::loadExperiment
bool loadExperiment(const String &filename, MSExperiment &exp, FileTypes::Type force_type=FileTypes::UNKNOWN, ProgressLogger::LogType log=ProgressLogger::NONE, const bool rewrite_source_file=true, const bool compute_hash=true)
Loads a file into an MSExperiment.
OpenMS::FeatureXMLFile::load
void load(const String &filename, FeatureMap &feature_map)
loads the file with name filename into map and calls updateRanges().
FeatureMap.h
OpenMS::FileTypes::Type
Type
Actual file types enum.
Definition: FileTypes.h:58
OpenMS::MarkerMower
MarkerMower uses PeakMarker to find peaks, those that are not marked get removed.
Definition: MarkerMower.h:54
OpenMS::FileHandler::getType
static FileTypes::Type getType(const String &filename)
Tries to determine the file type (by name or content)
OpenMS::Math::SummaryStatistics::lowerq
double lowerq
Definition: StatisticFunctions.h:686
OpenMS::String::toQString
QString toQString() const
Conversion to Qt QString.
CsvFile.h
OpenMS::operator<<
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
OpenMS::ConsensusMap
A container for consensus elements.
Definition: ConsensusMap.h:79
OpenMS::StringList
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
OpenMS::ConsensusXMLFile::load
void load(const String &filename, ConsensusMap &map)
Loads a consensus map from file and calls updateRanges.
Iterator
OpenMS::CsvFile
This class handles csv files. Currently only loading is implemented.
Definition: CsvFile.h:49
main
int main(int argc, const char **argv)
Definition: INIFileEditor.cpp:73
MSExperiment.h
OpenMS::ConsensusMap::getColumnHeaders
const ColumnHeaders & getColumnHeaders() const
Non-mutable access to the file descriptions.
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
OpenMS::TransformationXMLFile::load
void load(const String &filename, TransformationDescription &transformation, bool fit_model=true)
Loads the transformation from an TransformationXML file.
OpenMS::FeatureMap
A container for features.
Definition: FeatureMap.h:95
OpenMS::PeptideIdentification
Represents the peptide hits for a spectrum.
Definition: PeptideIdentification.h:62
OpenMS::TransformationXMLFile
Used to load and store TransformationXML files.
Definition: TransformationXMLFile.h:56
OpenMS::ConsensusMap::getDataProcessing
const std::vector< DataProcessing > & getDataProcessing() const
returns a const reference to the description of the applied data processing
OpenMS::RangeManager::getMinInt
double getMinInt() const
Returns the minimum intensity.
Definition: RangeManager.h:123
OpenMS::MSExperiment::end
Iterator end()
Definition: MSExperiment.h:167
OpenMS::FeatureMap::sortByRT
void sortByRT()
Sort features by RT position.
OpenMS::MarkerMower::filterSpectrum
void filterSpectrum(SpectrumType &spectrum)
Definition: MarkerMower.h:76
OpenMS::FeatureXMLFile
This class provides Input/Output functionality for feature maps.
Definition: FeatureXMLFile.h:68
OpenMS::TOPPBase::ExitCodes
ExitCodes
Exit codes.
Definition: TOPPBase.h:149
OpenMS::FileTypes::nameToType
static Type nameToType(const String &name)
Converts a file type name into a Type.
OpenMS::MSExperiment::updateRanges
void updateRanges() override
Updates minimum and maximum position/intensity.
OpenMS::Peak2D::RT
Retention time dimension id (0 if used as a const int)
Definition: Peak2D.h:75
MapAlignerBase.h
OpenMS::Param
Management and storage of parameters / INI files.
Definition: Param.h:73
OpenMS::MarkerMower::markers_
std::vector< PeakMarker * > markers_
used peak markers
Definition: MarkerMower.h:125
OpenMS::TransformationXMLFile::store
void store(String filename, const TransformationDescription &transformation)
Stores the data in an TransformationXML file.
OpenMS::MSSpectrum::Iterator
ContainerType::iterator Iterator
Mutable iterator.
Definition: MSSpectrum.h:102
OpenMS::FileHandler::storeExperiment
void storeExperiment(const String &filename, const MSExperiment &exp, ProgressLogger::LogType log=ProgressLogger::NONE)
Stores an MSExperiment to a file.
OpenMS::Map
Map class based on the STL map (containing several convenience functions)
Definition: Map.h:50
OPENMS_LOG_INFO
#define OPENMS_LOG_INFO
Macro if a information, e.g. a status should be reported.
Definition: LogStream.h:465
OpenMS::Math::SummaryStatistics::upperq
double upperq
Definition: StatisticFunctions.h:686
OpenMS::BaseFeature::QualityType
float QualityType
Type of quality values.
Definition: BaseFeature.h:63
OpenMS::PeakMarker
PeakMarker marks peaks that seem to fulfill some criterion.
Definition: PeakMarker.h:47
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
OpenMS::FeatureMap::getDataProcessing
const std::vector< DataProcessing > & getDataProcessing() const
returns a const reference to the description of the applied data processing
OpenMS::ProteinIdentification::SearchParameters
Search parameters of the DB search.
Definition: ProteinIdentification.h:221
OpenMS::TransformationDescription
Generic description of a coordinate transformation.
Definition: TransformationDescription.h:61
StandardTypes.h
File.h
OpenMS::ProgressLogger::setLogType
void setLogType(LogType type) const
Sets the progress log that should be used. The default type is NONE!
TOPPBase.h
OpenMS::RangeManager::getMin
const PositionType & getMin() const
Returns the minimum position.
Definition: RangeManager.h:111
MSSpectrum.h
OpenMS::Math::SummaryStatistics::min
T::value_type min
Definition: StatisticFunctions.h:687
OpenMS::ConsensusXMLFile
This class provides Input functionality for ConsensusMaps and Output functionality for alignments and...
Definition: ConsensusXMLFile.h:61
OpenMS::IdXMLFile
Used to load and store idXML files.
Definition: IdXMLFile.h:63
OpenMS::FileTypes::typeToName
static String typeToName(Type type)
Returns the name/extension of the type.
OpenMS::ConsensusMap::ColumnHeaders
std::map< UInt64, ColumnHeader > ColumnHeaders
Definition: ConsensusMap.h:158
OpenMS::PeptideHit
Representation of a peptide hit.
Definition: PeptideHit.h:54
StringListUtils.h