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OpenMS
2.5.0
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37 #include <OpenMS/config.h>
63 typedef std::vector< std::pair<std::string, std::streampos> >
OffsetVector;
107 std::streampos findIndexListOffset(
String filename,
int buffersize = 1023);
OpenMS identification format (.idXML)
Definition: FileTypes.h:66
Base class for TOPP applications.
Definition: TOPPBase.h:144
void removeAll(const String &prefix)
Remove all entries that start with prefix.
Param copy(const String &prefix, bool remove_prefix=false) const
Returns a new Param object containing all entries that start with prefix.
void getMassRanges(const FeatureMap &features, const PeakMap &experiment, std::vector< std::vector< std::pair< Size, Size > > > &indices)
Calculates the mass ranges for each feature and stores them as indices of the raw data.
Invalid UInt exception.
Definition: Exception.h:303
void sortSpectra(bool sort_mz=true)
Sorts the data points by retention time.
This class serves for reading in and writing FASTA files.
Definition: FASTAFile.h:64
std::vector< std::pair< std::string, std::streampos > > OffsetVector
The vector containing binary offsets.
Definition: IndexedMzMLDecoder.h:63
File adapter for MzML files.
Definition: MzMLFile.h:55
A more convenient string class.
Definition: String.h:58
Iterator begin()
Definition: MSExperiment.h:157
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
const DataValue & getValue(const String &key) const
Returns a value of a parameter.
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< Int > IntList
Vector of signed integers.
Definition: ListUtils.h:55
Size size() const
Definition: MSExperiment.h:127
void load(const String &filename, std::vector< ProteinIdentification > &protein_ids, std::vector< PeptideIdentification > &peptide_ids)
Loads the identifications of an idXML file without identifier.
static bool exists(const String &file)
Method used to test if a file exists.
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS feature file (.featureXML)
Definition: FileTypes.h:65
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...
Facilitates file handling by file type recognition.
Definition: FileHandler.h:62
void createProteinSequenceBasedLPInclusionList(String include, String rt_model_file, String pt_model_file, FeatureMap &precursors)
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
Unable to create file exception.
Definition: Exception.h:636
static FileTypes::Type getType(const String &filename)
Tries to determine the file type (by name or content)
void setParameters(const Param ¶m)
Sets the parameters.
Provides functionality for writing inclusion or exclusion lists.
Definition: InclusionExclusionList.h:52
const Param & getParameters() const
Non-mutable access to the parameters.
void store(const String &filename, const FeatureMap &feature_map)
stores the map feature_map in file with name filename.
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
int main(int argc, const char **argv)
Definition: INIFileEditor.cpp:73
A container for features.
Definition: FeatureMap.h:95
Implements different algorithms for precursor ion selection.
Definition: OfflinePrecursorIonSelection.h:61
void remove(const String &key)
Remove the entry key or a section key (when suffix is ':')
static void load(const String &filename, std::vector< FASTAEntry > &data)
loads a FASTA file given by 'filename' and stores the information in 'data'
Iterator end()
Definition: MSExperiment.h:167
const std::vector< MSSpectrum > & getSpectra() const
returns the spectrum list
This class provides Input/Output functionality for feature maps.
Definition: FeatureXMLFile.h:68
void writeTargets(const std::vector< FASTAFile::FASTAEntry > &fasta_entries, const String &out_path, const IntList &charges, const String rt_model_path)
Writes inclusion or exclusion list of tryptic peptides of the given proteins (tab-delimited).
Management and storage of parameters / INI files.
Definition: Param.h:73
A description of a targeted experiment containing precursor and production ions.
Definition: TargetedExperiment.h:64
A class to analyze indexedmzML files and extract the offsets of individual tags.
Definition: IndexedMzMLDecoder.h:58
void insert(const String &prefix, const Param ¶m)
Predicate that determines if a spectrum lies inside/outside a specific MS level set.
Definition: RangeUtils.h:170
Used to load and store idXML files.
Definition: IdXMLFile.h:63