11#include <OpenMS/config.h>
25 class PeakFileOptions;
30 class TargetedExperiment;
178 const bool compute_hash =
false);
368 std::vector<ProteinIdentification>& prot_ids,
371 const String& contact_name =
"",
372 const String& contact_address =
"",
373 const String& description =
"",
374 const String& label =
"label",
375 const bool remove_duplicate_features =
false,
376 const std::vector<FileTypes::Type> allowed_types = {});
A container for consensus elements.
Definition ConsensusMap.h:68
Options for loading files containing features.
Definition FeatureFileOptions.h:21
A container for features.
Definition FeatureMap.h:82
Facilitates file handling by file type recognition.
Definition FileHandler.h:46
static String swapExtension(const String &filename, const FileTypes::Type new_type)
Tries to find and remove a known file extension, and append the new one.
static bool isSupported(FileTypes::Type type)
Returns if the file type is supported in this build of the library.
void loadConsensusFeatures(const String &filename, ConsensusMap &map, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Loads a file into a ConsensusMap.
void loadSpectrum(const String &filename, MSSpectrum &spec, const std::vector< FileTypes::Type > allowed_types={})
Loads a single MSSpectrum from a file.
void storeFeatures(const String &filename, const FeatureMap &map, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Store a FeatureMap.
void setOptions(const PeakFileOptions &)
set options for loading/storing
const FeatureFileOptions & getFeatOptions() const
Non-mutable access to the feature file options for loading/storing.
const PeakFileOptions & getOptions() const
Non-mutable access to the options for loading/storing.
void storeTransformations(const String &filename, const TransformationDescription &map, const std::vector< FileTypes::Type > allowed_types={})
Store Transformations.
static String computeFileHash(const String &filename)
Computes a SHA-1 hash value for the content of the given file.
void storeSpectrum(const String &filename, MSSpectrum &spec, const std::vector< FileTypes::Type > allowed_types={})
Stores a single MSSpectrum to a file.
static bool hasValidExtension(const String &filename, const FileTypes::Type type)
Check if filename has the extension type.
static FileTypes::Type getTypeByContent(const String &filename)
Determines the file type of a file by parsing the first few lines.
PeakFileOptions options_
Definition FileHandler.h:386
void storeExperiment(const String &filename, const PeakMap &exp, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Stores an MSExperiment to a file.
static FileTypes::Type getType(const String &filename)
Tries to determine the file type (by name or content)
static FileTypes::Type getTypeByFileName(const String &filename)
Try to get the file type from the filename.
void storeIdentifications(const String &filename, const std::vector< ProteinIdentification > &additional_proteins, const PeptideIdentificationList &additional_peptides, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Stores proteins and peptides into an Identification File.
FeatureFileOptions & getFeatOptions()
Mutable access to the feature file options for loading/storing.
static FileTypes::Type getConsistentOutputfileType(const String &output_filename, const String &requested_type)
Useful function for TOPP tools which have an 'out_type' parameter and want to know what output format...
PeakFileOptions & getOptions()
Mutable access to the options for loading/storing.
void loadTransformations(const String &filename, TransformationDescription &map, bool fit_model=true, const std::vector< FileTypes::Type > allowed_types={})
Loads a file into Transformations.
static String stripExtension(const String &filename)
If filename contains an extension, it will be removed (including the '.'). Special extensions,...
void storeQC(const String &input_file, const String &filename, const MSExperiment &exp, const FeatureMap &feature_map, std::vector< ProteinIdentification > &prot_ids, PeptideIdentificationList &pep_ids, const ConsensusMap &consensus_map=ConsensusMap(), const String &contact_name="", const String &contact_address="", const String &description="", const String &label="label", const bool remove_duplicate_features=false, const std::vector< FileTypes::Type > allowed_types={})
Store QC info.
void storeConsensusFeatures(const String &filename, const ConsensusMap &map, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Store a ConsensusFeatureMap.
void storeTransitions(const String &filename, const TargetedExperiment &library, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Store transitions of a spectral library.
void loadExperiment(const String &filename, PeakMap &exp, const std::vector< FileTypes::Type > allowed_types=std::vector< FileTypes::Type >(), ProgressLogger::LogType log=ProgressLogger::NONE, const bool rewrite_source_file=false, const bool compute_hash=false)
Loads a file into an MSExperiment.
void loadIdentifications(const String &filename, std::vector< ProteinIdentification > &additional_proteins, PeptideIdentificationList &additional_peptides, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Loads an identification file into a proteinIdentifications and peptideIdentifications.
void loadFeatures(const String &filename, FeatureMap &map, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Loads a file into a FeatureMap.
void setFeatOptions(const FeatureFileOptions &)
set feature file options for loading/storing
FeatureFileOptions f_options_
Definition FileHandler.h:387
void loadTransitions(const String &filename, TargetedExperiment &library, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Load transitions of a spectral library.
In-Memory representation of a mass spectrometry run.
Definition MSExperiment.h:49
The representation of a 1D spectrum.
Definition MSSpectrum.h:44
Options for loading files containing peak data.
Definition PeakFileOptions.h:22
Container for peptide identifications from multiple spectra.
Definition PeptideIdentificationList.h:66
LogType
Possible log types.
Definition ProgressLogger.h:43
A more convenient string class.
Definition String.h:34
A description of a targeted experiment containing precursor and production ions.
Definition TargetedExperiment.h:39
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
Type
Actual file types enum.
Definition FileTypes.h:31