11 #include <OpenMS/config.h>
24 class PeakFileOptions;
29 class TargetedExperiment;
172 const bool compute_hash =
false);
362 std::vector<ProteinIdentification>& prot_ids,
363 std::vector<PeptideIdentification>& pep_ids,
365 const String& contact_name =
"",
366 const String& contact_address =
"",
367 const String& description =
"",
368 const String& label =
"label",
369 const bool remove_duplicate_features =
false,
370 const std::vector<FileTypes::Type> allowed_types = {});
A container for consensus elements.
Definition: ConsensusMap.h:66
Options for loading files containing features.
Definition: FeatureFileOptions.h:21
A container for features.
Definition: FeatureMap.h:80
Facilitates file handling by file type recognition.
Definition: FileHandler.h:45
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.
FeatureFileOptions & getFeatOptions()
Mutable access to the feature file options for loading/storing.
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
void storeIdentifications(const String &filename, const std::vector< ProteinIdentification > &additional_proteins, const std::vector< PeptideIdentification > &additional_peptides, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Stores proteins and peptides into an Identification File.
void loadIdentifications(const String &filename, std::vector< ProteinIdentification > &additional_proteins, std::vector< PeptideIdentification > &additional_peptides, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Loads an identification file into a proteinIdentifications and peptideIdentifications.
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.
const PeakFileOptions & getOptions() const
Non-mutable access to the options for loading/storing.
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:380
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.
PeakFileOptions & getOptions()
Mutable access to the options for loading/storing.
const FeatureFileOptions & getFeatOptions() const
Non-mutable access to the feature file options for loading/storing.
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.
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...
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 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 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 storeQC(const String &input_file, const String &filename, const MSExperiment &exp, const FeatureMap &feature_map, std::vector< ProteinIdentification > &prot_ids, std::vector< PeptideIdentification > &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 setFeatOptions(const FeatureFileOptions &)
set feature file options for loading/storing
FeatureFileOptions f_options_
Definition: FileHandler.h:381
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:46
The representation of a 1D spectrum.
Definition: MSSpectrum.h:44
Options for loading files containing peak data.
Definition: PeakFileOptions.h:22
LogType
Possible log types.
Definition: ProgressLogger.h:43
@ NONE
No progress logging.
Definition: ProgressLogger.h:46
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