13#include <OpenMS/config.h>
23 class TransformationDescription;
24 class PeakFileOptions;
27 class MSImagingExperiment;
30 class TargetedExperiment;
31 class ProteinIdentification;
32 class PeptideIdentificationList;
191 void loadExperiment(
const std::string& filename,
PeakMap& exp,
const std::vector<FileTypes::Type> allowed_types = std::vector<FileTypes::Type>(),
193 const bool compute_hash =
false);
226 const std::vector<FileTypes::Type> allowed_types = std::vector<FileTypes::Type>(),
228 const bool compute_hash =
false);
248 const std::vector<FileTypes::Type> allowed_types = std::vector<FileTypes::Type>(),
461 const std::string& filename,
464 std::vector<ProteinIdentification>& prot_ids,
466 const std::string& contact_name =
"",
467 const std::string& contact_address =
"",
468 const std::string& description =
"",
469 const std::string& label =
"label",
470 const std::vector<FileTypes::Type> allowed_types = {});
A container for consensus elements.
Definition ConsensusMap.h:67
Options for loading files containing features.
Definition FeatureFileOptions.h:35
A container for features.
Definition FeatureMap.h:78
Facilitates file handling by file type recognition.
Definition FileHandler.h:52
static bool isSupported(FileTypes::Type type)
Returns if the file type is supported in this build of the library.
void applyPostLoadOptions_(MSExperiment &exp) const
Applies the current PeakFileOptions filters to an already-loaded experiment.
void transformExperiment(const std::string &filename, Interfaces::IMSDataConsumer *consumer, 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)
Streams a file into a consumer, spectrum by spectrum, without holding the whole experiment in memory.
void setOptions(const PeakFileOptions &)
set options for loading/storing
void storeSpectrum(const std::string &filename, MSSpectrum &spec, const std::vector< FileTypes::Type > allowed_types={})
Stores a single MSSpectrum to a file.
void storeIdentifications(const std::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.
const FeatureFileOptions & getFeatOptions() const
Non-mutable access to the feature file options for loading/storing.
void loadIdentifications(const std::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.
static FileTypes::Type getTypeByContent(const std::string &filename)
Determines the file type of a file by parsing the first few lines.
static FileTypes::Type getTypeByFileName(const std::string &filename)
Try to get the file type from the filename.
const PeakFileOptions & getOptions() const
Non-mutable access to the options for loading/storing.
void loadConsensusFeatures(const std::string &filename, ConsensusMap &map, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Loads a file into a ConsensusMap.
void storeExperiment(const std::string &filename, const PeakMap &exp, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Stores an MSExperiment to a file.
void storeConsensusFeatures(const std::string &filename, const ConsensusMap &map, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Store a ConsensusFeatureMap.
void loadTransformations(const std::string &filename, TransformationDescription &map, bool fit_model=true, const std::vector< FileTypes::Type > allowed_types={})
Loads a file into Transformations.
void storeTransitions(const std::string &filename, const TargetedExperiment &library, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Store transitions of a spectral library.
PeakFileOptions options_
Definition FileHandler.h:494
static bool hasValidExtension(const std::string &filename, const FileTypes::Type type)
Check if filename has the extension type.
static FileTypes::Type getType(const std::string &filename)
Tries to determine the file type (by name or content)
void storeFeatures(const std::string &filename, const FeatureMap &map, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Store a FeatureMap.
FeatureFileOptions & getFeatOptions()
Mutable access to the feature file options for loading/storing.
PeakFileOptions & getOptions()
Mutable access to the options for loading/storing.
void loadImagingExperiment(const std::string &filename, MSImagingExperiment &exp, const std::vector< FileTypes::Type > allowed_types=std::vector< FileTypes::Type >(), ProgressLogger::LogType log=ProgressLogger::NONE)
Loads a mass spectrometry imaging file into an MSImagingExperiment.
static std::string swapExtension(const std::string &filename, const FileTypes::Type new_type)
Tries to find and remove a known file extension, and append the new one.
void storeQC(const std::string &input_file, const std::string &filename, const MSExperiment &exp, const FeatureMap &feature_map, std::vector< ProteinIdentification > &prot_ids, PeptideIdentificationList &pep_ids, const std::string &contact_name="", const std::string &contact_address="", const std::string &description="", const std::string &label="label", const std::vector< FileTypes::Type > allowed_types={})
Store QC info.
void loadSpectrum(const std::string &filename, MSSpectrum &spec, const std::vector< FileTypes::Type > allowed_types={})
Loads a single MSSpectrum from a file.
static std::string stripExtension(const std::string &filename)
If filename contains an extension, it will be removed (including the '.'). Special extensions,...
void setFeatOptions(const FeatureFileOptions &)
set feature file options for loading/storing
void loadTransitions(const std::string &filename, TargetedExperiment &library, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Load transitions of a spectral library.
static std::string computeFileHash(const std::string &filename)
Computes a SHA-1 hash value for the content of the given file.
FeatureFileOptions f_options_
Definition FileHandler.h:495
void loadExperiment(const std::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 std::string &filename, FeatureMap &map, const std::vector< FileTypes::Type > allowed_types={}, ProgressLogger::LogType log=ProgressLogger::NONE)
Loads a file into a FeatureMap.
static FileTypes::Type getConsistentOutputfileType(const std::string &output_filename, const std::string &requested_type)
Useful function for TOPP tools which have an 'out_type' parameter and want to know what output format...
void storeTransformations(const std::string &filename, const TransformationDescription &map, const std::vector< FileTypes::Type > allowed_types={})
Store Transformations.
The interface of a consumer of spectra and chromatograms.
Definition IMSDataConsumer.h:46
In-Memory representation of a mass spectrometry run.
Definition MSExperiment.h:49
In-memory model for a 2D imaging mass spectrometry dataset.
Definition MSImagingExperiment.h:36
The representation of a 1D spectrum.
Definition MSSpectrum.h:45
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:44
A description of a targeted experiment containing precursor and production ions.
Definition TargetedExperiment.h:40
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
Type
Actual file types enum.
Definition FileTypes.h:31