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| MSDataWritingConsumer (String filename) |
| Constructor. More...
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| ~MSDataWritingConsumer () override |
| Destructor. More...
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virtual void | addDataProcessing (DataProcessing d) |
| Optionally add a data processing method to each chromatogram and spectrum. More...
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virtual Size | getNrSpectraWritten () |
| Return the number of spectra written. More...
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virtual Size | getNrChromatogramsWritten () |
| Return the number of chromatograms written. More...
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void | setExperimentalSettings (const ExperimentalSettings &exp) override |
| Set experimental settings for the whole file. More...
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void | setExpectedSize (Size expectedSpectra, Size expectedChromatograms) override |
| Set expected size of spectra and chromatograms to be written. More...
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void | consumeSpectrum (SpectrumType &s) override |
| Consume a spectrum. More...
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void | consumeChromatogram (ChromatogramType &c) override |
| Consume a chromatogram. More...
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Public Member Functions inherited from MzMLHandler |
void | getCounts (Size &spectra_counts, Size &chromatogram_counts) |
| Get the spectra and chromatogram counts of a file. More...
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void | setMSDataConsumer (Interfaces::IMSDataConsumer *consumer) |
| Set the IMSDataConsumer consumer which will consume the read data. More...
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virtual LOADDETAIL | getLoadDetail () const override |
| handler which support partial loading, implement this method More...
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virtual void | setLoadDetail (const LOADDETAIL d) override |
| handler which support partial loading, implement this method More...
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| MzMLHandler (MapType &exp, const String &filename, const String &version, const ProgressLogger &logger) |
| Constructor for a read-only handler. More...
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| MzMLHandler (const MapType &exp, const String &filename, const String &version, const ProgressLogger &logger) |
| Constructor for a write-only handler. More...
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| ~MzMLHandler () override |
| Destructor. More...
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void | endElement (const XMLCh *const, const XMLCh *const, const XMLCh *const qname) override |
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void | startElement (const XMLCh *const, const XMLCh *const, const XMLCh *const qname, const xercesc::Attributes &attributes) override |
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void | characters (const XMLCh *const chars, const XMLSize_t length) override |
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void | writeTo (std::ostream &os) override |
| Writes the contents to a stream. More...
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void | setOptions (const PeakFileOptions &opt) |
| Set the peak file options. More...
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PeakFileOptions & | getOptions () |
| Get the peak file options. More...
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Public Member Functions inherited from XMLHandler |
| XMLHandler (const String &filename, const String &version) |
| Default constructor. More...
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| ~XMLHandler () override |
| Destructor. More...
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void | reset () |
| Release internal memory used for parsing (call. More...
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void | fatalError (ActionMode mode, const String &msg, UInt line=0, UInt column=0) const |
| Fatal error handler. Throws a ParseError exception. More...
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void | error (ActionMode mode, const String &msg, UInt line=0, UInt column=0) const |
| Error handler for recoverable errors. More...
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void | warning (ActionMode mode, const String &msg, UInt line=0, UInt column=0) const |
| Warning handler. More...
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void | characters (const XMLCh *const chars, const XMLSize_t length) override |
| Parsing method for character data. More...
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void | startElement (const XMLCh *const uri, const XMLCh *const localname, const XMLCh *const qname, const xercesc::Attributes &attrs) override |
| Parsing method for opening tags. More...
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void | endElement (const XMLCh *const uri, const XMLCh *const localname, const XMLCh *const qname) override |
| Parsing method for closing tags. More...
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String | errorString () |
| Returns the last error description. More...
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void | fatalError (const xercesc::SAXParseException &exception) override |
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void | error (const xercesc::SAXParseException &exception) override |
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void | warning (const xercesc::SAXParseException &exception) override |
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virtual | ~IMSDataConsumer () |
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std::ofstream | ofs_ |
| File stream (to write mzML) More...
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bool | started_writing_ |
| Stores whether we have already started writing any data. More...
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bool | writing_spectra_ |
| Stores whether we are currently writing spectra. More...
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bool | writing_chromatograms_ |
| Stores whether we are currently writing chromatograms. More...
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Size | spectra_written_ |
| Number of spectra written. More...
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Size | chromatograms_written_ |
| Number of chromatograms written. More...
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Size | spectra_expected_ |
| Number of spectra expected. More...
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Size | chromatograms_expected_ |
| Number of chromatograms expected. More...
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bool | add_dataprocessing_ |
| Whether to add dataprocessing term to the data before writing. More...
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Internal::MzMLValidator * | validator_ |
| Validator that knows about CV terms. More...
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ExperimentalSettings | settings_ |
| Experimental settings to use for the whole file. More...
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std::vector< std::vector< ConstDataProcessingPtr > > | dps_ |
| Vector of data processing objects -> will be filled by writeHeader_. More...
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DataProcessingPtr | additional_dataprocessing_ |
| The dataprocessing to be added to each spectrum/chromatogram. More...
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Protected Attributes inherited from MzMLHandler |
MapType * | exp_ { nullptr } |
| map pointer for reading More...
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const MapType * | cexp_ { nullptr } |
| map pointer for writing More...
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PeakFileOptions | options_ |
| Options that can be set for loading/storing. More...
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const ProgressLogger & | logger_ |
| Progress logger. More...
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Interfaces::IMSDataConsumer * | consumer_ { nullptr } |
| Consumer class to work on spectra. More...
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UInt | scan_count_ { 0 } |
| Counting spectra and chromatograms. More...
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UInt | chromatogram_count_ { 0 } |
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Int | scan_count_total_ { -1 } |
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Int | chrom_count_total_ { -1 } |
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ControlledVocabulary | cv_ |
| Controlled vocabulary (psi-ms from OpenMS/share/OpenMS/CV/psi-ms.obo) More...
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CVMappings | mapping_ |
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UInt | selected_ion_count_ { 0 } |
| Count of selected ions. More...
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SpectrumType | spec_ |
| The current spectrum. More...
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ChromatogramType | chromatogram_ |
| The current chromatogram. More...
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std::vector< BinaryData > | bin_data_ |
| The spectrum data (or chromatogram data) More...
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Size | default_array_length_ |
| The default number of peaks in the current spectrum. More...
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bool | in_spectrum_list_ { false } |
| Flag that indicates that we're inside a spectrum (in contrast to a chromatogram) More...
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bool | skip_spectrum_ { false } |
| Flag that indicates whether this spectrum should be skipped (e.g. due to options) More...
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bool | skip_chromatogram_ { false } |
| Flag that indicates whether this chromatogram should be skipped (e.g. due to options) More...
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bool | rt_set_ { false } |
| Remember whether the RT of the spectrum was set or not. More...
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String | current_id_ |
| Id of the current list. Used for referencing param group, source file, sample, software, ... More...
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Map< String, std::vector< SemanticValidator::CVTerm > > | ref_param_ |
| The referencing param groups: id => array (accession, value) More...
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Map< String, SourceFile > | source_files_ |
| The source files: id => SourceFile. More...
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Map< String, Sample > | samples_ |
| The sample list: id => Sample. More...
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Map< String, Software > | software_ |
| The software list: id => Software. More...
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Map< String, Instrument > | instruments_ |
| The data processing list: id => Instrument. More...
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Map< String, std::vector< DataProcessingPtr > > | processing_ |
| The data processing list: id => Instrument. More...
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String | default_processing_ |
| id of the default data processing (used when no processing is defined) More...
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std::vector< SpectrumData > | spectrum_data_ |
| Vector of spectrum data stored for later parallel processing. More...
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std::vector< ChromatogramData > | chromatogram_data_ |
| Vector of chromatogram data stored for later parallel processing. More...
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std::vector< std::pair< std::string, long > > | spectra_offsets_ |
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std::vector< std::pair< std::string, long > > | chromatograms_offsets_ |
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Protected Attributes inherited from XMLHandler |
String | error_message_ |
| Error message of the last error. More...
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String | file_ |
| File name. More...
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String | version_ |
| Schema version. More...
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StringManager | sm_ |
| Helper class for string conversion. More...
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std::vector< String > | open_tags_ |
| Stack of open XML tags. More...
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LOADDETAIL | load_detail_ |
| parse only until total number of scans and chroms have been determined from attributes More...
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std::vector< std::vector< String > > | cv_terms_ |
| Array of CV term lists (one sublist denotes one term and it's children) More...
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Static Public Member Functions inherited from XMLHandler |
static String | writeXMLEscape (const String &to_escape) |
| Escapes a string and returns the escaped string. More...
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Protected Types inherited from MzMLHandler |
typedef MapType::PeakType | PeakType |
| Peak type. More...
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typedef MapType::ChromatogramPeakType | ChromatogramPeakType |
| Chromatogram peak type. More...
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typedef MSSpectrum | SpectrumType |
| Spectrum type. More...
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typedef MSChromatogram | ChromatogramType |
| Spectrum type. More...
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typedef MzMLHandlerHelper::BinaryData | BinaryData |
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Protected Member Functions inherited from MzMLHandler |
| MzMLHandler (const String &filename, const String &version, const ProgressLogger &logger) |
| delegated constructor for the two public versions More...
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void | writeSpectrum_ (std::ostream &os, const SpectrumType &spec, Size s, Internal::MzMLValidator &validator, bool renew_native_ids, std::vector< std::vector< ConstDataProcessingPtr > > &dps) |
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void | writeChromatogram_ (std::ostream &os, const ChromatogramType &chromatogram, Size c, Internal::MzMLValidator &validator) |
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template<typename ContainerT > |
void | writeContainerData_ (std::ostream &os, const PeakFileOptions &pf_options_, const ContainerT &container, String array_type) |
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void | populateSpectraWithData_ () |
| Populate all spectra on the stack with data from input. More...
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void | populateChromatogramsWithData_ () |
| Populate all chromatograms on the stack with data from input. More...
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void | addSpectrumMetaData_ (const std::vector< MzMLHandlerHelper::BinaryData > &input_data, const Size n, SpectrumType &spectrum) const |
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void | populateSpectraWithData_ (std::vector< MzMLHandlerHelper::BinaryData > &input_data, Size &default_arr_length, const PeakFileOptions &peak_file_options, SpectrumType &spectrum) |
| Fill a single spectrum with data from input. More...
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void | populateChromatogramsWithData_ (std::vector< MzMLHandlerHelper::BinaryData > &input_data, Size &default_arr_length, const PeakFileOptions &peak_file_options, ChromatogramType &inp_chromatogram) |
| Fill a single chromatogram with data from input. More...
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template<typename DataType > |
void | writeBinaryDataArray_ (std::ostream &os, const PeakFileOptions &pf_options_, std::vector< DataType > data_to_encode, bool is32bit, String array_type) |
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void | writeHeader_ (std::ostream &os, const MapType &exp, std::vector< std::vector< ConstDataProcessingPtr > > &dps, Internal::MzMLValidator &validator) |
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void | fillChromatogramData_ () |
| Fills the current chromatogram with data points and meta data. More...
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void | handleCVParam_ (const String &parent_parent_tag, const String &parent_tag, const String &accession, const String &name, const String &value, const String &unit_accession="") |
| Handles CV terms. More...
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void | handleUserParam_ (const String &parent_parent_tag, const String &parent_tag, const String &name, const String &type, const String &value) |
| Handles user terms. More...
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void | writeUserParam_ (std::ostream &os, const MetaInfoInterface &meta, UInt indent, String path, Internal::MzMLValidator &validator) const |
| Writes user terms. More...
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ControlledVocabulary::CVTerm | getChildWithName_ (const String &parent_accession, const String &name) const |
| Looks up a child CV term of parent_accession with the name name . If no such term is found, an empty term is returned. More...
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void | writeSoftware_ (std::ostream &os, const String &id, const Software &software, Internal::MzMLValidator &validator) |
| Helper method that writes a software. More...
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void | writeSourceFile_ (std::ostream &os, const String &id, const SourceFile &software, Internal::MzMLValidator &validator) |
| Helper method that writes a source file. More...
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void | writeDataProcessing_ (std::ostream &os, const String &id, const std::vector< ConstDataProcessingPtr > &dps, Internal::MzMLValidator &validator) |
| Helper method that writes a data processing list. More...
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void | writePrecursor_ (std::ostream &os, const Precursor &precursor, Internal::MzMLValidator &validator) |
| Helper method that write precursor information from spectra and chromatograms. More...
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void | writeProduct_ (std::ostream &os, const Product &product, Internal::MzMLValidator &validator) |
| Helper method that write precursor information from spectra and chromatograms. More...
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String | writeCV_ (const ControlledVocabulary::CVTerm &c, const DataValue &metaValue) const |
| Helper method to write an CV based on a meta value. More...
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bool | validateCV_ (const ControlledVocabulary::CVTerm &c, const String &path, const Internal::MzMLValidator &validator) const |
| Helper method to validate if the given CV is allowed in the current location (path) More...
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Protected Member Functions inherited from XMLHandler |
bool | equal_ (const XMLCh *a, const XMLCh *b) const |
| Returns if two Xerces strings are equal. More...
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void | writeUserParam_ (const String &tag_name, std::ostream &os, const MetaInfoInterface &meta, UInt indent) const |
| Writes the content of MetaInfoInterface to the file. More...
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Int | asInt_ (const String &in) |
| Conversion of a String to an integer value. More...
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Int | asInt_ (const XMLCh *in) |
| Conversion of a Xerces string to an integer value. More...
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UInt | asUInt_ (const String &in) |
| Conversion of a String to an unsigned integer value. More...
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double | asDouble_ (const String &in) |
| Conversion of a String to a double value. More...
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float | asFloat_ (const String &in) |
| Conversion of a String to a float value. More...
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bool | asBool_ (const String &in) |
| Conversion of a string to a boolean value. More...
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DateTime | asDateTime_ (String date_string) |
| Conversion of a xs:datetime string to a DateTime value. More...
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String | attributeAsString_ (const xercesc::Attributes &a, const char *name) const |
| Converts an attribute to a String. More...
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Int | attributeAsInt_ (const xercesc::Attributes &a, const char *name) const |
| Converts an attribute to a Int. More...
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double | attributeAsDouble_ (const xercesc::Attributes &a, const char *name) const |
| Converts an attribute to a double. More...
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DoubleList | attributeAsDoubleList_ (const xercesc::Attributes &a, const char *name) const |
| Converts an attribute to a DoubleList. More...
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IntList | attributeAsIntList_ (const xercesc::Attributes &a, const char *name) const |
| Converts an attribute to an IntList. More...
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StringList | attributeAsStringList_ (const xercesc::Attributes &a, const char *name) const |
| Converts an attribute to an StringList. More...
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bool | optionalAttributeAsString_ (String &value, const xercesc::Attributes &a, const char *name) const |
| Assigns the attribute content to the String value if the attribute is present. More...
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bool | optionalAttributeAsInt_ (Int &value, const xercesc::Attributes &a, const char *name) const |
| Assigns the attribute content to the Int value if the attribute is present. More...
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bool | optionalAttributeAsUInt_ (UInt &value, const xercesc::Attributes &a, const char *name) const |
| Assigns the attribute content to the UInt value if the attribute is present. More...
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bool | optionalAttributeAsDouble_ (double &value, const xercesc::Attributes &a, const char *name) const |
| Assigns the attribute content to the double value if the attribute is present. More...
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bool | optionalAttributeAsDoubleList_ (DoubleList &value, const xercesc::Attributes &a, const char *name) const |
| Assigns the attribute content to the DoubleList value if the attribute is present. More...
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bool | optionalAttributeAsStringList_ (StringList &value, const xercesc::Attributes &a, const char *name) const |
| Assigns the attribute content to the StringList value if the attribute is present. More...
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bool | optionalAttributeAsIntList_ (IntList &value, const xercesc::Attributes &a, const char *name) const |
| Assigns the attribute content to the IntList value if the attribute is present. More...
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String | attributeAsString_ (const xercesc::Attributes &a, const XMLCh *name) const |
| Converts an attribute to a String. More...
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Int | attributeAsInt_ (const xercesc::Attributes &a, const XMLCh *name) const |
| Converts an attribute to a Int. More...
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double | attributeAsDouble_ (const xercesc::Attributes &a, const XMLCh *name) const |
| Converts an attribute to a double. More...
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DoubleList | attributeAsDoubleList_ (const xercesc::Attributes &a, const XMLCh *name) const |
| Converts an attribute to a DoubleList. More...
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IntList | attributeAsIntList_ (const xercesc::Attributes &a, const XMLCh *name) const |
| Converts an attribute to a IntList. More...
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StringList | attributeAsStringList_ (const xercesc::Attributes &a, const XMLCh *name) const |
| Converts an attribute to a StringList. More...
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bool | optionalAttributeAsString_ (String &value, const xercesc::Attributes &a, const XMLCh *name) const |
| Assigns the attribute content to the String value if the attribute is present. More...
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bool | optionalAttributeAsInt_ (Int &value, const xercesc::Attributes &a, const XMLCh *name) const |
| Assigns the attribute content to the Int value if the attribute is present. More...
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bool | optionalAttributeAsUInt_ (UInt &value, const xercesc::Attributes &a, const XMLCh *name) const |
| Assigns the attribute content to the UInt value if the attribute is present. More...
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bool | optionalAttributeAsDouble_ (double &value, const xercesc::Attributes &a, const XMLCh *name) const |
| Assigns the attribute content to the double value if the attribute is present. More...
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bool | optionalAttributeAsDoubleList_ (DoubleList &value, const xercesc::Attributes &a, const XMLCh *name) const |
| Assigns the attribute content to the DoubleList value if the attribute is present. More...
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bool | optionalAttributeAsIntList_ (IntList &value, const xercesc::Attributes &a, const XMLCh *name) const |
| Assigns the attribute content to the IntList value if the attribute is present. More...
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bool | optionalAttributeAsStringList_ (StringList &value, const xercesc::Attributes &a, const XMLCh *name) const |
| Assigns the attribute content to the StringList value if the attribute is present. More...
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SignedSize | cvStringToEnum_ (const Size section, const String &term, const char *message, const SignedSize result_on_error=0) |
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Consumer class that writes MS data to disk using the mzML format.
The MSDataWritingConsumer is able to write spectra and chromatograms to disk on the fly (as soon as they are consumed). This class is abstract and allows the derived class to define how spectra and chromatograms are processed before being written to disk.
If you are looking for class that simply takes spectra and chromatograms and writes them to disk, please use the PlainMSDataWritingConsumer.
Example usage:
consumer->setExpectedSize(specsize, chromsize);
consumer->setExperimentalSettings(exp_settings);
consumer->addDataProcessing(dp);
[...]
consumer->consumeSpectrum(spec);
consumer->consumeChromatogram(chrom);
[...]
delete consumer;
- Note
- The first usage of consumeChromatogram or consumeSpectrum will start writing of the mzML header to disk (and the first element).
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Currently it is not possible to add spectra after having already added chromatograms since this could lead to a situation with multiple spectrumList tags appear in an mzML file.
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The expected size will not be enforced but it will lead to an inconsistent mzML if the count attribute of spectrumList or chromatogramList is incorrect.