Used to load XTandemXML files. More...

#include <OpenMS/FORMAT/XTandemXMLFile.h>

Inheritance diagram for XTandemXMLFile:

Collaboration diagram for XTandemXMLFile:

Public Member Functions
	XTandemXMLFile ()
	Default constructor.

	~XTandemXMLFile () override
	Destructor.

void	load (const std::string &filename, ProteinIdentification &protein_identification, PeptideIdentificationList &id_data, ModificationDefinitionsSet &mod_def_set)
	loads data from an X! Tandem XML file

Public Member Functions inherited from XMLFile
	XMLFile ()
	Construct an XMLFile without schema info; `schema_location_` remains unset, so isValid cannot be used until derived-class logic initializes `schema_location_` before calling isValid.

	XMLFile (const std::string &schema_location, const std::string &version)
	Construct with a schema location for later isValid calls.

virtual	~XMLFile ()
	Virtual destructor — defaulted; allows safe deletion through a base-class pointer.

bool	isValid (const std::string &filename, std::ostream &os)
	Check if `filename` validates against the bound XML schema.

const std::string &	getVersion () const
	Return the schema version string passed to the parameterised constructor; empty for default-constructed instances.

Protected Member Functions
void	startElement (const XMLCh const, const XMLCh const, const XMLCh *const qname, const xercesc::Attributes &attributes) override

void	endElement (const XMLCh const, const XMLCh const, const XMLCh *const qname) override

void	characters (const XMLCh *const chars, const XMLSize_t) override

	XTandemXMLFile (const XTandemXMLFile &rhs)

XTandemXMLFile &	operator= (const XTandemXMLFile &rhs)

Protected Member Functions inherited from XMLHandler
void	writeUserParam_ (const std::string &tag_name, std::ostream &os, const MetaInfoInterface &meta, UInt indent) const
	Writes the content of MetaInfoInterface to the file.

Int	asInt_ (const std::string &in) const
	Conversion of a std::string to an integer value.

Int	asInt_ (const XMLCh *in) const
	Conversion of a Xerces string to an integer value.

UInt	asUInt_ (const std::string &in) const
	Conversion of a std::string to an unsigned integer value.

double	asDouble_ (const std::string &in) const
	Conversion of a std::string to a double value.

float	asFloat_ (const std::string &in) const
	Conversion of a std::string to a float value.

bool	asBool_ (const std::string &in) const
	Conversion of a string to a boolean value.

DateTime	asDateTime_ (std::string date_string) const
	Conversion of a xs:datetime string to a DateTime value.

bool	equal_ (const XMLCh a, const XMLCh b) const
	Returns if two Xerces strings are equal.

SignedSize	cvStringToEnum_ (const Size section, const std::string &term, const char *message, const SignedSize result_on_error=0)

std::string	attributeAsString_ (const xercesc::Attributes &a, const char *name) const
	Converts an attribute to a String.

Int	attributeAsInt_ (const xercesc::Attributes &a, const char *name) const
	Converts an attribute to a Int.

double	attributeAsDouble_ (const xercesc::Attributes &a, const char *name) const
	Converts an attribute to a double.

DoubleList	attributeAsDoubleList_ (const xercesc::Attributes &a, const char *name) const
	Converts an attribute to a DoubleList.

IntList	attributeAsIntList_ (const xercesc::Attributes &a, const char *name) const
	Converts an attribute to an IntList.

StringList	attributeAsStringList_ (const xercesc::Attributes &a, const char *name) const
	Converts an attribute to an StringList.

bool	optionalAttributeAsString_ (std::string &value, const xercesc::Attributes &a, const char *name) const
	Assigns the attribute content to the String value if the attribute is present.

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.

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.

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.

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.

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.

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.

std::string	attributeAsString_ (const xercesc::Attributes &a, const XMLCh *name) const
	Converts an attribute to a String.

Int	attributeAsInt_ (const xercesc::Attributes &a, const XMLCh *name) const
	Converts an attribute to a Int.

double	attributeAsDouble_ (const xercesc::Attributes &a, const XMLCh *name) const
	Converts an attribute to a double.

DoubleList	attributeAsDoubleList_ (const xercesc::Attributes &a, const XMLCh *name) const
	Converts an attribute to a DoubleList.

IntList	attributeAsIntList_ (const xercesc::Attributes &a, const XMLCh *name) const
	Converts an attribute to a IntList.

StringList	attributeAsStringList_ (const xercesc::Attributes &a, const XMLCh *name) const
	Converts an attribute to a StringList.

bool	optionalAttributeAsString_ (std::string &value, const xercesc::Attributes &a, const XMLCh *name) const
	Assigns the attribute content to the String value if the attribute is present.

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.

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.

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.

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.

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.

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.

	XMLHandler (const std::string &filename, const std::string &version)
	Default constructor.

	~XMLHandler () override
	Destructor.

void	reset ()
	Release internal memory used for parsing (call.

void	fatalError (const xercesc::SAXParseException &exception) override

void	error (const xercesc::SAXParseException &exception) override

void	warning (const xercesc::SAXParseException &exception) override

void	fatalError (ActionMode mode, const std::string &msg, UInt line=0, UInt column=0) const
	Fatal error handler. Throws a ParseError exception.

void	error (ActionMode mode, const std::string &msg, UInt line=0, UInt column=0) const
	Error handler for recoverable errors.

void	warning (ActionMode mode, const std::string &msg, UInt line=0, UInt column=0) const
	Warning handler.

void	characters (const XMLCh *const chars, const XMLSize_t length) override
	Parsing method for character data.

void	startElement (const XMLCh const uri, const XMLCh const localname, const XMLCh *const qname, const xercesc::Attributes &attrs) override
	Parsing method for opening tags.

void	endElement (const XMLCh const uri, const XMLCh const localname, const XMLCh *const qname) override
	Parsing method for closing tags.

virtual void	writeTo (std::ostream &)
	Writes the contents to a stream.

virtual LOADDETAIL	getLoadDetail () const
	handler which support partial loading, implement this method

virtual void	setLoadDetail (const LOADDETAIL d)
	handler which support partial loading, implement this method

DataValue	cvParamToValue (const ControlledVocabulary &cv, const std::string &parent_tag, const std::string &accession, const std::string &name, const std::string &value, const std::string &unit_accession) const
	Convert the value of a <cvParam value=.> (as commonly found in PSI schemata) to the DataValue with the correct type (e.g. int) according to the type stored in the CV (usually PSI-MS CV), as well as set its unit.

DataValue	cvParamToValue (const ControlledVocabulary &cv, const CVTerm &raw_term) const
	Convert the value of a <cvParam value=.> (as commonly found in PSI schemata) to the DataValue with the correct type (e.g. int) according to the type stored in the CV (usually PSI-MS CV), as well as set its unit.

void	checkUniqueIdentifiers_ (const std::vector< ProteinIdentification > &prot_ids) const

Protected Member Functions inherited from XMLFile
void	parse_ (const std::string &filename, XMLHandler *handler)
	Parse the XML file at `filename` through `handler`.

void	parseBuffer_ (const std::string &buffer, XMLHandler *handler)
	Parse an in-memory XML buffer through `handler`.

void	save_ (const std::string &filename, XMLHandler *handler) const
	Stores the contents of the XML handler given by `handler` in the file given by `filename`.

void	enforceEncoding_ (const std::string &encoding)
	Set or clear the XML-encoding override applied to subsequent parse_ / parseBuffer_ calls.

	XMLFile ()
	Construct an XMLFile without schema info; `schema_location_` remains unset, so isValid cannot be used until derived-class logic initializes `schema_location_` before calling isValid.

	XMLFile (const std::string &schema_location, const std::string &version)
	Construct with a schema location for later isValid calls.

virtual	~XMLFile ()
	Virtual destructor — defaulted; allows safe deletion through a base-class pointer.

bool	isValid (const std::string &filename, std::ostream &os)
	Check if `filename` validates against the bound XML schema.

const std::string &	getVersion () const
	Return the schema version string passed to the parameterised constructor; empty for default-constructed instances.

Private Types
enum class	GroupType { MODEL , PARAMETERS , SUPPORT }

Private Attributes
ProteinIdentification *	protein_identification_

bool	is_protein_note_

bool	is_spectrum_note_

bool	skip_protein_acc_update_

std::map< UInt, std::vector< PeptideHit > >	peptide_hits_

std::vector< ProteinHit >	protein_hits_

std::set< UInt >	protein_uids_

std::string	current_protein_

Int	current_charge_

UInt	current_id_

std::string	tag_

UInt	current_start_

UInt	current_stop_

std::string	previous_seq_

std::map< UInt, std::string >	spectrum_ids_

ModificationDefinitionsSet	mod_def_set_

ModificationDefinitionsSet	default_nterm_mods_

std::stack< GroupType >	group_type_stack_

Additional Inherited Members
Protected Types inherited from XMLHandler
enum	ActionMode { LOAD , STORE }
	Action to set the current mode (for error messages) More...

enum	LOADDETAIL { LD_ALLDATA , LD_RAWCOUNTS , LD_COUNTS_WITHOPTIONS }

Static Protected Member Functions inherited from XMLHandler
static std::string	writeXMLEscape (const std::string &to_escape)
	Escapes a string and returns the escaped string.

static DataValue	fromXSDString (const std::string &type, const std::string &value)
	Convert an XSD type (e.g. 'xsd:double') to a DataValue.

Protected Attributes inherited from XMLHandler
std::string	file_
	File name.

std::string	version_
	Schema version.

StringManager	sm_
	Helper class for string conversion.

std::vector< std::string >	open_tags_
	Stack of open XML tags.

LOADDETAIL	load_detail_
	parse only until total number of scans and chroms have been determined from attributes

std::vector< std::vector< std::string > >	cv_terms_
	Array of CV term lists (one sublist denotes one term and it's children)

Protected Attributes inherited from XMLFile
std::string	schema_location_
	Path of the XML schema for validation; empty when the default constructor was used (isValid then throws `NotImplemented`).

std::string	schema_version_
	Schema version string returned by getVersion.

std::string	enforced_encoding_
	Optional XML encoding override applied to the `InputSource` in parse_ and parseBuffer_; empty disables the override. Used as a workaround for XTandem output XML which carries an encoding the parser otherwise stumbles on.

Detailed Description

Used to load XTandemXML files.

This class is used to load documents that implement the schema of XTandemXML files.

Member Enumeration Documentation

◆ GroupType

enum class GroupType

strongprivate

Enumerator
MODEL
PARAMETERS
SUPPORT

Constructor & Destructor Documentation

◆ XTandemXMLFile() [1/2]

XTandemXMLFile ( )

Default constructor.

◆ ~XTandemXMLFile()

~XTandemXMLFile ( )

override

Destructor.

◆ XTandemXMLFile() [2/2]

XTandemXMLFile ( const XTandemXMLFile & rhs )

protected

Member Function Documentation

◆ characters()

void characters	(	const XMLCh *const	chars,
		const XMLSize_t
	)

overrideprotected

◆ endElement()

void endElement	(	const XMLCh * const	,
		const XMLCh * const	,
		const XMLCh *const	qname
	)

overrideprotected

◆ operator=()

XTandemXMLFile & operator= ( const XTandemXMLFile & rhs )

protected

◆ startElement()

void startElement	(	const XMLCh * const	,
		const XMLCh * const	,
		const XMLCh *const	qname,
		const xercesc::Attributes &	attributes
	)

overrideprotected

Member Data Documentation

◆ current_charge_

Int current_charge_

private

◆ current_id_

UInt current_id_

private

◆ current_protein_

std::string current_protein_

private

◆ current_start_

UInt current_start_

private

◆ current_stop_

UInt current_stop_

private

◆ default_nterm_mods_

ModificationDefinitionsSet default_nterm_mods_

private

◆ group_type_stack_

std::stack<GroupType> group_type_stack_

private

◆ is_protein_note_

bool is_protein_note_

private

◆ is_spectrum_note_

bool is_spectrum_note_

private

◆ mod_def_set_

ModificationDefinitionsSet mod_def_set_

private

◆ peptide_hits_

std::map<UInt, std::vector<PeptideHit> > peptide_hits_

private

◆ previous_seq_

std::string previous_seq_

private

◆ protein_hits_

std::vector<ProteinHit> protein_hits_

private

◆ protein_identification_

ProteinIdentification* protein_identification_

private

◆ protein_uids_

std::set<UInt> protein_uids_

private

◆ skip_protein_acc_update_

bool skip_protein_acc_update_

private

◆ spectrum_ids_

std::map<UInt, std::string> spectrum_ids_

private

◆ tag_

std::string tag_

private

Public Member Functions

Protected Member Functions

Private Types

Private Attributes

Additional Inherited Members

Detailed Description

Member Enumeration Documentation

◆ GroupType

Constructor & Destructor Documentation

◆ XTandemXMLFile() [1/2]

◆ ~XTandemXMLFile()

◆ XTandemXMLFile() [2/2]

Member Function Documentation

◆ characters()

◆ endElement()

◆ operator=()

◆ startElement()

Member Data Documentation

◆ current_charge_

◆ current_id_

◆ current_protein_

◆ current_start_

◆ current_stop_

◆ default_nterm_mods_

◆ group_type_stack_

◆ is_protein_note_

◆ is_spectrum_note_

◆ mod_def_set_

◆ peptide_hits_

◆ previous_seq_

◆ protein_hits_

◆ protein_identification_

◆ protein_uids_

◆ skip_protein_acc_update_

◆ spectrum_ids_

◆ tag_