Used to load (storing not supported, yet) ProtXML files. More...

#include <OpenMS/FORMAT/ProtXMLFile.h>

Inheritance diagram for ProtXMLFile:

Public Types
typedef ProteinIdentification::ProteinGroup	ProteinGroup
	A protein group (set of indices into ProteinIdentification) More...

Public Member Functions
	ProtXMLFile ()
	Constructor. More...

void	load (const String &filename, ProteinIdentification &protein_ids, PeptideIdentification &peptide_ids)
	Loads the identifications of an ProtXML file without identifier. More...

void	store (const String &filename, const ProteinIdentification &protein_ids, const PeptideIdentification &peptide_ids, const String &document_id="")
	[not implemented yet!] Stores the data in an ProtXML file More...

Public Member Functions inherited from XMLFile
	XMLFile ()
	Default constructor. More...

	XMLFile (const String &schema_location, const String &version)
	Constructor that sets the schema location. More...

virtual	~XMLFile ()
	Destructor. More...

bool	isValid (const String &filename, std::ostream &os)
	Checks if a file validates against the XML schema. More...

const String &	getVersion () const
	return the version of the schema More...

Protected Member Functions
void	resetMembers_ ()
	reset members after reading/writing More...

virtual void	endElement (const XMLCh const, const XMLCh const, const XMLCh *const qname)
	Docu in base class. More...

virtual void	startElement (const XMLCh const, const XMLCh const, const XMLCh *const qname, const xercesc::Attributes &attributes)
	Docu in base class. More...

void	registerProtein_ (const String &protein_name)
	Creates a new protein entry (if not already present) and appends it to the current group. More...

void	matchModification_ (const double mass, const String &origin, String &modification_description)
	find modification name given a modified AA mass More...

Protected Member Functions inherited from XMLHandler
bool	equal_ (const XMLCh a, const XMLCh b) const
	Returns if two Xerces strings are equal. More...

void	writeUserParam_ (const String &tag_name, std::ostream &os, const MetaInfoInterface &meta, UInt indent) const
	Writes the content of MetaInfoInterface to the file. More...

Int	asInt_ (const String &in)
	Conversion of a String to an integer value. More...

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

UInt	asUInt_ (const String &in)
	Conversion of a String to an unsigned integer value. More...

double	asDouble_ (const String &in)
	Conversion of a String to a double value. More...

float	asFloat_ (const String &in)
	Conversion of a String to a float value. More...

bool	asBool_ (const String &in)
	Conversion of a string to a boolean value. More...

DateTime	asDateTime_ (String date_string)
	Conversion of a xs:datetime string to a DateTime value. More...

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

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

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

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

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

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

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...

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...

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...

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...

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...

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...

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...

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

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

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

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

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

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

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...

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...

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...

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...

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...

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...

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...

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

	XMLHandler (const String &filename, const String &version)
	Default constructor. More...

virtual	~XMLHandler ()
	Destructor. More...

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

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

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

void	warning (ActionMode mode, const String &msg, UInt line=0, UInt column=0) const
	Warning handler. More...

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

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

String	errorString ()
	Returns the last error description. More...

void	fatalError (const xercesc::SAXParseException &exception)

void	error (const xercesc::SAXParseException &exception)

void	warning (const xercesc::SAXParseException &exception)

Protected Member Functions inherited from XMLFile
void	parse_ (const String &filename, XMLHandler *handler)
	Parses the XML file given by `filename` using the handler given by `handler`. More...

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

void	enforceEncoding_ (const String &encoding)

	XMLFile ()
	Default constructor. More...

	XMLFile (const String &schema_location, const String &version)
	Constructor that sets the schema location. More...

virtual	~XMLFile ()
	Destructor. More...

bool	isValid (const String &filename, std::ostream &os)
	Checks if a file validates against the XML schema. More...

const String &	getVersion () const
	return the version of the schema More...

Protected Attributes
members for loading data
ProteinIdentification *	prot_id_
	Pointer to protein identification. More...

PeptideIdentification *	pep_id_
	Pointer to peptide identification. More...

PeptideHit *	pep_hit_
	Temporary peptide hit. More...

ProteinGroup	protein_group_
	protein group More...

Protected Attributes inherited from XMLHandler
String	error_message_
	Error message of the last error. More...

String	file_
	File name. More...

String	version_
	Schema version. More...

StringManager	sm_
	Helper class for string conversion. More...

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

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

Protected Attributes inherited from XMLFile
String	schema_location_
	XML schema file location. More...

String	schema_version_
	Version string. More...

String	enforced_encoding_
	Encoding string that replaces the encoding (system dependent or specified in the XML). Disabled if empty. Used as a workaround for XTandem output xml. More...

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

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

Detailed Description

Used to load (storing not supported, yet) ProtXML files.

This class is used to load (storing not supported, yet) documents that implement the schema of ProtXML files.

A documented schema for this format comes with the TPP.

OpenMS can only read parts of the protein_summary subtree to extract protein-peptide associations. All other parts are silently ignored.

For protein groups, only the "group leader" (which is annotated with a probability and coverage) receives these attributes. All indistinguishable proteins of the same group only have an accession and score of -1.

Note: This format will eventually be replaced by the HUPO-PSI (mzIdentML and mzQuantML) AnalysisXML formats!

Todo:: Document which metavalues of Protein/PeptideHit are filled when reading ProtXML (Chris)

Member Typedef Documentation

◆ ProteinGroup

typedef ProteinIdentification::ProteinGroup ProteinGroup

A protein group (set of indices into ProteinIdentification)

Constructor & Destructor Documentation

◆ ProtXMLFile()

ProtXMLFile ( )

Constructor.

Member Function Documentation

◆ endElement()

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

protectedvirtual

Docu in base class.

Reimplemented from XMLHandler.

◆ load()

void load	(	const String &	filename,
		ProteinIdentification &	protein_ids,
		PeptideIdentification &	peptide_ids
	)

Loads the identifications of an ProtXML file without identifier.

The information is read in and the information is stored in the corresponding variables

Exceptions

Exception::FileNotFound	is thrown if the file could not be opened
Exception::ParseError	is thrown if an error occurs during parsing

◆ matchModification_()

void matchModification_	(	const double	mass,
		const String &	origin,
		String &	modification_description
	)

protected

find modification name given a modified AA mass

Matches a mass of a modified AA to a mod in our modification db For ambiguous mods, the first (arbitrary) is returned If no mod is found an error is issued and the return string is empty

Note: A duplicate of this function is also used in PepXMLFile

Parameters

mass	Modified AA's mass
origin	AA one letter code
modification_description	[out] Name of the modification, e.g. 'Carboxymethyl (C)'

◆ registerProtein_()

void registerProtein_ ( const String & protein_name )

protected

Creates a new protein entry (if not already present) and appends it to the current group.

◆ resetMembers_()

void resetMembers_ ( )

protected

reset members after reading/writing

◆ startElement()

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

protectedvirtual

Docu in base class.

Reimplemented from XMLHandler.

◆ store()

void store	(	const String &	filename,
		const ProteinIdentification &	protein_ids,
		const PeptideIdentification &	peptide_ids,
		const String &	document_id = `""`
	)

[not implemented yet!] Stores the data in an ProtXML file

[not implemented yet!] The data is stored in the file 'filename'.

Exceptions

Exception::UnableToCreateFile is thrown if the file could not be created

Member Data Documentation

◆ pep_hit_

PeptideHit* pep_hit_

protected

Temporary peptide hit.

◆ pep_id_

PeptideIdentification* pep_id_

protected

Pointer to peptide identification.

◆ prot_id_

ProteinIdentification* prot_id_

protected

Pointer to protein identification.

◆ protein_group_

ProteinGroup protein_group_

protected

protein group

Public Types

Public Member Functions

Protected Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Member Typedef Documentation

◆ ProteinGroup

Constructor & Destructor Documentation

◆ ProtXMLFile()

Member Function Documentation

◆ endElement()

◆ load()

◆ matchModification_()

◆ registerProtein_()

◆ resetMembers_()

◆ startElement()

◆ store()

Member Data Documentation

◆ pep_hit_

◆ pep_id_

◆ prot_id_

◆ protein_group_