TraMLProduct Struct Reference

Represents a product ion. More...

#include <OpenMS/ANALYSIS/TARGETED/TargetedExperimentHelper.h>

Inheritance diagram for TraMLProduct:

Collaboration diagram for TraMLProduct:

Public Member Functions
	TraMLProduct ()=default
bool	operator== (const TraMLProduct &rhs) const
void	setChargeState (int charge)
bool	hasCharge () const
	Whether product has set charge state. More...
int	getChargeState () const
double	getMZ () const
void	setMZ (double mz)
const std::vector< Configuration > &	getConfigurationList () const
void	addConfiguration (const Configuration &configuration)
const std::vector< Interpretation > &	getInterpretationList () const
void	addInterpretation (const Interpretation &interpretation)
void	resetInterpretations ()
Public Member Functions inherited from CVTermListInterface
	CVTermListInterface ()
	CVTermListInterface (const CVTermListInterface &rhs)
	Copy constructor. More...
	CVTermListInterface (CVTermListInterface &&) noexcept
	Move constructor. More...
	~CVTermListInterface ()
CVTermListInterface &	operator= (const CVTermListInterface &rhs)
	Assignment operator. More...
CVTermListInterface &	operator= (CVTermListInterface &&) noexcept
	Move assignment operator. More...
bool	operator== (const CVTermListInterface &rhs) const
	equality operator More...
bool	operator!= (const CVTermListInterface &rhs) const
	inequality operator More...
void	replaceCVTerms (Map< String, std::vector< CVTerm > > &cv_terms)
void	setCVTerms (const std::vector< CVTerm > &terms)
	sets the CV terms More...
void	replaceCVTerm (const CVTerm &cv_term)
	replaces the specified CV term More...
void	replaceCVTerms (const std::vector< CVTerm > &cv_terms, const String &accession)
	replaces the specified CV terms using the given accession number More...
void	replaceCVTerms (const Map< String, std::vector< CVTerm > > &cv_term_map)
	replaces all cv terms with a map (can be obtained via getCVTerms) More...
void	consumeCVTerms (const Map< String, std::vector< CVTerm > > &cv_term_map)
	merges the given map into the member map, no duplicate checking More...
const Map< String, std::vector< CVTerm > > &	getCVTerms () const
	returns the accession string of the term More...
void	addCVTerm (const CVTerm &term)
	adds a CV term More...
bool	hasCVTerm (const String &accession) const
	checks whether the term has a value More...
bool	empty () const
Public Member Functions inherited from MetaInfoInterface
	MetaInfoInterface ()
	Constructor. More...
	MetaInfoInterface (const MetaInfoInterface &rhs)
	Copy constructor. More...
	MetaInfoInterface (MetaInfoInterface &&) noexcept
	Move constructor. More...
	~MetaInfoInterface ()
	Destructor. More...
MetaInfoInterface &	operator= (const MetaInfoInterface &rhs)
	Assignment operator. More...
MetaInfoInterface &	operator= (MetaInfoInterface &&) noexcept
	Move assignment operator. More...
bool	operator== (const MetaInfoInterface &rhs) const
	Equality operator. More...
bool	operator!= (const MetaInfoInterface &rhs) const
	Equality operator. More...
const DataValue &	getMetaValue (const String &name, const DataValue &default_value=DataValue::EMPTY) const
	Returns the value corresponding to a string, or a default value (default: DataValue::EMPTY) if not found. More...
const DataValue &	getMetaValue (UInt index, const DataValue &default_value=DataValue::EMPTY) const
	Returns the value corresponding to an index, or a default value (default: DataValue::EMPTY) if not found. More...
bool	metaValueExists (const String &name) const
	Returns whether an entry with the given name exists. More...
bool	metaValueExists (UInt index) const
	Returns whether an entry with the given index exists. More...
void	setMetaValue (const String &name, const DataValue &value)
	Sets the DataValue corresponding to a name. More...
void	setMetaValue (UInt index, const DataValue &value)
	Sets the DataValue corresponding to an index. More...
void	removeMetaValue (const String &name)
	Removes the DataValue corresponding to name if it exists. More...
void	removeMetaValue (UInt index)
	Removes the DataValue corresponding to index if it exists. More...
void	addMetaValues (const MetaInfoInterface &from)
	function to copy all meta values from one object to this one More...
void	getKeys (std::vector< String > &keys) const
	Fills the given vector with a list of all keys for which a value is set. More...
void	getKeys (std::vector< UInt > &keys) const
	Fills the given vector with a list of all keys for which a value is set. More...
bool	isMetaEmpty () const
	Returns if the MetaInfo is empty. More...
void	clearMetaInfo ()
	Removes all meta values. More...

Private Attributes
int	charge_ {0}
	Product ion charge. More...
bool	charge_set_ {false}
	Whether product ion charge is set or not. More...
double	mz_ {0}
	Product ion m/z. More...
std::vector< Configuration >	configuration_list_
	Product ion configurations used. More...
std::vector< Interpretation >	interpretation_list_
	Product ion interpretation. More...

Additional Inherited Members
Static Public Member Functions inherited from MetaInfoInterface
static MetaInfoRegistry &	metaRegistry ()
	Returns a reference to the MetaInfoRegistry. More...
Protected Member Functions inherited from MetaInfoInterface
void	createIfNotExists_ ()
	Creates the MetaInfo object if it does not exist. More...
Protected Attributes inherited from MetaInfoInterface
MetaInfo *	meta_
	Pointer to the MetaInfo object (0 by default) More...

Detailed Description

Represents a product ion.

A product ion entry in the TraML file format

Constructor & Destructor Documentation

TraMLProduct()

TraMLProduct ( )

default

Member Function Documentation

addConfiguration()

void addConfiguration ( const Configuration &  configuration )

inline

addInterpretation()

void addInterpretation ( const Interpretation &  interpretation )

inline

getChargeState()

int getChargeState ( ) const

inline

References OPENMS_PRECONDITION.

getConfigurationList()

const std::vector<Configuration>& getConfigurationList ( ) const

inline

getInterpretationList()

const std::vector<Interpretation>& getInterpretationList ( ) const

inline

getMZ()

double getMZ ( ) const

inline

hasCharge()

bool hasCharge ( ) const

inline

Whether product has set charge state.

operator==()

bool operator== ( const TraMLProduct &  rhs ) const

inline

References TraMLProduct::charge_, TraMLProduct::charge_set_, TraMLProduct::configuration_list_, TraMLProduct::interpretation_list_, TraMLProduct::mz_, and CVTermListInterface::operator==().

resetInterpretations()

void resetInterpretations ( )

inline

setChargeState()

void setChargeState ( int  charge )

inline

setMZ()

void setMZ ( double  mz )

inline

Member Data Documentation

charge_

int charge_ {0}

private

Product ion charge.

Referenced by TraMLProduct::operator==().

charge_set_

bool charge_set_ {false}

private

Whether product ion charge is set or not.

Referenced by TraMLProduct::operator==().

configuration_list_

std::vector<Configuration> configuration_list_

private

Product ion configurations used.

Referenced by TraMLProduct::operator==().

interpretation_list_

std::vector<Interpretation> interpretation_list_

private

Product ion interpretation.

Referenced by TraMLProduct::operator==().

mz_

double mz_ {0}

private

Product ion m/z.

Referenced by TraMLProduct::operator==().