Representation of a digestion enzyme for proteins (protease) More...

#include <OpenMS/CHEMISTRY/DigestionEnzymeProtein.h>

Inheritance diagram for DigestionEnzymeProtein:

Public Member Functions
Constructors
	DigestionEnzymeProtein ()
	default constructor More...

	DigestionEnzymeProtein (const DigestionEnzymeProtein &enzyme)
	copy constructor More...

	DigestionEnzymeProtein (const String &name, const String &cleavage_regex, const std::set< String > &synonyms=std::set< String >(), String regex_description="", EmpiricalFormula n_term_gain=EmpiricalFormula("H"), EmpiricalFormula c_term_gain=EmpiricalFormula("OH"), String psi_id="", String xtandem_id="", Int comet_id=-1, String crux_id="", Int msgf_id=-1, Int omssa_id=-1)
	detailed constructor More...

	~DigestionEnzymeProtein () override
	destructor More...

Assignment
DigestionEnzymeProtein &	operator= (const DigestionEnzymeProtein &enzyme)
	assignment operator More...

void	setNTermGain (EmpiricalFormula value)
	sets the N-terminal gain More...

EmpiricalFormula	getNTermGain () const
	returns N-terminal gain More...

void	setCTermGain (EmpiricalFormula value)
	sets the C-terminal gain More...

EmpiricalFormula	getCTermGain () const
	returns C-terminal gain More...

void	setPSIID (String value)
	sets the PSI ID More...

String	getPSIID () const
	returns the PSI ID More...

void	setXTandemID (String value)
	sets the X! Tandem enzyme ID More...

String	getXTandemID () const
	returns the X! Tandem enzyme ID More...

Int	getCometID () const
	returns the Comet enzyme ID More...

void	setCometID (Int value)
	sets the Comet enzyme ID More...

String	getCruxID () const
	returns the Crux enzyme ID More...

void	setCruxID (const String &value)
	sets the Crux enzyme ID More...

void	setMSGFID (Int value)
	sets the MSGFPlus enzyme id More...

Int	getMSGFID () const
	returns the MSGFPlus enzyme id More...

void	setOMSSAID (Int value)
	sets the OMSSA enzyme ID More...

Int	getOMSSAID () const
	returns the OMSSA enzyme ID More...

Public Member Functions inherited from DigestionEnzyme
	DigestionEnzyme (const DigestionEnzyme &enzyme)
	copy constructor More...

	DigestionEnzyme (const String &name, const String &cleavage_regex, const std::set< String > &synonyms=std::set< String >(), String regex_description="")
	detailed constructor More...

virtual	~DigestionEnzyme ()
	destructor More...

DigestionEnzyme &	operator= (const DigestionEnzyme &enzyme)
	assignment operator More...

void	setName (const String &name)
	sets the name of the enzyme More...

String	getName () const
	returns the name of the enzyme More...

void	setSynonyms (const std::set< String > &synonyms)
	sets the synonyms More...

void	addSynonym (const String &synonym)
	adds a synonym More...

const std::set< String > &	getSynonyms () const
	returns the synonyms More...

void	setRegEx (const String &cleavage_regex)
	sets the cleavage regex More...

String	getRegEx () const
	returns the cleavage regex More...

void	setRegExDescription (const String &value)
	sets the regex description More...

String	getRegExDescription () const
	returns the regex description More...

bool	operator== (const DigestionEnzyme &enzyme) const
	equality operator More...

bool	operator!= (const DigestionEnzyme &enzyme) const
	inequality operator More...

bool	operator== (const String &cleavage_regex) const
	equality operator for regex More...

bool	operator!= (const String &cleavage_regex) const
	equality operator for regex More...

bool	operator< (const DigestionEnzyme &enzyme) const
	order operator More...

Predicates
EmpiricalFormula	n_term_gain_

EmpiricalFormula	c_term_gain_

String	psi_id_

String	xtandem_id_

Int	comet_id_

String	crux_id_

Int	msgf_id_

Int	omssa_id_

bool	operator== (const DigestionEnzymeProtein &enzyme) const
	equality operator More...

bool	operator!= (const DigestionEnzymeProtein &enzyme) const
	inequality operator More...

bool	operator== (String cleavage_regex) const
	equality operator for regex More...

bool	operator!= (String cleavage_regex) const
	equality operator for regex More...

bool	operator< (const DigestionEnzymeProtein &enzyme) const
	order operator More...

bool	setValueFromFile (const String &key, const String &value) override
	Set the value of a member variable based on an entry from an input file. More...

std::ostream &	operator<< (std::ostream &os, const DigestionEnzymeProtein &enzyme)
	ostream iterator to write the enzyme to a stream More...

Additional Inherited Members
Protected Member Functions inherited from DigestionEnzyme
	DigestionEnzyme ()
	default constructor More...

Protected Attributes inherited from DigestionEnzyme
String	name_

String	cleavage_regex_

std::set< String >	synonyms_

String	regex_description_

Detailed Description

Representation of a digestion enzyme for proteins (protease)

Constructor & Destructor Documentation

◆ DigestionEnzymeProtein() [1/3]

DigestionEnzymeProtein ( )

default constructor

◆ DigestionEnzymeProtein() [2/3]

DigestionEnzymeProtein ( const DigestionEnzymeProtein & enzyme )

copy constructor

◆ DigestionEnzymeProtein() [3/3]

DigestionEnzymeProtein	(	const String &	name,
		const String &	cleavage_regex,
		const std::set< String > &	synonyms = `std::set< String >()`,
		String	regex_description = `""`,
		EmpiricalFormula	n_term_gain = `EmpiricalFormula("H")`,
		EmpiricalFormula	c_term_gain = `EmpiricalFormula("OH")`,
		String	psi_id = `""`,
		String	xtandem_id = `""`,
		Int	comet_id = `-1`,
		String	crux_id = `""`,
		Int	msgf_id = `-1`,
		Int	omssa_id = `-1`
	)

explicit

detailed constructor

◆ ~DigestionEnzymeProtein()

~DigestionEnzymeProtein ( )

override

destructor

Member Function Documentation

◆ getCometID()

Int getCometID ( ) const

returns the Comet enzyme ID

◆ getCruxID()

String getCruxID ( ) const

returns the Crux enzyme ID

◆ getCTermGain()

EmpiricalFormula getCTermGain ( ) const

returns C-terminal gain

◆ getMSGFID()

Int getMSGFID ( ) const

returns the MSGFPlus enzyme id

◆ getNTermGain()

EmpiricalFormula getNTermGain ( ) const

returns N-terminal gain

◆ getOMSSAID()

Int getOMSSAID ( ) const

returns the OMSSA enzyme ID

◆ getPSIID()

String getPSIID ( ) const

returns the PSI ID

◆ getXTandemID()

String getXTandemID ( ) const

returns the X! Tandem enzyme ID

◆ operator!=() [1/2]

bool operator!= ( const DigestionEnzymeProtein & enzyme ) const

inequality operator

◆ operator!=() [2/2]

bool operator!= ( String cleavage_regex ) const

equality operator for regex

◆ operator<()

bool operator< ( const DigestionEnzymeProtein & enzyme ) const

order operator

◆ operator=()

DigestionEnzymeProtein& operator= ( const DigestionEnzymeProtein & enzyme )

assignment operator

◆ operator==() [1/2]

bool operator== ( const DigestionEnzymeProtein & enzyme ) const

equality operator

◆ operator==() [2/2]

bool operator== ( String cleavage_regex ) const

equality operator for regex

◆ setCometID()

void setCometID ( Int value )

sets the Comet enzyme ID

◆ setCruxID()

void setCruxID ( const String & value )

sets the Crux enzyme ID

◆ setCTermGain()

void setCTermGain ( EmpiricalFormula value )

sets the C-terminal gain

◆ setMSGFID()

void setMSGFID ( Int value )

sets the MSGFPlus enzyme id

◆ setNTermGain()

void setNTermGain ( EmpiricalFormula value )

sets the N-terminal gain

Accessors

◆ setOMSSAID()

void setOMSSAID ( Int value )

sets the OMSSA enzyme ID

◆ setPSIID()

void setPSIID ( String value )

sets the PSI ID

◆ setValueFromFile()

bool setValueFromFile	(	const String &	key,
		const String &	value
	)

overridevirtual

Set the value of a member variable based on an entry from an input file.

Returns whether the key was recognized and the value set successfully.

Reimplemented from DigestionEnzyme.

◆ setXTandemID()

void setXTandemID ( String value )

sets the X! Tandem enzyme ID

Friends And Related Function Documentation

◆ operator<<

std::ostream& operator<<	(	std::ostream &	os,
		const DigestionEnzymeProtein &	enzyme
	)

friend

ostream iterator to write the enzyme to a stream

Member Data Documentation

◆ c_term_gain_

EmpiricalFormula c_term_gain_

protected

◆ comet_id_

Int comet_id_

protected

◆ crux_id_

String crux_id_

protected

◆ msgf_id_

Int msgf_id_

protected

◆ n_term_gain_

EmpiricalFormula n_term_gain_

protected

◆ omssa_id_

Int omssa_id_

protected

◆ psi_id_

String psi_id_

protected

◆ xtandem_id_

String xtandem_id_

protected

Public Member Functions

Predicates

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ DigestionEnzymeProtein() [1/3]

◆ DigestionEnzymeProtein() [2/3]

◆ DigestionEnzymeProtein() [3/3]

◆ ~DigestionEnzymeProtein()

Member Function Documentation

◆ getCometID()

◆ getCruxID()

◆ getCTermGain()

◆ getMSGFID()

◆ getNTermGain()

◆ getOMSSAID()

◆ getPSIID()

◆ getXTandemID()

◆ operator!=() [1/2]

◆ operator!=() [2/2]

◆ operator<()

◆ operator=()

◆ operator==() [1/2]

◆ operator==() [2/2]

◆ setCometID()

◆ setCruxID()

◆ setCTermGain()

◆ setMSGFID()

◆ setNTermGain()

◆ setOMSSAID()

◆ setPSIID()

◆ setValueFromFile()

◆ setXTandemID()

Friends And Related Function Documentation

◆ operator<<

Member Data Documentation

◆ c_term_gain_

◆ comet_id_

◆ crux_id_

◆ msgf_id_

◆ n_term_gain_

◆ omssa_id_

◆ psi_id_

◆ xtandem_id_