#include <OpenMS/METADATA/Precursor.h>

Inheritance diagram for Precursor:

Public Types
enum	ActivationMethod { CID, PSD, PD, SID, BIRD, ECD, IMD, SORI, HCID, LCID, PHD, ETD, PQD, SIZE_OF_ACTIVATIONMETHOD }
	Method of activation. More...
Public Member Functions
	Precursor ()
	Constructor.
	Precursor (const Precursor &source)
	Copy constructor.
virtual	~Precursor ()
	Destructor.
Precursor &	operator= (const Precursor &source)
	Assignment operator.
bool	operator== (const Precursor &rhs) const
	Equality operator.
bool	operator!= (const Precursor &rhs) const
	Equality operator.
const std::set < ActivationMethod > &	getActivationMethods () const
	returns a const reference to the activation methods
std::set< ActivationMethod > &	getActivationMethods ()
	returns a mutable reference to the activation methods
void	setActivationMethods (const std::set< ActivationMethod > &activation_methods)
	sets the activation methods
DoubleReal	getActivationEnergy () const
	returns the activation energy (in electronvolt)
void	setActivationEnergy (DoubleReal activation_energy)
	sets the activation energy (in electronvolt)
DoubleReal	getIsolationWindowLowerOffset () const
	returns the lower offset from the target m/z
void	setIsolationWindowLowerOffset (DoubleReal bound)
	sets the lower offset from the target m/z
DoubleReal	getIsolationWindowUpperOffset () const
	returns the upper offset from the target m/z
void	setIsolationWindowUpperOffset (DoubleReal bound)
	sets the upper offset from the target m/z
Int	getCharge () const
	Non-mutable access to the charge.
void	setCharge (Int charge)
	Mutable access to the charge.
std::vector< Int > &	getPossibleChargeStates ()
	Mutable access to possible charge states.
const std::vector< Int > &	getPossibleChargeStates () const
	Non-mutable access to possible charge states.
void	setPossibleChargeStates (const std::vector< Int > &possible_charge_states)
	Sets the possible charge states.
DoubleReal	getUnchargedMass () const
	Returns the uncharged mass of the precursor, if charge is unknown, i.e. 0 best guess is its doubly charged.
Static Public Attributes
static const std::string	NamesOfActivationMethod [SIZE_OF_ACTIVATIONMETHOD]
	Names of activation methods.
Protected Attributes
std::set< ActivationMethod >	activation_methods_
DoubleReal	activation_energy_
DoubleReal	window_low_
DoubleReal	window_up_
Int	charge_
std::vector< Int >	possible_charge_states_

Detailed Description

Precursor meta information.

This class contains precursor information:

isolation window
activation
selected ion (m/z, intensity, charge, possible charge states)

Member Enumeration Documentation

enum ActivationMethod

Method of activation.

Enumerator:

CID	Collision-induced dissociation.
PSD	Post-source decay.
PD	Plasma desorption.
SID	Surface-induced dissociation.
BIRD	Blackbody infrared radiative dissociation.
ECD	Electron capture dissociation.
IMD	Infrared multiphoton dissociation.
SORI	Sustained off-resonance irradiation.
HCID	High-energy collision-induced dissociation.
LCID	Low-energy collision-induced dissociation.
PHD	Photodissociation.
ETD	Electron transfer dissociation.
PQD	Pulsed q dissociation.
SIZE_OF_ACTIVATIONMETHOD