Adduct Class Reference

#include <OpenMS/DATASTRUCTURES/Adduct.h>

List of all members.

Public Types
typedef std::vector< Adduct >	AdductsType
Public Member Functions
	Adduct ()
	Default C'tor.
	Adduct (Int charge)
	C'tor with initial charge.
	Adduct (Int charge, Int amount, DoubleReal singleMass, String formula, DoubleReal log_prob, DoubleReal rt_shift, const String label="")
	C'tor for all members.
Adduct	operator* (const Int m) const
	Increase amount of this adduct by factor.
Adduct	operator+ (const Adduct &rhs)
	Add two adducts amount if they are equal (defined by equal formula).
void	operator+= (const Adduct &rhs)
	Add other adducts amount to *this (equal formula required!).
Friends
std::ostream &	operator<< (std::ostream &os, const Adduct &a)
	Print the contents of an Adduct to a stream.
bool	operator== (const Adduct &a, const Adduct &b)
	Comparator.
Int	charge_
Int	amount_
DoubleReal	singleMass_
DoubleReal	log_prob_
String	formula_
DoubleReal	rt_shift_
String	label_
const Int &	getCharge () const
void	setCharge (const Int &charge)
const Int &	getAmount () const
void	setAmount (const Int &amount)
const DoubleReal &	getSingleMass () const
void	setSingleMass (const DoubleReal &singleMass)
const DoubleReal &	getLogProb () const
void	setLogProb (const DoubleReal &log_prob)
const String &	getFormula () const
void	setFormula (const String &formula)
const DoubleReal &	getRTShift () const
const String &	getLabel () const
String	checkFormula_ (const String &formula)

---

Member Typedef Documentation

typedef std::vector<Adduct> AdductsType

---

Constructor & Destructor Documentation

Adduct

(

)

Default C'tor.

Adduct

(

Int

charge

)

C'tor with initial charge.

Adduct	(	Int	charge,
		Int	amount,
		DoubleReal	singleMass,
		String	formula,
		DoubleReal	log_prob,
		DoubleReal	rt_shift,
		const String	label = ""
	)

C'tor for all members.

---

Member Function Documentation

String checkFormula_

(

const String &

formula

)

[private]

const Int& getAmount

(

)

const

const Int& getCharge

(

)

const

const String& getFormula

(

)

const

const String& getLabel

(

)

const

const DoubleReal& getLogProb

(

)

const

const DoubleReal& getRTShift

(

)

const

const DoubleReal& getSingleMass

(

)

const

Adduct operator*

(

const Int

m

)

const

Increase amount of this adduct by factor.

Parameters:

m

Adduct operator+

(

const Adduct &

rhs

)

Add two adducts amount if they are equal (defined by equal formula).

void operator+=

(

const Adduct &

rhs

)

Add other adducts amount to *this (equal formula required!).

void setAmount

(

const Int &

amount

)

void setCharge

(

const Int &

charge

)

void setFormula

(

const String &

formula

)

void setLogProb

(

const DoubleReal &

log_prob

)

void setSingleMass

(

const DoubleReal &

singleMass

)

---

Friends And Related Function Documentation

std::ostream& operator<<	(	std::ostream &	os,
		const Adduct &	a
	)			[friend]

Print the contents of an Adduct to a stream.

bool operator==	(	const Adduct &	a,
		const Adduct &	b
	)			[friend]

Comparator.

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Member Data Documentation

Int amount_ [private]

Int charge_ [private]

String formula_ [private]

String label_ [private]

DoubleReal log_prob_ [private]

DoubleReal rt_shift_ [private]

DoubleReal singleMass_ [private]