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Adduct Class Reference

#include <OpenMS/DATASTRUCTURES/Adduct.h>

Public Types

typedef std::vector< AdductAdductsType
 

Public Member Functions

 Adduct ()
 Default C'tor. More...
 
 Adduct (Int charge)
 C'tor with initial charge. More...
 
 Adduct (Int charge, Int amount, double singleMass, String formula, double log_prob, double rt_shift, const String label="")
 C'tor for all members. More...
 
Adduct operator* (const Int m) const
 Increase amount of this adduct by factor. More...
 
Adduct operator+ (const Adduct &rhs)
 Add two adducts amount if they are equal (defined by equal formula) More...
 
void operator+= (const Adduct &rhs)
 Add other adducts amount to *this (equal formula required!) More...
 

Friends

std::ostream & operator<< (std::ostream &os, const Adduct &a)
 Print the contents of an Adduct to a stream. More...
 
bool operator== (const Adduct &a, const Adduct &b)
 Comparator. More...
 
Int charge_
 
Int amount_
 
double singleMass_
 
double log_prob_
 
String formula_
 
double rt_shift_
 
String label_
 
const IntgetCharge () const
 
void setCharge (const Int &charge)
 
const IntgetAmount () const
 
void setAmount (const Int &amount)
 
const doublegetSingleMass () const
 
void setSingleMass (const double &singleMass)
 
const doublegetLogProb () const
 
void setLogProb (const double &log_prob)
 
const StringgetFormula () const
 
void setFormula (const String &formula)
 
const doublegetRTShift () const
 
const StringgetLabel () 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,
double  singleMass,
String  formula,
double  log_prob,
double  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 double& getLogProb ( ) const
const double& getRTShift ( ) const
const double& 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 double log_prob)
void setSingleMass ( const double 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.

Member Data Documentation

Int amount_
private
Int charge_
private
String formula_
private
String label_
private
double log_prob_
private
double rt_shift_
private
double singleMass_
private

OpenMS / TOPP release 2.0.0 Documentation generated on Thu Aug 20 2015 01:44:32 using doxygen 1.8.9.1