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pwiz::data::CalibrationParameters Struct Reference

#include <CalibrationParameters.hpp>

Public Types

enum  InstrumentModel { FT , Orbitrap }
 

Public Member Functions

 CalibrationParameters (double a=0, double b=0, InstrumentModel im=FT)
 
double mz (double frequency) const
 
double frequency (double mz) const
 
bool operator== (const CalibrationParameters &that) const
 
bool operator!= (const CalibrationParameters &that) const
 

Static Public Member Functions

static CalibrationParameters thermo_FT ()
 
static CalibrationParameters thermo_Orbitrap ()
 

Public Attributes

double A
 
double B
 
InstrumentModel instrumentModel
 

Detailed Description

Definition at line 45 of file CalibrationParameters.hpp.

Member Enumeration Documentation

◆ InstrumentModel

Constructor & Destructor Documentation

◆ CalibrationParameters()

pwiz::data::CalibrationParameters::CalibrationParameters ( double  a = 0,
double  b = 0,
InstrumentModel  im = FT 
)
inline

Member Function Documentation

◆ mz()

double pwiz::data::CalibrationParameters::mz ( double  frequency) const
inline

Definition at line 77 of file CalibrationParameters.hpp.

78{
79 if (frequency == 0) throw std::runtime_error("[CalibrationParameters::mz()] Division by zero.\n");
80 return (instrumentModel==Orbitrap) ?
83}

References A, B, instrumentModel, and Orbitrap.

Referenced by frequency(), and test().

◆ frequency()

double pwiz::data::CalibrationParameters::frequency ( double  mz) const
inline

Definition at line 86 of file CalibrationParameters.hpp.

87{
88 if (mz == 0) throw std::runtime_error("[CalibrationParameters::frequency()] Division by zero.\n");
89 return (instrumentModel==Orbitrap) ?
90 sqrt(A/mz) :
91 (A+sqrt(A*A + 4*B*mz))/(2*mz);
92}
double mz(double frequency) const

References A, B, instrumentModel, mz(), and Orbitrap.

Referenced by test(), and testNoiseFloorVarianceCalculation().

◆ operator==()

bool pwiz::data::CalibrationParameters::operator== ( const CalibrationParameters that) const
inline

Definition at line 95 of file CalibrationParameters.hpp.

96{
97 return A==that.A && B==that.B && instrumentModel==that.instrumentModel;
98}

References A, B, and instrumentModel.

Referenced by operator!=().

◆ operator!=()

bool pwiz::data::CalibrationParameters::operator!= ( const CalibrationParameters that) const
inline

Definition at line 101 of file CalibrationParameters.hpp.

102{
103 return !operator==(that);
104}
bool operator==(const CalibrationParameters &that) const

References operator==().

◆ thermo_FT()

CalibrationParameters pwiz::data::CalibrationParameters::thermo_FT ( )
inlinestatic

◆ thermo_Orbitrap()

CalibrationParameters pwiz::data::CalibrationParameters::thermo_Orbitrap ( )
inlinestatic

Member Data Documentation

◆ A

double pwiz::data::CalibrationParameters::A

◆ B

double pwiz::data::CalibrationParameters::B

◆ instrumentModel

InstrumentModel pwiz::data::CalibrationParameters::instrumentModel

Definition at line 51 of file CalibrationParameters.hpp.

Referenced by frequency(), mz(), and operator==().


The documentation for this struct was generated from the following file: