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Public Types | Public Member Functions | Static Public Member Functions | Public Attributes | List of all members
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.

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

Referenced by test().

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

§ frequency()

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

Definition at line 86 of file CalibrationParameters.hpp.

References A, B, instrumentModel, and Orbitrap.

Referenced by mz(), test(), and testNoiseFloorVarianceCalculation().

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

§ operator==()

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

Definition at line 95 of file CalibrationParameters.hpp.

References A, B, and instrumentModel.

Referenced by operator!=().

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

§ operator!=()

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

Definition at line 101 of file CalibrationParameters.hpp.

References operator==().

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

§ thermo_FT()

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

Definition at line 107 of file CalibrationParameters.hpp.

References CalibrationParameters(), and FT.

Referenced by createPrecursorRecalculator_msprefix(), test(), and test2().

108 {
110 }
const double thermoB_FT_
CalibrationParameters(double a=0, double b=0, InstrumentModel im=FT)
const double thermoA_FT_

§ thermo_Orbitrap()

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

Definition at line 113 of file CalibrationParameters.hpp.

References CalibrationParameters(), and Orbitrap.

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: