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Public Types | Public Member Functions | Static Public Member Functions | Public Attributes
pwiz::data::CalibrationParameters Struct Reference

#include <CalibrationParameters.hpp>

List of all members.

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

Enumerator:
FT 
Orbitrap 

Definition at line 50 of file CalibrationParameters.hpp.


Constructor & Destructor Documentation

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

Definition at line 72 of file CalibrationParameters.hpp.

Referenced by thermo_FT(), and thermo_Orbitrap().

: A(a), B(b), instrumentModel(im)
{}

Member Function Documentation

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().

{
if (frequency == 0) throw std::runtime_error("[CalibrationParameters::mz()] Division by zero.\n");
}
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().

{
if (mz == 0) throw std::runtime_error("[CalibrationParameters::frequency()] Division by zero.\n");
sqrt(A/mz) :
(A+sqrt(A*A + 4*B*mz))/(2*mz);
}
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!=().

{
return A==that.A && B==that.B && instrumentModel==that.instrumentModel;
}
bool pwiz::data::CalibrationParameters::operator!= ( const CalibrationParameters that) const
inline

Definition at line 101 of file CalibrationParameters.hpp.

References operator==().

{
return !operator==(that);
}
CalibrationParameters pwiz::data::CalibrationParameters::thermo_FT ( )
inlinestatic
CalibrationParameters pwiz::data::CalibrationParameters::thermo_Orbitrap ( )
inlinestatic

Member Data Documentation

double pwiz::data::CalibrationParameters::A
double pwiz::data::CalibrationParameters::B
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: