24#ifndef _CALIBRATIONPARAMETERS_HPP_
25#define _CALIBRATIONPARAMETERS_HPP_
54 double mz(
double frequency)
const;
67 os <<
"(" << p.
A <<
"," << p.
B <<
")";
73:
A(a),
B(b), instrumentModel(im)
79 if (frequency == 0)
throw std::runtime_error(
"[CalibrationParameters::mz()] Division by zero.\n");
81 A/(frequency*frequency) :
82 A/frequency +
B/(frequency*frequency);
88 if (
mz == 0)
throw std::runtime_error(
"[CalibrationParameters::frequency()] Division by zero.\n");
std::ostream & operator<<(std::ostream &os, const Diff< object_type, config_type > &diff)
stream insertion of Diff results
const double thermoA_Orbitrap_
const double thermoB_Orbitrap_
bool operator!=(const CalibrationParameters &that) const
bool operator==(const CalibrationParameters &that) const
static CalibrationParameters thermo_FT()
CalibrationParameters(double a=0, double b=0, InstrumentModel im=FT)
double mz(double frequency) const
static CalibrationParameters thermo_Orbitrap()
InstrumentModel instrumentModel
double frequency(double mz) const