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24 #ifndef _CALIBRATIONPARAMETERS_HPP_
25 #define _CALIBRATIONPARAMETERS_HPP_
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");
88 if (
mz == 0)
throw std::runtime_error(
"[CalibrationParameters::frequency()] Division by zero.\n");
123 #endif // _CALIBRATIONPARAMETERS_HPP_
InstrumentModel instrumentModel
std::ostream & operator<<(std::ostream &os, const Diff< object_type, config_type > &diff)
stream insertion of Diff results
CalibrationParameters(double a=0, double b=0, InstrumentModel im=FT)
static CalibrationParameters thermo_FT()
double frequency(double mz) const
bool operator==(const CalibrationParameters &that) const
const double thermoB_Orbitrap_
double mz(double neutralMass, int protonDelta, int electronDelta=0, int neutronDelta=0)
bool operator!=(const CalibrationParameters &that) const
const double thermoA_Orbitrap_
static CalibrationParameters thermo_Orbitrap()
double mz(double frequency) const