24 #ifndef _CALIBRATIONPARAMETERS_HPP_ 25 #define _CALIBRATIONPARAMETERS_HPP_ 67 os <<
"(" << p.
A <<
"," << p.
B <<
")";
79 if (frequency == 0)
throw std::runtime_error(
"[CalibrationParameters::mz()] Division by zero.\n");
82 A/frequency +
B/(frequency*frequency);
88 if (mz == 0)
throw std::runtime_error(
"[CalibrationParameters::frequency()] Division by zero.\n");
91 (
A+sqrt(
A*
A + 4*
B*mz))/(2*mz);
123 #endif // _CALIBRATIONPARAMETERS_HPP_
bool operator==(const CalibrationParameters &that) const
static CalibrationParameters thermo_FT()
std::ostream & operator<<(std::ostream &os, const Diff< object_type, config_type > &diff)
stream insertion of Diff results
double mz(double frequency) const
double frequency(double mz) const
CalibrationParameters(double a=0, double b=0, InstrumentModel im=FT)
static CalibrationParameters thermo_Orbitrap()
InstrumentModel instrumentModel
const double thermoA_Orbitrap_
bool operator!=(const CalibrationParameters &that) const
const double thermoB_Orbitrap_