LeastSquaresCalibratorTest.cpp File Reference

#include "LeastSquaresCalibrator.hpp"
#include "pwiz/utility/misc/unit.hpp"
#include <iostream>
#include <iomanip>

Go to the source code of this file.

Functions
void	test ()
int	main ()

---

Function Documentation

void test

(

)

Definition at line 36 of file LeastSquaresCalibratorTest.cpp.

References pwiz::data::CalibrationParameters::A, pwiz::data::CalibrationParameters::B, pwiz::calibration::LeastSquaresCalibrator::calibrate(), e(), epsilon, pwiz::calibration::LeastSquaresCalibrator::error(), pwiz::data::CalibrationParameters::frequency(), pwiz::calibration::LeastSquaresCalibrator::parameters(), and unit_assert_equal.

Referenced by main(), runTests(), test(), testConfiguration(), and testThreadSafetyWorker().

{
    vector<double> trueMasses;
    trueMasses.push_back(100);
    trueMasses.push_back(200);
    trueMasses.push_back(300);

    CalibrationParameters p = CalibrationParameters::thermo_FT();

    vector<double> observedFrequencies; 
    for (vector<double>::iterator it=trueMasses.begin(); it!=trueMasses.end(); ++it)
        observedFrequencies.push_back(p.frequency(*it)); 

    auto_ptr<LeastSquaresCalibrator> calibrator = LeastSquaresCalibrator::create(trueMasses,
                                                                                 observedFrequencies);
    calibrator->calibrate();

    /*
    cout << setprecision(10) << p << endl;
    cout << calibrator->parameters() << endl;
    cout << "error: " << calibrator->error() << endl;
    */

    const double epsilon = .2; // not too small since A,B ~ 1e8
    unit_assert_equal(p.A, calibrator->parameters().A, epsilon);
    unit_assert_equal(p.B, calibrator->parameters().B, epsilon);
    unit_assert_equal(0, calibrator->error(), 1e-15);
}

int main

(

)

Definition at line 66 of file LeastSquaresCalibratorTest.cpp.

References e(), and test().

{
    try
    {
        test();
        return 0;
    }
    catch (exception& e)
    {
        cerr << e.what() << endl;
        return 1;
    }
}