QuadraticRegression.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// $Maintainer: Timo Sachsenberg $
// $Authors: Christian Ehrlich, Chris Bielow $
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#pragma once

#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/CONCEPT/Exception.h>

#include <iterator>
#include <vector>

namespace OpenMS
{
  namespace Math
  {
    /*
      @brief Estimates model parameters for a quadratic equation

      The quadratic equation is of the form 
       y = a + b*x + c*x^2

      Weighted inputs are supported. 

    */
    class OPENMS_DLLAPI QuadraticRegression
    {
public:
      QuadraticRegression();

      void computeRegression(
        std::vector<double>::const_iterator x_begin, 
        std::vector<double>::const_iterator x_end, 
        std::vector<double>::const_iterator y_begin);

      void computeRegressionWeighted(
        std::vector<double>::const_iterator x_begin, 
        std::vector<double>::const_iterator x_end,
        std::vector<double>::const_iterator y_begin, 
        std::vector<double>::const_iterator w_begin);

      double eval(double x) const;

      static double eval(double A, double B, double C, double x);

      double getA() const; 
      double getB() const; 
      double getC() const; 
      double getChiSquared() const;

protected:
      double a_;
      double b_;
      double c_;
      double chi_squared_;
    }; //class

  } //namespace
} //namespace