QuadraticRegression.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2023.
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// $Maintainer: Timo Sachsenberg $
// $Authors: Christian Ehrlich, Chris Bielow $
// --------------------------------------------------------------------------
 
#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