// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2017.
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// This software is released under a three-clause BSD license:
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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// --------------------------------------------------------------------------
// $Maintainer: Lars Nilse $
// $Authors: Lars Nilse $
// --------------------------------------------------------------------------

#ifndef OPENMS_FILTERING_DATAREDUCTION_SPLINEPACKAGE_H
#define OPENMS_FILTERING_DATAREDUCTION_SPLINEPACKAGE_H

#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/DATASTRUCTURES/DRange.h>
#include <OpenMS/MATH/MISC/CubicSpline2d.h>

#include <vector>
#include <algorithm>
#include <iostream>

namespace OpenMS
{
/**
 * @brief fundamental data structure for SplineSpectrum
 *
 * In many cases, data points in MS spectra are not equidistant in m/z but consist of packages of
 * data points separated by wide m/z ranges with zero intensity. SplinePackage contains the
 * spline fit of a single set of such data points.
 *
 * @see SplineSpectrum
 */
class OPENMS_DLLAPI SplinePackage
{
public:
/**
 * @brief constructor
 */
SplinePackage(std::vector<double> mz, std::vector<double> intensity, double scaling);

/**
 * @brief destructor
 */
~SplinePackage();

/**
 * @brief returns the minimum m/z for which the spline fit is valid
 */
double getMzMin() const;

/**
 * @brief returns the maximum m/z for which the spline fit is valid
 */
double getMzMax() const;

/**
 * @brief returns a sensible m/z step width for the package
 */
double getMzStepWidth() const;

/**
 * @brief returns true if m/z in [mzMin:mzMax] interval else false
 */
bool isInPackage(double mz) const;

/**
 * @brief returns interpolated intensity @ position mz
 */
double eval(double mz) const;

private:
/**
 * @brief m/z limits of the package in the raw data spectrum
 */
double mz_min_;
double mz_max_;

/**
 * @brief sensible m/z step width with which to scan through the package
 * (raw data spacing times a scaling factor typically <1)
 */
double mz_step_width_;

/**
 * @brief spline object for interpolation of intensity profile
 */
CubicSpline2d spline_;

};

}

#endif /* SPLINEPACKAGE_H_ */
