Weights.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// $Maintainer: Stephan Aiche $
// $Authors: Anton Pervukhin <Anton.Pervukhin@CeBiTec.Uni-Bielefeld.DE> $
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//

#ifndef OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_WEIGHTS_H
#define OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_WEIGHTS_H

#include <vector>
#include <ostream>

#include <OpenMS/config.h>

namespace OpenMS
{
  namespace ims
  {
    class OPENMS_DLLAPI Weights
    {
public:
      typedef long unsigned int weight_type;

      typedef double alphabet_mass_type;

      typedef std::vector<weight_type> weights_type;

      typedef std::vector<alphabet_mass_type> alphabet_masses_type;

      typedef weights_type::size_type size_type;

      Weights() {}

      Weights(const alphabet_masses_type & masses, alphabet_mass_type precision) :
        alphabet_masses_(masses),
        precision_(precision)
      {
        setPrecision(precision);
      }

      Weights(const Weights & other) :
        alphabet_masses_(other.alphabet_masses_),
        precision_(other.precision_),
        weights_(other.weights_) {}

      Weights & operator=(const Weights & other);

      size_type size() const
      {
        return weights_.size();
      }

      weight_type getWeight(size_type i) const
      {
        return weights_[i];
      }

      void setPrecision(alphabet_mass_type precision);

      alphabet_mass_type getPrecision() const
      {
        return precision_;
      }

      weight_type operator[](size_type i) const
      {
        return weights_[i];
      }

      weight_type back() const
      {
        return weights_.back();
      }

      alphabet_mass_type getAlphabetMass(size_type i) const
      {
        return alphabet_masses_[i];
      }

      alphabet_mass_type getParentMass(const std::vector<unsigned int> & decomposition) const;

      void swap(size_type index1, size_type index2);

      bool divideByGCD();

      alphabet_mass_type getMinRoundingError() const;

      alphabet_mass_type getMaxRoundingError() const;
private:
      alphabet_masses_type alphabet_masses_;

      alphabet_mass_type precision_;

      weights_type weights_;
    };

    OPENMS_DLLAPI std::ostream & operator<<(std::ostream & os, const Weights & weights);

  } // namespace ims
} // namespace OpenMS

#endif // OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_WEIGHTS_H