Weights.h

Go to the documentation of this file.

// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2020.
//
// This software is released under a three-clause BSD license:
//  * Redistributions of source code must retain the above copyright
//    notice, this list of conditions and the following disclaimer.
//  * Redistributions in binary form must reproduce the above copyright
//    notice, this list of conditions and the following disclaimer in the
//    documentation and/or other materials provided with the distribution.
//  * Neither the name of any author or any participating institution
//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
// --------------------------------------------------------------------------
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: Anton Pervukhin <Anton.Pervukhin@CeBiTec.Uni-Bielefeld.DE> $
// --------------------------------------------------------------------------
//
 
#pragma once
 
#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