ObservationMatchGroup.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
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// $Maintainer: Hendrik Weisser $
// $Authors: Hendrik Weisser $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/METADATA/ID/ObservationMatch.h>
 
#include <boost/multi_index_container.hpp>
#include <boost/multi_index/ordered_index.hpp>
 
namespace OpenMS
{
  namespace IdentificationDataInternal
  {
    struct ObservationMatchGroup: public ScoredProcessingResult
    {
      std::set<ObservationMatchRef> observation_match_refs;
 
      bool allSameMolecule() const
      {
        // @TODO: return true or false for the empty set?
        if (observation_match_refs.size() <= 1) return true;
        const IdentifiedMolecule var =
          (*observation_match_refs.begin())->identified_molecule_var;
        for (auto it = ++observation_match_refs.begin();
             it != observation_match_refs.end(); ++it)
        {
          if (!((*it)->identified_molecule_var == var)) return false;
        }
        return true;
      }
 
      bool allSameQuery() const
      {
        // @TODO: return true or false for the empty set?
        if (observation_match_refs.size() <= 1) return true;
        ObservationRef ref = (*observation_match_refs.begin())->observation_ref;
        for (auto it = ++observation_match_refs.begin();
             it != observation_match_refs.end(); ++it)
        {
          if ((*it)->observation_ref != ref) return false;
        }
        return true;
      }
 
      bool operator==(const ObservationMatchGroup& rhs) const
      {
        return ((rhs.observation_match_refs == observation_match_refs) &&
                (rhs.steps_and_scores == steps_and_scores));
      }
 
      bool operator!=(const ObservationMatchGroup& rhs) const
      {
        return !operator==(rhs);
      }
    };
 
    typedef boost::multi_index_container<
      ObservationMatchGroup,
      boost::multi_index::indexed_by<
        boost::multi_index::ordered_unique<
          boost::multi_index::member<ObservationMatchGroup, std::set<ObservationMatchRef>,
                                     &ObservationMatchGroup::observation_match_refs>>>
      > ObservationMatchGroups;
    typedef IteratorWrapper<ObservationMatchGroups::iterator> MatchGroupRef;
  }
}