AppliedProcessingStep.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2023.
//
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//    may be used to endorse or promote products derived from this software
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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// $Maintainer: Hendrik Weisser $
// $Authors: Hendrik Weisser $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/METADATA/ID/ProcessingStep.h>
#include <OpenMS/METADATA/ID/ScoreType.h>
 
#include <boost/range/adaptor/reversed.hpp>
#include <boost/multi_index_container.hpp>
#include <boost/multi_index/member.hpp>
#include <boost/multi_index/ordered_index.hpp>
#include <boost/multi_index/sequenced_index.hpp>
 
#include <optional>
 
namespace OpenMS
{
  namespace IdentificationDataInternal
  {
    struct AppliedProcessingStep
    {
      std::optional<ProcessingStepRef> processing_step_opt;
 
      std::map<ScoreTypeRef, double> scores;
 
      explicit AppliedProcessingStep(
        const std::optional<ProcessingStepRef>& processing_step_opt =
        std::nullopt, const std::map<ScoreTypeRef, double>& scores =
        std::map<ScoreTypeRef, double>()):
        processing_step_opt(processing_step_opt), scores(scores)
      {
      }
 
      bool operator==(const AppliedProcessingStep& other) const
      {
        return ((processing_step_opt == other.processing_step_opt) &&
                (scores == other.scores));
      }
 
      std::vector<std::pair<ScoreTypeRef, double>>
      getScoresInOrder(bool primary_only = false) const
      {
        std::vector<std::pair<ScoreTypeRef, double>> result;
        std::set<ScoreTypeRef> scores_done;
 
        if (processing_step_opt)
        {
          ProcessingSoftwareRef sw_ref = (*processing_step_opt)->software_ref;
          for (ScoreTypeRef score_ref : sw_ref->assigned_scores)
          {
            auto pos = scores.find(score_ref);
            if (pos != scores.end())
            {
              result.push_back(*pos);
              if (primary_only) return result;
              scores_done.insert(score_ref);
            }
          }
        }
        for (const auto& pair: scores)
        {
          if (!scores_done.count(pair.first))
          {
            result.push_back(pair);
            if (primary_only) return result;
          }
        }
        return result;
      }
    };
 
    // we want to keep track of the processing steps in sequence (order of
    // application), but also ensure there are no duplicate steps:
    typedef boost::multi_index_container<
      AppliedProcessingStep,
      boost::multi_index::indexed_by<
        boost::multi_index::sequenced<>,
        boost::multi_index::ordered_unique<
          boost::multi_index::member<
            AppliedProcessingStep, std::optional<ProcessingStepRef>,
            &AppliedProcessingStep::processing_step_opt>>>
      > AppliedProcessingSteps;
 
  }
}