ScoredProcessingResult.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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// $Maintainer: Hendrik Weisser $
// $Authors: Hendrik Weisser $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/METADATA/ID/AppliedProcessingStep.h>
 
namespace OpenMS
{
  namespace IdentificationDataInternal
  {
    struct ScoredProcessingResult: public MetaInfoInterface
    {
      AppliedProcessingSteps steps_and_scores;
 
      AppliedProcessingSteps::nth_index<1>::type& getStepsAndScoresByStep()
      {
        return steps_and_scores.get<1>();
      }
 
      const AppliedProcessingSteps::nth_index<1>::type&
      getStepsAndScoresByStep() const
      {
        return steps_and_scores.get<1>();
      }
 
      void addProcessingStep(const AppliedProcessingStep& step)
      {
        auto step_pos =
          steps_and_scores.get<1>().find(step.processing_step_opt);
        if (step_pos == steps_and_scores.get<1>().end()) // new step
        {
          steps_and_scores.push_back(step);
        }
        else // existing step - add or update scores
        {
          steps_and_scores.get<1>().modify(
            step_pos, [&](AppliedProcessingStep& old_step)
            {
              for (const auto& pair : step.scores)
              {
                old_step.scores[pair.first] = pair.second;
              }
            });
        }
      }
 
      void addProcessingStep(ProcessingStepRef step_ref,
                             const std::map<ScoreTypeRef, double>& scores =
                             std::map<ScoreTypeRef, double>())
      {
        AppliedProcessingStep applied(step_ref, scores);
        addProcessingStep(applied);
      }
 
      void addScore(ScoreTypeRef score_type, double score,
                    const std::optional<ProcessingStepRef>&
                    processing_step_opt = std::nullopt)
      {
        AppliedProcessingStep applied(processing_step_opt);
        applied.scores[score_type] = score;
        addProcessingStep(applied);
      }
 
      ScoredProcessingResult& merge(const ScoredProcessingResult& other)
      {
        // merge applied processing steps and scores:
        for (const auto& step : other.steps_and_scores)
        {
          addProcessingStep(step);
        }
        // merge meta info - existing entries may be overwritten:
        addMetaValues(other);
 
        return *this;
      }
 
      std::pair<double, bool> getScore(ScoreTypeRef score_ref) const
      {
        std::tuple<double, std::optional<ProcessingStepRef>, bool> result =
          getScoreAndStep(score_ref);
        return std::make_pair(std::get<0>(result), std::get<2>(result));
      }
 
      std::pair<double, bool> getScore(ScoreTypeRef score_ref,
                                       std::optional<ProcessingStepRef>
                                       processing_step_opt) const
      {
        auto step_pos = steps_and_scores.get<1>().find(processing_step_opt);
        if (step_pos != steps_and_scores.get<1>().end())
        {
          auto score_pos = step_pos->scores.find(score_ref);
          if (score_pos != step_pos->scores.end())
          {
            return std::make_pair(score_pos->second, true);
          }
        }
        // not found:
        return std::make_pair(std::numeric_limits<double>::quiet_NaN(), false);
      }
 
      std::tuple<double, std::optional<ProcessingStepRef>, bool>
      getScoreAndStep(ScoreTypeRef score_ref) const
      {
        // give priority to scores from later processing steps:
        for (const auto& step : boost::adaptors::reverse(steps_and_scores))
        {
          auto pos = step.scores.find(score_ref);
          if (pos != step.scores.end())
          {
            return std::make_tuple(pos->second, step.processing_step_opt, true);
          }
        }
        // not found:
        return std::make_tuple(std::numeric_limits<double>::quiet_NaN(),
                               std::nullopt, false);
      }
 
      std::tuple<double, std::optional<ScoreTypeRef>, bool>
      getMostRecentScore() const
      {
        // check steps starting with most recent:
        for (const auto& step : boost::adaptors::reverse(steps_and_scores))
        {
          auto top_score = step.getScoresInOrder(true);
          if (!top_score.empty())
          {
            return std::make_tuple(top_score[0].second, top_score[0].first,
                                   true);
          }
        }
        return std::make_tuple(std::numeric_limits<double>::quiet_NaN(),
                               std::nullopt, false); // no score available
      }
 
      Size getNumberOfScores() const
      {
        Size counter = 0;
        for (const auto& step : steps_and_scores)
        {
          counter += step.scores.size();
        }
        return counter;
      }
 
    protected:
      explicit ScoredProcessingResult(
        const AppliedProcessingSteps& steps_and_scores =
        AppliedProcessingSteps()):
        steps_and_scores(steps_and_scores)
      {
      }
 
      ScoredProcessingResult(const ScoredProcessingResult&) = default;
    };
 
  }
}