Method completeConsensus_

src/topp/MultiplexResolver.cpp:399–481

* @brief complete consensus * * @param consensus (possibly) incomplete consensus * @param pattern matching theoretical delta mass pattern * @param delta_mass_matched Was this delta mass in the theoretical pattern matched? * @param index_label_set index within the pattern at which the label sets were matched * * @return completed consensus */

   * @return completed consensus
   */
  ConsensusFeature completeConsensus_(const ConsensusFeature& consensus, const std::vector<MultiplexDeltaMasses::DeltaMass>& pattern, const std::vector<bool>& delta_mass_matched, int index_label_set)
  {
    // Nothing to do. Detected consensus is already complete.
    if (consensus.size() == pattern.size())
    {
      return ConsensusFeature(consensus);
    }
    
    if (pattern.size() != delta_mass_matched.size())
    {
       throw Exception::InvalidSize(__FILE__, __LINE__, OPENMS_PRETTY_FUNCTION, delta_mass_matched.size());
    }
    
    // new complete consensus feature
    ConsensusFeature consensus_complete;
    
    int charge = consensus.getCharge();
    double RT = consensus.getRT();
    double mz = consensus.getMZ();
    
    // find m/z of the new complete consensus
    double mz_complete = findNewMZ_(mz, charge, pattern, delta_mass_matched);
    
    consensus_complete.setMZ(mz_complete);
    consensus_complete.setRT(consensus.getRT());
    consensus_complete.setCharge(consensus.getCharge());
    consensus_complete.setIntensity(consensus.getIntensity());    // Alternatively, reduce intensity due to new zero-intensity dummy features.
    consensus_complete.setQuality(consensus.getQuality());
    consensus_complete.setPeptideIdentifications(consensus.getPeptideIdentifications());
    consensus_complete.getPeptideIdentifications()[0].getHits()[0].setMetaValue("map_index", index_label_set);
    
    // loop over delta masses in theoretical pattern
    std::vector<MultiplexDeltaMasses::DeltaMass>::const_iterator it_mass_shift;
    std::vector<bool>::const_iterator it_delta_mass_matched;
    ConsensusFeature::HandleSetType::const_iterator it_feature;
    for (it_mass_shift = pattern.begin(), it_delta_mass_matched = delta_mass_matched.begin(), it_feature = consensus.getFeatures().begin();
         it_mass_shift != pattern.end() && it_delta_mass_matched != delta_mass_matched.end();
         ++it_mass_shift, ++it_delta_mass_matched)
    {
      
      //OPENMS_LOG_DEBUG << "    index = " << (it_mass_shift - pattern.begin()) << "    shift = " << it_mass_shift->delta_mass;
      if (*it_delta_mass_matched)
      {
        // copy feature from incomplete consensus
        FeatureHandle feature_handle(*it_feature);
        feature_handle.setMapIndex(it_mass_shift - pattern.begin());
        consensus_complete.insert(feature_handle);
        
        if (it_feature != consensus.getFeatures().end())
        {
          ++it_feature;
        }
      }
      else
      {        
        // construct dummy feature
        FeatureHandle feature_handle;
        feature_handle.setMZ(mz_complete + it_mass_shift->delta_mass / charge);