Method getCentroidInfo

src/openms/source/FORMAT/MzMLFile.cpp:223–264

  }

  std::map<UInt, MzMLFile::SpecInfo> MzMLFile::getCentroidInfo(const String& filename, const Size first_n_spectra_only)
  {
    bool oldoption = options_.getFillData();
    options_.setFillData(true); // we want the data as well (to allow estimation from data if metadata is missing)
    std::map<UInt, SpecInfo> ret;
    Size first_n_spectra_only_remaining = first_n_spectra_only;
    auto f = [&ret, &first_n_spectra_only_remaining](const MSSpectrum& s)
    {
        UInt lvl = s.getMSLevel();
        switch (s.getType(true))
        {
          case (MSSpectrum::SpectrumType::CENTROID):
            ++ret[lvl].count_centroided;
            --first_n_spectra_only_remaining;
            break;
          case (MSSpectrum::SpectrumType::PROFILE):
            ++ret[lvl].count_profile;
            --first_n_spectra_only_remaining;
            break;
          case (MSSpectrum::SpectrumType::UNKNOWN):  // this can only happen for spectra with very few peaks (or completely empty spectra)
            ++ret[lvl].count_unknown;
            break;
          default:
            // make sure we did not forget a case
            throw Exception::NotImplemented(__FILE__, __LINE__, OPENMS_PRETTY_FUNCTION);
        }

        // stop parsing after 10 or so spectra
        if (first_n_spectra_only_remaining == 0)
        {
          throw Internal::XMLHandler::EndParsingSoftly(__FILE__, __LINE__, OPENMS_PRETTY_FUNCTION);
        }
    };
    MSDataTransformingConsumer c;
    c.setSpectraProcessingFunc(f);
    transform(filename, &c, true, true); // no first pass

    // restore old state
    options_.setFillData(oldoption);

    return ret;
  }

} // namespace OpenMS