Method main_

src/topp/Resampler.cpp:89–187

  }

  ExitCodes main_(int, const char **) override
  {
    //----------------------------------------------------------------
    // load data
    //----------------------------------------------------------------
    String in = getStringOption_("in");
    String out = getStringOption_("out");
    double sampling_rate = getDoubleOption_("sampling_rate");
    double min_int_cutoff = getDoubleOption_("min_int_cutoff");
    bool align_sampling = getFlag_("align_sampling");
    bool ppm = getFlag_("ppm");
    PeakMap exp;
    MzMLFile f;
    f.setLogType(log_type_);
    f.load(in, exp);

    Param resampler_param;
    resampler_param.setValue("spacing", sampling_rate);
    if (ppm) resampler_param.setValue("ppm", "true");
    else resampler_param.setValue("ppm", "false");

    if (!align_sampling)
    {
      LinearResampler lin_resampler;
      lin_resampler.setParameters(resampler_param);

      // resample every scan
      for (Size i = 0; i < exp.size(); ++i)
      {
        lin_resampler.raster(exp[i]);
      }
    }
    else
    {
      LinearResamplerAlign lin_resampler;
      lin_resampler.setParameters(resampler_param);

      bool start_pos_set = false;
      bool end_pos_set = false;
      double start_pos = 0.0;
      double end_pos = 0.0;
      // get max / min positions across whole map
      for (Size i = 0; i < exp.size(); ++i)
      {
        if (!exp[i].empty() && (!start_pos_set || exp[i][0].getMZ() < start_pos) )
        {
          start_pos = exp[i][0].getMZ();
          start_pos_set = true;
        }
        if (!exp[i].empty() && (!end_pos_set || exp[i].back().getMZ() > end_pos) )
        {
          end_pos = exp[i].back().getMZ();
          end_pos_set = true;
        }
      }

      if (start_pos_set)
      {