PercolatorTypes.h

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// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: Timo Sachsenberg $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/DATASTRUCTURES/ListUtils.h>
#include <OpenMS/DATASTRUCTURES/StringUtils.h>
 
#include <vector>
 
namespace OpenMS
{
  struct OPENMS_DLLAPI RescoreInput
  {
    std::vector<std::vector<double>> features;
    std::vector<bool> is_decoy;
    std::vector<int> cv_group_keys;
    StringList feature_names;
 
    std::vector<int>    scan_numbers;
    std::vector<int>    spec_file_numbers;
    std::vector<double> exp_masses;
    std::vector<double> calc_masses;
  };
 
  struct OPENMS_DLLAPI RescoreOutput
  {
    std::vector<double> scores;     
    std::vector<double> q_values;   
    std::vector<double> peps;       
  };
 
  struct OPENMS_DLLAPI PercolatorModel
  {
    int format_version = 1;
    StringList feature_names;
    std::vector<double> weights;
    std::string normalizer_type;
    int seed = 0;
  };
}