MSPFile.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: $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
#include <OpenMS/METADATA/PeptideIdentification.h>
#include <OpenMS/METADATA/PeptideIdentificationList.h>
#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/METADATA/AnnotatedMSRun.h>
 
#include <vector>
 
namespace OpenMS
{
  class AnnotatedMSRun;
  class OPENMS_DLLAPI MSPFile :
    public DefaultParamHandler
  {
public:
 
    MSPFile();
 
    MSPFile(const MSPFile & rhs);
 
    ~MSPFile() override;
 
    MSPFile & operator=(const MSPFile & rhs);
 
    void load(const String & filename, PeptideIdentificationList & ids, PeakMap & exp);
 
    void load(const String & filename, AnnotatedMSRun & annot_exp);
 
    void store(const String & filename, const AnnotatedMSRun & exp) const;
 
protected:
 
    void parseHeader_(const String & header, PeakSpectrum & spec);
  };
 
} // namespace OpenMS