precursor.h

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/**
 * \file pappsomspp/core/processing/cbor/mzcbor/precursor.h
 * \date 24/11/2025
 * \author Olivier Langella
 * \brief PSI precursor object for mzML/mzCBOR
 */
 
/*******************************************************************************
 * Copyright (c) 2025 Olivier Langella <Olivier.Langella@universite-paris-saclay.fr>.
 *
 * This file is part of PAPPSOms-tools.
 *
 *     PAPPSOms-tools is free software: you can redistribute it and/or modify
 *     it under the terms of the GNU General Public License as published by
 *     the Free Software Foundation, either version 3 of the License, or
 *     (at your option) any later version.
 *
 *     PAPPSOms-tools is distributed in the hope that it will be useful,
 *     but WITHOUT ANY WARRANTY; without even the implied warranty of
 *     MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 *     GNU General Public License for more details.
 *
 *     You should have received a copy of the GNU General Public License
 *     along with PAPPSOms-tools.  If not, see <http://www.gnu.org/licenses/>.
 *
 ******************************************************************************/
 
 
#pragma once
#include <QString>
#include <qcbormap.h>
#include "pappsomspp/core/processing/cbor/cborstreamreader.h"
#include "pappsomspp/core/processing/cbor/mzcbor/cvparammap.h"
 
namespace pappso
{
namespace cbor
{
namespace mzcbor
{
 
struct PMSPP_LIB_DECL IsolationWindow
{
  void fromCbor(CborStreamReader &reader);
  void fromQCborMap(const QCborMap &reader);
 
  /** @brief write the structure to a JSON object
   * @result QJsonObject
   */
  QJsonObject toJsonObject() const;
 
  /** @brief get isolation window target m/z given cvParam informations
   *
   */
  double getTargetMz() const;
 
  /** @brief compute isolation window lower m/z given cvParam informations
   *
   */
  double getLowerMz() const;
 
 
  /** @brief compute isolation window upper m/z given cvParam informations
   *
   */
  double getUpperMz() const;
 
  CvParamMap cvParamMap;
};
 
struct PMSPP_LIB_DECL SelectedIon
{
  void fromCbor(CborStreamReader &reader);
  void fromQCborMap(const QCborMap &reader);
 
  int getChargeState() const;
  double getIntensity(bool *isok) const;
  double getMz() const;
 
  CvParamMap cvParamMap;
};
/**
 * @todo write docs
 */
struct PMSPP_LIB_DECL Precursor
{
  void fromCbor(CborStreamReader &reader);
 
  /** @brief write the structure to a JSON object
   * @result QJsonObject
   */
  QJsonObject toJsonObject() const;
 
  QString spectrumRef;
 
  IsolationWindow isolationWindow;
 
  CvParamMap selectedIonListCvParamMap;
 
  std::vector<SelectedIon> selectedIonList;
};
} // namespace mzcbor
} // namespace cbor
} // namespace pappso