filtercomplement.cpp

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/**
 * \file core/filter/filtercomplement.cpp
 * \date 24/09/2026
 * \author Olivier Langella
 * \brief filter for complement ions
 */
 
 
/*
 * PeptidOMS, Spectra to protein alignment tool
 * Copyright (C) 2026  Olivier Langella
 * <olivier.langella@cnrs.fr>
 *
 * This program 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.
 *
 * This program 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 this program.  If not, see <http://www.gnu.org/licenses/>.
 *
 */
#include "filtercomplement.h"
#include <pappsomspp/core/mzrange.h>
#include <qlogging.h>
#include <utility>
 
FilterComplement::FilterComplement(double target_mz,
                                   pappso::PrecisionPtr precision_ptr)
  : m_targetMzSum(target_mz), m_precisionPtr(precision_ptr)
{
}
 
 
/**
 * Copy constructor
 *
 * @param other TODO
 */
FilterComplement::FilterComplement(const FilterComplement &other)
  : m_targetMzSum(other.m_targetMzSum), m_precisionPtr(other.m_precisionPtr)
{
}
 
FilterComplement::~FilterComplement()
{
}
 
pappso::Trace &
FilterComplement::filter(pappso::Trace &data_points) const
{
  pappso::Trace new_trace;
  pappso::MzRange target_sum(m_targetMzSum, m_precisionPtr);
 
 
  auto it         = data_points.begin();
  auto it_reverse = data_points.rbegin();
  while(it->x < it_reverse->x)
    {
 
      if((it->x + it_reverse->x) < target_sum.lower())
        {
          it++;
        }
      else if((it->x + it_reverse->x) > target_sum.upper())
        {
          it_reverse++;
        }
      else
        {
          new_trace.push_back(*it);
          qDebug() << "itx=" << it->x;
          do
            {
              new_trace.push_back(*it_reverse);
              qDebug() << "itrevx=" << it_reverse->x;
              it_reverse++;
            }
          while(target_sum.contains(it->x + it_reverse->x));
        }
    }
 
  data_points = std::move(new_trace);
  data_points.sortX();
  return data_points;
}