selfspectrum.cpp

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/**
 * \file pappsomspp/processing/specself/selfspectrum.cpp
 * \date 23/03/2024
 * \author Olivier Langella
 * \brief spectrum self operations
 */
 
/*******************************************************************************
 * Copyright (c) 2024 Olivier Langella
 *<Olivier.Langella@universite-paris-saclay.fr>.
 *
 * This file is part of PAPPSOms++.
 *
 *     PAPPSOms++ 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++ 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++.  If not, see <http://www.gnu.org/licenses/>.
 *
 ******************************************************************************/
 
#include "selfspectrum.h"
#include <QDebug>
 
namespace pappso
{
namespace specself
{
 
SelfSpectrum::SelfSpectrum(const pappso::AaStringCodeMassMatching &codec_mass_matching,
                           const Trace &trace)
{
  m_trace = trace;
  m_matrix.resize(m_trace.size(), m_trace.size());
 
  qDebug() << m_trace.size();
  for(auto itmi = ++m_matrix.begin1(); itmi != m_matrix.end1(); ++itmi)
    {
      qDebug() << itmi.index1();
      for(auto itmj = ++itmi.begin(); itmj != itmi.end(); itmj++)
        {
          // itmj.fillSelfDataPoint(m_trace[itmj.index1()],
          // m_trace[itmj.index2()]);
          (*itmj).fillSelfSpectrumDataPoint(
            codec_mass_matching, m_trace[itmj.index1()], m_trace[itmj.index2()]);
        }
    }
 
  qDebug();
}
 
SelfSpectrum::~SelfSpectrum()
{
}
 
const SelfSpectrumMatrix &
SelfSpectrum::getMatrix() const
{
  return m_matrix;
}
 
 
const Trace &
SelfSpectrum::getTrace() const
{
  return m_trace;
}
 
 
void
SelfSpectrum::setPrecursorMass(const pappso::AaStringCodeMassMatching &codec_mass_matching,
                               double precursor_mass)
{
 
  for(auto itmi = ++m_matrix.begin1(); itmi != m_matrix.end1(); ++itmi)
    {
      for(auto itmj = ++itmi.begin(); itmj != itmi.end(); itmj++)
        {
          // itmj.fillSelfDataPoint(m_trace[itmj.index1()],
          // m_trace[itmj.index2()]);
          (*itmj).fillAntiSpectrumDataPoint(
            precursor_mass, codec_mass_matching, m_trace[itmj.index1()], m_trace[itmj.index2()]);
        }
    }
}
 
 
void
SelfSpectrum::setVariableModification(const pappso::AaStringCodeMassMatching &codec_mass_matching,
                                      const Aa &aa,
                                      int quantifier)
{
 
  for(auto itmi = ++m_matrix.begin1(); itmi != m_matrix.end1(); ++itmi)
    {
      for(auto itmj = ++itmi.begin(); itmj != itmi.end(); itmj++)
        {
          // itmj.fillSelfDataPoint(m_trace[itmj.index1()],
          // m_trace[itmj.index2()]);
          (*itmj).setVariableModification(codec_mass_matching, aa, quantifier);
        }
    }
}
 
} // namespace specself
} // namespace pappso