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timsframemobilitytraces.h
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/**
* \file pappsomspp/vendors/tims/mobilitytraces
* \date 05/07/2024
* \author Olivier Langella
* \brief extracting mobility traces
*/
/*******************************************************************************
* Copyright (c) 2024 Olivier Langella
*<Olivier.Langella@universite-paris-saclay.fr>.
*
* This file is part of the PAPPSOms++ library.
*
* 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/>.
*
******************************************************************************/
#pragma once
#include "../timsframe.h"
namespace pappso
{
/**
* @todo write docs
*/
class TimsFrameMobilityTraces
{
public:
/**
* Default constructor
*/
TimsFrameMobilityTraces();
/**
* Copy constructor
*
* @param other TODO
*/
TimsFrameMobilityTraces(const TimsFrameMobilityTraces &other);
/**
* Destructor
*/
~TimsFrameMobilityTraces();
void extractMobilityTraces(pappso::TimsFrameCstSPtr timsframe_sptr,
std::size_t ion_mob_begin,
std::size_t ion_mob_end,
std::size_t max_traces);
const std::vector<pappso::TraceCstSPtr> &getIonMobTraceList() const;
const std::vector<std::size_t> &getTofIndexList() const;
const std::vector<std::size_t> &getScanIndexList() const;
const std::vector<double> getMzList() const;
private:
pappso::TimsFrameCstSPtr mcsp_timsFrameCstSPtr;
std::vector<pappso::TraceCstSPtr> m_ionMobTraceList;
std::vector<std::size_t> m_tofIndexList;
std::vector<std::size_t> m_scanIndexList;
};
} // namespace pappso
pappso::TimsFrameMobilityTraces
Definition timsframemobilitytraces.h:39
pappso::TimsFrameMobilityTraces::extractMobilityTraces
void extractMobilityTraces(pappso::TimsFrameCstSPtr timsframe_sptr, std::size_t ion_mob_begin, std::size_t ion_mob_end, std::size_t max_traces)
Definition timsframemobilitytraces.cpp:47
pappso::TimsFrameMobilityTraces::mcsp_timsFrameCstSPtr
pappso::TimsFrameCstSPtr mcsp_timsFrameCstSPtr
Definition timsframemobilitytraces.h:69
pappso::TimsFrameMobilityTraces::getScanIndexList
const std::vector< std::size_t > & getScanIndexList() const
Definition timsframemobilitytraces.cpp:128
pappso::TimsFrameMobilityTraces::m_tofIndexList
std::vector< std::size_t > m_tofIndexList
Definition timsframemobilitytraces.h:72
pappso::TimsFrameMobilityTraces::m_ionMobTraceList
std::vector< pappso::TraceCstSPtr > m_ionMobTraceList
Definition timsframemobilitytraces.h:71
pappso::TimsFrameMobilityTraces::TimsFrameMobilityTraces
TimsFrameMobilityTraces()
Definition timsframemobilitytraces.cpp:34
pappso::TimsFrameMobilityTraces::getMzList
const std::vector< double > getMzList() const
Definition timsframemobilitytraces.cpp:111
pappso::TimsFrameMobilityTraces::m_scanIndexList
std::vector< std::size_t > m_scanIndexList
Definition timsframemobilitytraces.h:73
pappso::TimsFrameMobilityTraces::getTofIndexList
const std::vector< std::size_t > & getTofIndexList() const
Definition timsframemobilitytraces.cpp:106
pappso::TimsFrameMobilityTraces::~TimsFrameMobilityTraces
~TimsFrameMobilityTraces()
Definition timsframemobilitytraces.cpp:43
pappso::TimsFrameMobilityTraces::getIonMobTraceList
const std::vector< pappso::TraceCstSPtr > & getIonMobTraceList() const
Definition timsframemobilitytraces.cpp:101
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
pappso::TimsFrameCstSPtr
std::shared_ptr< const TimsFrame > TimsFrameCstSPtr
Definition timsframe.h:43