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xiccoordtims.h
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/**
* \file pappsomspp/msrun/xiccoord/xiccoordtims.h
* \date 22/04/2021
* \author Olivier Langella
* \brief XIC coordinate in a Tims MSrun
*/
/*******************************************************************************
* Copyright (c) 2021 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 "xiccoord.h"
namespace pappso
{
struct XicCoordTims;
typedef std::shared_ptr<XicCoordTims> XicCoordTimsSPtr;
/** @brief coordinates of the XIC to extract and the resulting XIC after
* extraction
*
* to extract a XIC, we need basically the mass to extract it
* this structure is meant to extact a XIC quickly and not to maintain
* information about it : no peptide, no scan number, no retention time...
*
*/
struct PMSPP_LIB_DECL XicCoordTims : XicCoord
{
/**
* Default constructor
*/
XicCoordTims() : XicCoord(){};
/**
* Copy constructor
*
* @param other TODO
*/
XicCoordTims(const XicCoordTims &other);
/**
* Destructor
*/
virtual ~XicCoordTims();
/** @brief intialize the XIC and make a deep copy of object
*/
virtual XicCoordSPtr initializeAndClone() const override;
virtual XicCoordSPtr addition(const XicCoordSPtr &to_add) const override;
virtual XicCoordSPtr multiplyBy(double number) const override;
virtual XicCoordSPtr divideBy(double number) const override;
virtual void reset() override;
virtual QString toString() const override;
virtual const QVariant getParam(XicCoordParam param) const override;
virtual void writeCborStream(QCborStreamWriter &cbor_writer) const override;
/** @brief apply scan num correction on xic coordinate
*/
void scanNumBeginRangeCorrection(long start_dev, long stop_dev);
/** @brief mobility index begin
*/
std::size_t scanNumBegin;
/** @brief mobility index end
*/
std::size_t scanNumEnd;
};
} // namespace pappso
PMSPP_LIB_DECL
#define PMSPP_LIB_DECL
Definition export-import-config.h:14
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
pappso::XicCoordParam
XicCoordParam
Definition xiccoord.h:51
pappso::XicCoordTimsSPtr
std::shared_ptr< XicCoordTims > XicCoordTimsSPtr
Definition xiccoordtims.h:40
pappso::XicCoordSPtr
std::shared_ptr< XicCoord > XicCoordSPtr
Definition xiccoord.h:44
pappso::XicCoordTims
coordinates of the XIC to extract and the resulting XIC after extraction
Definition xiccoordtims.h:51
pappso::XicCoordTims::scanNumEnd
std::size_t scanNumEnd
mobility index end
Definition xiccoordtims.h:101
pappso::XicCoordTims::scanNumBegin
std::size_t scanNumBegin
mobility index begin
Definition xiccoordtims.h:97
pappso::XicCoordTims::XicCoordTims
XicCoordTims()
Definition xiccoordtims.h:55
pappso::XicCoord::XicCoord
XicCoord()
Definition xiccoord.cpp:36
xiccoord.h