libpappsomspp
Library for mass spectrometry
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msrunslice.h
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/**
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* \file pappsomspp/xicextractor/private/msrunslice.h
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* \date 12/05/2018
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* \author Olivier Langella
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* \brief one mz slice (1 dalton) of an MsRun
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*/
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/*******************************************************************************
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* Copyright (c) 2018 Olivier Langella <Olivier.Langella@u-psud.fr>.
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*
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* This file is part of the PAPPSOms++ library.
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*
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* PAPPSOms++ is free software: you can redistribute it and/or modify
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* it under the terms of the GNU General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* PAPPSOms++ is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU General Public License for more details.
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*
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* You should have received a copy of the GNU General Public License
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* along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
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*
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* Contributors:
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* Olivier Langella <Olivier.Langella@u-psud.fr> - initial API and
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*implementation
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******************************************************************************/
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#pragma once
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#include "
pappsomspp/core/massspectrum/massspectrum.h
"
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#include <QDataStream>
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namespace
pappso
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{
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class
MsRunSlice
;
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typedef
std::shared_ptr<const MsRunSlice>
MsRunSliceSPtr
;
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class
MsRunSlice
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{
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public
:
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MsRunSlice
();
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MsRunSlice
(
const
MsRunSlice
&other);
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virtual
~MsRunSlice
();
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MsRunSliceSPtr
makeMsRunSliceSp
()
const
;
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void
setSliceNumber
(
unsigned
int
slice_number);
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unsigned
int
getSliceNumber
()
const
;
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void
clear
();
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std::size_t
size
()
const
;
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/** @brief set number of spectrum (mz/intensity) stored in this slice
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*/
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void
setSize
(std::size_t
size
);
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void
appendToStream
(QDataStream &stream, std::size_t ipos)
const
;
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const
MassSpectrum
&
getSpectrum
(std::size_t i)
const
;
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MassSpectrum
&
getSpectrum
(std::size_t i);
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/** @brief set the mass spectrum for a given index (retention time)
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*/
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void
setSpectrum
(std::size_t i,
const
MassSpectrum
&spectrum);
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private
:
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unsigned
int
m_sliceNumber
= 0;
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std::vector<MassSpectrum>
m_spectrumList
;
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};
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QDataStream &
operator>>
(QDataStream &instream,
MsRunSlice
&slice);
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}
// namespace pappso
pappso::MassSpectrum
Class to represent a mass spectrum.
Definition
massspectrum.h:70
pappso::MsRunSlice
Definition
msrunslice.h:43
pappso::MsRunSlice::getSpectrum
const MassSpectrum & getSpectrum(std::size_t i) const
Definition
msrunslice.cpp:126
pappso::MsRunSlice::~MsRunSlice
virtual ~MsRunSlice()
Definition
msrunslice.cpp:52
pappso::MsRunSlice::m_sliceNumber
unsigned int m_sliceNumber
Definition
msrunslice.h:73
pappso::MsRunSlice::MsRunSlice
MsRunSlice()
Definition
msrunslice.cpp:42
pappso::MsRunSlice::makeMsRunSliceSp
MsRunSliceSPtr makeMsRunSliceSp() const
Definition
msrunslice.cpp:57
pappso::MsRunSlice::setSpectrum
void setSpectrum(std::size_t i, const MassSpectrum &spectrum)
set the mass spectrum for a given index (retention time)
Definition
msrunslice.cpp:93
pappso::MsRunSlice::setSliceNumber
void setSliceNumber(unsigned int slice_number)
Definition
msrunslice.cpp:63
pappso::MsRunSlice::appendToStream
void appendToStream(QDataStream &stream, std::size_t ipos) const
Definition
msrunslice.cpp:143
pappso::MsRunSlice::clear
void clear()
Definition
msrunslice.cpp:86
pappso::MsRunSlice::getSliceNumber
unsigned int getSliceNumber() const
Definition
msrunslice.cpp:69
pappso::MsRunSlice::setSize
void setSize(std::size_t size)
set number of spectrum (mz/intensity) stored in this slice
Definition
msrunslice.cpp:81
pappso::MsRunSlice::size
std::size_t size() const
Definition
msrunslice.cpp:75
pappso::MsRunSlice::m_spectrumList
std::vector< MassSpectrum > m_spectrumList
Definition
msrunslice.h:74
massspectrum.h
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition
aa.cpp:39
pappso::operator>>
QDataStream & operator>>(QDataStream &instream, MassSpectrum &massSpectrum)
Definition
massspectrum.cpp:353
pappso::MsRunSliceSPtr
std::shared_ptr< const MsRunSlice > MsRunSliceSPtr
Definition
msrunslice.h:40
pappsomspp
core
xicextractor
private
msrunslice.h
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