libpappsomspp
Library for mass spectrometry
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types.h
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/**
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* \file pappsomspp/processing/specpeptidoms/types.h
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* \date 24/03/2025
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* \author Aurélien Berthier
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*
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* C++ implementation of the SpecPeptidOMS algorithm described in :
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* (1) Benoist, É.; Jean, G.; Rogniaux, H.; Fertin, G.; Tessier, D. SpecPeptidOMS Directly and
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* Rapidly Aligns Mass Spectra on Whole Proteomes and Identifies Peptides That Are Not Necessarily
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* Tryptic: Implications for Peptidomics. J. Proteome Res. 2025.
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* https://doi.org/10.1021/acs.jproteome.4c00870.
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*/
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/*
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* Copyright (c) 2025 Aurélien Berthier
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* <aurelien.berthier@ls2n.fr>
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*
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* This program 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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* This program 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 this program. If not, see <http://www.gnu.org/licenses/>.
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*/
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#pragma once
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#include "
../../amino_acid/aa.h
"
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namespace
pappso
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{
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namespace
specpeptidoms
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{
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// const std::unordered_map<pappso::Aa, double> aaMasses;
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enum class
ScoreType
: std::uint8_t
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{
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foundDouble
= 0,
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found
= 1,
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foundShiftDouble
= 2,
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foundShift
= 3,
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notFound
= 4,
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init
= 5,
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};
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enum class
AlignType
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{
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found
,
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shift
,
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perfectShift
,
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notFound
,
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init
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};
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const
uint
MAX_SAVED_ALIGNMENTS
(5);
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const
uint
ALIGNMENT_SURPLUS
(5);
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const
int
MIN_ALIGNMENT_SCORE
(15);
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const
uint
MAX_RETURNED_RESULTS
(2);
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}
// namespace specpeptidoms
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}
// namespace pappso
aa.h
pappso::specpeptidoms
Definition
correctiontree.h:40
pappso::specpeptidoms::AlignType
AlignType
Definition
types.h:51
pappso::specpeptidoms::AlignType::shift
@ shift
Definition
types.h:53
pappso::specpeptidoms::AlignType::perfectShift
@ perfectShift
Definition
types.h:54
pappso::specpeptidoms::ALIGNMENT_SURPLUS
const uint ALIGNMENT_SURPLUS(5)
pappso::specpeptidoms::MAX_SAVED_ALIGNMENTS
const uint MAX_SAVED_ALIGNMENTS(5)
pappso::specpeptidoms::MIN_ALIGNMENT_SCORE
const int MIN_ALIGNMENT_SCORE(15)
pappso::specpeptidoms::MAX_RETURNED_RESULTS
const uint MAX_RETURNED_RESULTS(2)
pappso::specpeptidoms::ScoreType
ScoreType
Definition
types.h:41
pappso::specpeptidoms::ScoreType::foundDouble
@ foundDouble
Definition
types.h:42
pappso::specpeptidoms::ScoreType::notFound
@ notFound
Definition
types.h:46
pappso::specpeptidoms::ScoreType::found
@ found
Definition
types.h:43
pappso::specpeptidoms::ScoreType::foundShift
@ foundShift
Definition
types.h:45
pappso::specpeptidoms::ScoreType::foundShiftDouble
@ foundShiftDouble
Definition
types.h:44
pappso::specpeptidoms::ScoreType::init
@ init
Definition
types.h:47
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition
aa.cpp:39
pappso::uint
unsigned int uint
Definition
types.h:68
pappsomspp
core
processing
specpeptidoms
types.h
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