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Library for mass spectrometry
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specxtractinterface.cpp
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/**
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* \file pappsomspp/processing/spectree/specxtractinterface.cpp
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* \date 11/12/2023
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* \author Olivier Langella
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* \brief Matthieu David's SpecTree structure
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*
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* C++ implementation of algorithm already described in :
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* 1. David, M., Fertin, G., Rogniaux, H. & Tessier, D. SpecOMS: A Full Open
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* Modification Search Method Performing All-to-All Spectra Comparisons within
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* Minutes. J. Proteome Res. 16, 3030–3038 (2017).
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*
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* https://www.theses.fr/2019NANT4092
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*/
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/*
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* SpecTree
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* Copyright (C) 2023 Olivier Langella
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* <olivier.langella@universite-paris-saclay.fr>
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*
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* This program is free software: you can redistribute ipetide to spectrum
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* alignmentt and/or modify it under the terms of the GNU General Public License
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* as published by the Free Software Foundation, either version 3 of the
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* License, or (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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*/
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#include "
specxtractinterface.h
"
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#include <QDebug>
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namespace
pappso
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{
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namespace
spectree
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{
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SpecXtractInterface::SpecXtractInterface
()
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{
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}
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SpecXtractInterface::~SpecXtractInterface
()
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{
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}
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void
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SpecXtractInterface::endItemCartExtraction
(std::size_t cart_id_a [[maybe_unused]])
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{
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}
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void
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SpecXtractInterface::beginItemCartExtraction
(std::size_t cart_id_a [[maybe_unused]])
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{
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}
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void
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SpecXtractMap::reportSimilarity
(std::size_t cart_id_a,
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std::size_t cart_id_b,
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std::size_t similarity)
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{
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qDebug() <<
" a="
<< cart_id_a <<
" b="
<< cart_id_b <<
" count="
<< similarity;
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auto
it_line =
m_mapSimilarities
.insert({cart_id_a, std::map<std::size_t, std::size_t>()});
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auto
it_line2 = it_line.first->second.insert({cart_id_b, similarity});
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if
(it_line2.second ==
false
)
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{
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it_line2.first->second = similarity;
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}
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}
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SpecXtractMap::SpecXtractMap
()
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{
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}
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SpecXtractMap::~SpecXtractMap
()
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{
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}
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const
std::map<std::size_t, std::map<std::size_t, std::size_t>> &
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SpecXtractMap::getMapSimilarities
()
const
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{
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return
m_mapSimilarities
;
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}
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void
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SpecXtractMap::clear
()
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{
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m_mapSimilarities
.clear();
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}
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}
// namespace spectree
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}
// namespace pappso
pappso::spectree::SpecXtractInterface::~SpecXtractInterface
virtual ~SpecXtractInterface()
Definition
specxtractinterface.cpp:49
pappso::spectree::SpecXtractInterface::SpecXtractInterface
SpecXtractInterface()
Definition
specxtractinterface.cpp:45
pappso::spectree::SpecXtractInterface::beginItemCartExtraction
virtual void beginItemCartExtraction(std::size_t cart_id_a)
Definition
specxtractinterface.cpp:58
pappso::spectree::SpecXtractInterface::endItemCartExtraction
virtual void endItemCartExtraction(std::size_t cart_id_a)
Definition
specxtractinterface.cpp:54
pappso::spectree::SpecXtractMap::~SpecXtractMap
virtual ~SpecXtractMap()
Definition
specxtractinterface.cpp:82
pappso::spectree::SpecXtractMap::reportSimilarity
void reportSimilarity(std::size_t cart_id_a, std::size_t cart_id_b, std::size_t similarity) override
Definition
specxtractinterface.cpp:63
pappso::spectree::SpecXtractMap::clear
void clear()
Definition
specxtractinterface.cpp:93
pappso::spectree::SpecXtractMap::SpecXtractMap
SpecXtractMap()
Definition
specxtractinterface.cpp:78
pappso::spectree::SpecXtractMap::m_mapSimilarities
std::map< std::size_t, std::map< std::size_t, std::size_t > > m_mapSimilarities
Definition
specxtractinterface.h:101
pappso::spectree::SpecXtractMap::getMapSimilarities
const std::map< std::size_t, std::map< std::size_t, std::size_t > > & getMapSimilarities() const
Definition
specxtractinterface.cpp:87
pappso::spectree
Definition
bucket.cpp:43
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition
aa.cpp:39
specxtractinterface.h
pappsomspp
core
processing
spectree
specxtractinterface.cpp
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