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//
// File: test_c13n15.cpp
// Created by: Olivier Langella
// Created on: 12/7/2023
//
/*******************************************************************************
* Copyright (c) 2023 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/>.
*
******************************************************************************/
// ./tests/proteincode/catch2-only-proteincode [self] -s
#include <catch2/catch_test_macros.hpp>
#include <catch2/matchers/catch_matchers_vector.hpp>
#include "../common.h"
#include "tests/tests-config.h"
#include "proteincode_lib.h"
#include <QDebug>
#include <pappsomspp/core/exception/exceptionnotfound.h>
#include <pappsomspp/core/exception/exceptionoutofrange.h>
#include <pappsomspp/core/processing/specself/selfspectrum.h>
TEST_CASE("self spectrum test suite.", "[self]")
{
// Set the debugging message formatting pattern.
qSetMessagePattern(QString("%{file}@%{line}, %{function}(): %{message}"));
SECTION("..:: self spectrum ::..", "[self]")
{
pappso::MassSpectrum spectrum = readMgf(
QString(CMAKE_SOURCE_DIR).append("/tests/data/peaklist_15046.mgf"));
pappso::AaCode aa_code;
aa_code.addAaModification('C',
pappso::AaModification::getInstance("MOD:00397"));
pappso::AaStringCodec aa_codec(aa_code);
pappso::AaStringCodeMassMatching aaMatching(
aa_code, 5, pappso::PrecisionFactory::getDaltonInstance(0.01));
qDebug();
pappso::specself::SelfSpectrum self_spectrum(aaMatching, spectrum);
qDebug();
writeSelfSpectrum("self_spectrum_15046.ods", self_spectrum, aa_codec);
}
}
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