1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144
|
/*******************************************************************************
* Copyright (c) 2018 Olivier Langella <Olivier.Langella@u-psud.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/>.
*
* Contributors:
* Olivier Langella <Olivier.Langella@u-psud.fr> - initial API and
*implementation
******************************************************************************/
//./tests/catch2-only-tests [XICextractor] -s
#include <catch2/catch_test_macros.hpp>
#include <iostream>
#include <odsstream/odsdocreader.h>
#include <odsstream/odsdocwriter.h>
#include <pappsomspp/core/pappsoexception.h>
#include <pappsomspp/core/msfile/msfileaccessor.h>
#include <pappsomspp/core/xicextractor/msrunxicextractorfactory.h>
#include <pappsomspp/core/processing/uimonitor/uimonitortext.h>
#include <pappsomspp/core/processing/uimonitor/uimonitortext.h>
#include <QDebug>
#include <QElapsedTimer>
#include <QtCore>
#include <QFile>
#include "config.h"
// #include "common.h"
// make test ARGS="-V -I 19,19"
using namespace std;
TEST_CASE("XIC extractor test suite.", "[XICextractor]")
{
// Set the debugging message formatting pattern.
qSetMessagePattern(QString("%{file}@%{line}, %{function}(): %{message}"));
// QCoreApplication a(argc, argv);
SECTION("..:: Test XIC ::..", "[extract_1_A01]")
{
qDebug() << "init test XIC";
// QCoreApplication a(argc, argv);
qDebug() << "init test XIC extractor";
std::cout << std::endl << "..:: Test XIC ::.." << std::endl;
QElapsedTimer timer;
#if USEPAPPSOTREE == 1
pappso::MsFileAccessor file_access(
"/gorgone/pappso/data_extraction_pappso/mzXML/"
//"/home/langella/data1/mzxml/"
"20120906_balliau_extract_1_A01_urnb-1.mzXML",
"file");
pappso::MsRunReaderSPtr msrun = file_access.getMsRunReaderSPtrByRunId("", "runa1");
pappso::MsRunXicExtractorFactory::getInstance().setTmpDir("/tmp");
pappso::MzRange mass_range(600, pappso::PrecisionFactory::getPpmInstance(10));
pappso::XicCoordSPtr xic_coord = msrun.get()->newXicCoordSPtrFromSpectrumIndex(
3000, pappso::PrecisionFactory::getPpmInstance(10));
xic_coord.get()->mzRange = mass_range;
std::vector<pappso::XicCoordSPtr> xic_coord_list;
xic_coord_list.push_back(xic_coord.get()->initializeAndClone());
// MassRange mass_range_b(600.2, Precision::getPpmInstance(10));
pappso::MsRunXicExtractorInterfaceSp extractor_pwiz =
pappso::MsRunXicExtractorFactory::getInstance().buildMsRunXicExtractorSp(msrun);
extractor_pwiz->setXicExtractMethod(pappso::Enums::XicExtractMethod::max);
QTextStream outputStream(stdout, QIODevice::WriteOnly);
pappso::UiMonitorText monitor(outputStream);
extractor_pwiz.get()->extractXicCoordSPtrList(monitor, xic_coord_list);
pappso::XicCstSPtr xic_pwiz = xic_coord_list[0].get()->xicSptr;
std::cout << std::endl << "..:: XIC extractor pwiz is OK ::.." << std::endl;
std::cout << std::endl << "building XicExtractorDiskSp .." << std::endl;
timer.start();
pappso::MsRunXicExtractorFactory::getInstance().setMsRunXicExtractorFactoryType(
pappso::MsRunXicExtractorFactoryType::disk);
pappso::MsRunXicExtractorInterfaceSp extractor_disk =
pappso::MsRunXicExtractorFactory::getInstance().buildMsRunXicExtractorSp(msrun);
std::cout << std::endl
<< "XicExtractorDiskSp built " << timer.elapsed() / 1000 << " seconds" << std::endl;
xic_coord_list.clear();
xic_coord_list.push_back(xic_coord.get()->initializeAndClone());
extractor_disk.get()->extractXicCoordSPtrList(monitor, xic_coord_list);
pappso::XicCstSPtr xic_disk = xic_coord_list[0].get()->xicSptr;
REQUIRE(*xic_pwiz == *xic_disk);
std::cout << std::endl << "..:: XIC extractor on disk is OK ::.." << std::endl;
// return 0;
std::cout << std::endl << "building XicExtractorDiskBufferSp .." << std::endl;
timer.restart();
pappso::MsRunXicExtractorFactory::getInstance().setMsRunXicExtractorFactoryType(
pappso::MsRunXicExtractorFactoryType::diskbuffer);
pappso::MsRunXicExtractorInterfaceSp extractor_buffer =
pappso::MsRunXicExtractorFactory::getInstance().buildMsRunXicExtractorSp(msrun);
std::cout << std::endl
<< "XicExtractorDiskBufferSp built " << timer.elapsed() / 1000 << " seconds"
<< std::endl;
xic_coord_list.clear();
xic_coord_list.push_back(xic_coord.get()->initializeAndClone());
extractor_buffer.get()->extractXicCoordSPtrList(monitor, xic_coord_list);
pappso::XicCstSPtr xic_buffer = xic_coord_list[0].get()->xicSptr;
REQUIRE(*xic_pwiz == *xic_buffer);
std::cout << std::endl << "..:: XIC extractor buffered on disk is OK ::.." << std::endl;
#endif
}
}
|