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/* BEGIN software license |
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* |
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* MsXpertSuite - mass spectrometry software suite |
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* ----------------------------------------------- |
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* Copyright (C) 2009--2020 Filippo Rusconi |
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* |
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* http://www.msxpertsuite.org |
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* |
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* This file is part of the MsXpertSuite project. |
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* |
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* The MsXpertSuite project is the successor of the massXpert project. This |
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* project now includes various independent modules: |
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* |
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* - massXpert, model polymer chemistries and simulate mass spectrometric data; |
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* - mineXpert, a powerful TIC chromatogram/mass spectrum viewer/miner; |
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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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* END software license |
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*/ |
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/////////////////////// Std lib includes |
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/////////////////////// Qt includes |
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#include <QDebug> |
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#include <QFileInfo> |
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/////////////////////// IsoSpec |
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/////////////////////// Local includes |
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#include "MassDataCborMassSpectrumHandler.hpp" |
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namespace MsXpS |
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{ |
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namespace libXpertMass |
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{ |
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// FIXME TODO DOCUMENTATION |
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MassDataCborMassSpectrumHandler::MassDataCborMassSpectrumHandler( |
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QObject *parent_p) |
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: MassDataCborBaseHandler(parent_p) |
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{ |
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} |
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// When providing a Trace, it is implicit that this is to write that to file. |
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MassDataCborMassSpectrumHandler::MassDataCborMassSpectrumHandler( |
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QObject *parent_p, const pappso::Trace &trace) |
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: MassDataCborBaseHandler(parent_p), m_trace(trace) |
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{ |
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} |
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MassDataCborMassSpectrumHandler::~MassDataCborMassSpectrumHandler() |
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{ |
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} |
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bool |
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MassDataCborMassSpectrumHandler::writeFile(const QString &output_file_name) |
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{ |
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// The format for this kind of CBOR pappso::Trace data is the following: |
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// First the quint64 that represents MassDataType. In our specific case, that |
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// must be MassDataType::MASS_SPECTRUM. |
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// Then there is the title of data, which is according to the specification: |
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// |
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// Major type 3: a text string, specifically a string of Unicode characters |
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// that is encoded as UTF-8 (that is, not a QByteArray, but a QString). |
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// Then there is a MAP with the following key/value pairs: |
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// start_map |
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// "X_LABEL" / value (text string) |
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// "Y_LABEL" / value (text string) |
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// |
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// "X_DATA" / value (base64 ByteArray) |
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// "Y_DATA" / value (base64 ByteArray) |
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// end_map |
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QString local_file_name = output_file_name; |
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if(local_file_name.isEmpty()) |
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local_file_name = m_outputFileName; |
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QFile file(local_file_name); |
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bool res = file.open(QIODevice::WriteOnly); |
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if(!res) |
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{ |
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qDebug() << "Failed to open the file for write."; |
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return false; |
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} |
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msp_writer = std::make_shared<QCborStreamWriter>(&file); |
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// qDebug() << "Now writing data to file:" << local_file_name; |
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// Start of array containing all mapped items |
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msp_writer->startMap(7); |
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// First the MassDataType: this is the very *first* data bit in the data |
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// stream. |
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msp_writer->append("DATA_TYPE"); |
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msp_writer->append(static_cast<quint64>(MassDataType::MASS_SPECTRUM)); |
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msp_writer->append("TITLE"); |
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msp_writer->append(m_title); |
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msp_writer->append("TRACE_COLOR"); |
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msp_writer->append(m_colorByteArray); |
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msp_writer->append("X_LABEL"); |
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msp_writer->append("m/z"); |
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msp_writer->append("X_DATA"); |
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msp_writer->append(m_trace.xAsBase64Encoded()); |
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msp_writer->append("Y_LABEL"); |
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msp_writer->append("intensity"); |
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msp_writer->append("Y_DATA"); |
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msp_writer->append(m_trace.yAsBase64Encoded()); |
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msp_writer->endMap(); |
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// Close the map now. |
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file.close(); |
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return res; |
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} |
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void |
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MassDataCborMassSpectrumHandler::writeByteArray(QByteArray &byte_array) |
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{ |
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msp_writer = std::make_shared<QCborStreamWriter>(&byte_array); |
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// qDebug() << "Now writing data byte array."; |
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// Start of array containing all mapped items |
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msp_writer->startMap(7); |
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// First the MassDataType: this is the very *first* data bit in the data |
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// stream. |
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msp_writer->append("DATA_TYPE"); |
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msp_writer->append(static_cast<quint64>(MassDataType::MASS_SPECTRUM)); |
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msp_writer->append("TITLE"); |
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msp_writer->append(m_title); |
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msp_writer->append("TRACE_COLOR"); |
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msp_writer->append(m_colorByteArray); |
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msp_writer->append("X_LABEL"); |
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msp_writer->append("m/z"); |
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msp_writer->append("X_DATA"); |
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msp_writer->append(m_trace.xAsBase64Encoded()); |
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msp_writer->append("Y_LABEL"); |
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msp_writer->append("intensity"); |
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msp_writer->append("Y_DATA"); |
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msp_writer->append(m_trace.yAsBase64Encoded()); |
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msp_writer->endMap(); |
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// Close the map now. |
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} |
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bool |
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MassDataCborMassSpectrumHandler::readContext(QCborStreamReaderSPtr &reader_sp) |
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{ |
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// The format for this kind of CBOR pappso::Trace data is the following: |
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// The whole file is actually a map that contains the key/value |
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// pairs below. |
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// The text string values below are described in this way in the specif: |
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// Major type 3: a text string, specifically a string of Unicode characters |
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// that is encoded as UTF-8 (that is, not a QByteArray, but a QString). |
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// The containers, map, strings and byte arrays dot not need the reader to |
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// explicitely advance to next(). |
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// The simple value, like integers, do need that reader's next() call. |
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// So now, the MAP with the following key/value pairs: |
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// start_map |
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// "DATA_TYPE" / value (quint64) |
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// "TITLE" / value (text string) |
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// "X_LABEL" / value (text string) |
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// "Y_LABEL" / value (text string) |
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// |
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// "X_DATA" / value (base64 ByteArray) |
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// "Y_DATA" / value (base64 ByteArray) |
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// end_map |
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// These are needed to store the x and y data as two different byte arrays. |
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while(reader_sp->lastError() == QCborError::NoError && reader_sp->hasNext()) |
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{ |
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QCborStreamReader::Type type = reader_sp->type(); |
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// qDebug() << "Type is:" << type; |
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if(type == QCborStreamReader::UnsignedInteger) |
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{ |
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// In this format, the QCborStreamReader::UnsignedInteger datum is |
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// only got as the very first data bit in the file. This bit of |
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// information is a quint64 representing MassDataType::MASS_SPECTRUM. |
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// Now check that the read value actually corresponds to the expected |
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// mass data type for which this object is working! |
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if(m_currentKey == "DATA_TYPE") |
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{ |
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// quint64 data_type = 0; |
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// data_type = reader_sp->toUnsignedInteger(); |
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// qDebug() << "The mass data type:" << data_type; |
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if(static_cast<MassDataType>(reader_sp->toUnsignedInteger()) != |
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MassDataType::MASS_SPECTRUM) |
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{ |
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qDebug() |
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<< "The expected DATA_TYPE::MASS_SPECTRUM was not found."; |
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return false; |
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} |
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m_massDataType = MassDataType::MASS_SPECTRUM; |
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m_currentKey = QString(); |
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} |
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// qDebug() << "At this point, check if it has next:" |
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//<< reader_sp->hasNext(); |
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// We had what we wanted, go to next. |
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reader_sp->next(); |
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} |
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else if(type == QCborStreamReader::String) |
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{ |
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// Read a CBOR string, concatenating all |
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// the chunks into a single string. |
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QString str; |
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auto chunk = reader_sp->readString(); |
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while(chunk.status == QCborStreamReader::Ok) |
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{ |
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str += chunk.data; |
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chunk = reader_sp->readString(); |
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} |
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if(chunk.status == QCborStreamReader::Error) |
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{ |
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// handle error condition |
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qDebug() << "There was an error reading string chunk."; |
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str.clear(); |
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} |
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// qDebug() << "The string that was read:" << str; |
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// If the current key is empty, this string value is a new key or tag. |
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// Otherwise, it's a value. |
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if(m_currentKey.isEmpty()) |
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{ |
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// qDebug() << "Setting m_currentKey:" << str; |
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m_currentKey = str; |
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} |
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else |
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{ |
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// Depending on what we had already, we will set the proper member |
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// datum. |
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if(m_currentKey == "TITLE") |
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{ |
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// qDebug() << "Setting m_title:" << str; |
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m_title = str; |
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} |
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if(m_currentKey == "X_LABEL") |
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{ |
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// qDebug() << "Setting m_xLabel:" << str; |
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m_xLabel = str; |
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} |
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if(m_currentKey == "Y_LABEL") |
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{ |
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// qDebug() << "Setting m_yLabel:" << str; |
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m_yLabel = str; |
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} |
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// At this point we can reset m_currentKey. |
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m_currentKey = QString(); |
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} |
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} |
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// The ByteArray data for X_DATA and Y_DATA. |
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// They are preceded by the keys "X_DATA" and "Y_DATA" respectively. |
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else if(type == QCborStreamReader::ByteArray) |
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{ |
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// Read a byte array. That could be either the X_DATA or the Y_DATA. |
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QByteArray array; |
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auto chunk = reader_sp->readByteArray(); |
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while(chunk.status == QCborStreamReader::Ok) |
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{ |
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array.append(chunk.data); |
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chunk = reader_sp->readByteArray(); |
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} |
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if(m_currentKey == "X_DATA") |
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{ |
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m_xBase64Data = array; |
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} |
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else if(m_currentKey == "Y_DATA") |
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{ |
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m_yBase64Data = array; |
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} |
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else if(m_currentKey == "TRACE_COLOR") |
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{ |
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m_colorByteArray = array; |
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} |
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else |
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{ |
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qDebug() << "Error in the data read from file."; |
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return false; |
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} |
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m_currentKey = QString(); |
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} |
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// The MAP has the following key/value pairs: |
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// start_map |
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// "TITLE" / value (text string) |
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// "X_LABEL" / value (text string) |
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// "Y_LABEL" / value (text string) |
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// |
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// "X_DATA" / value (base64 ByteArray) |
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// "Y_DATA" / value (base64 ByteArray) |
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// end_map |
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else if(type == QCborStreamReader::Map) |
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{ |
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✗ |
reader_sp->enterContainer(); |
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// Read elements until end of map is reached |
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bool res = readContext(reader_sp); |
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if(res) |
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reader_sp->leaveContainer(); |
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else |
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return false; |
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} |
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else |
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{ |
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// Ignore all other types, go to the next element |
389 |
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✗ |
reader_sp->next(); |
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} |
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} |
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✗ |
if(reader_sp->lastError() != QCborError::NoError) |
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✗ |
qDebug() << "There was an error: " << reader_sp->lastError() |
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✗ |
<< "Returning false."; |
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|
|
|
397 |
|
|
// Return true if there were no errors |
398 |
|
|
// qDebug() << "Returning: " << !reader_sp->lastError(); |
399 |
|
|
|
400 |
|
✗ |
return !reader_sp->lastError(); |
401 |
|
|
} |
402 |
|
|
|
403 |
|
|
|
404 |
|
|
bool |
405 |
|
✗ |
MassDataCborMassSpectrumHandler::readByteArray(const QByteArray &byte_array) |
406 |
|
|
{ |
407 |
|
✗ |
msp_reader = std::make_shared<QCborStreamReader>(byte_array); |
408 |
|
|
|
409 |
|
✗ |
bool res = readContext(msp_reader); |
410 |
|
|
|
411 |
|
|
// qDebug() << "After finishing the read, m_title is:" << m_title |
412 |
|
|
//<< "and mass data type is:" << static_cast<quint64>(m_massDataType); |
413 |
|
|
|
414 |
|
|
// At this point we need to decode the arrays and with the data initialize the |
415 |
|
|
// pappso::Trace. |
416 |
|
|
|
417 |
|
✗ |
QByteArray x_array; |
418 |
|
✗ |
QByteArray y_array; |
419 |
|
|
|
420 |
|
|
QByteArray::FromBase64Result decoding_result = QByteArray::fromBase64Encoding( |
421 |
|
✗ |
m_xBase64Data, QByteArray::Base64Encoding | QByteArray::OmitTrailingEquals); |
422 |
|
|
|
423 |
|
✗ |
if(decoding_result.decodingStatus == QByteArray::Base64DecodingStatus::Ok) |
424 |
|
✗ |
x_array = decoding_result.decoded; |
425 |
|
|
else |
426 |
|
|
{ |
427 |
|
✗ |
qDebug() << "Failed to decode the " << m_xLabel << "data"; |
428 |
|
✗ |
return false; |
429 |
|
|
} |
430 |
|
|
|
431 |
|
✗ |
decoding_result = QByteArray::fromBase64Encoding( |
432 |
|
✗ |
m_yBase64Data, QByteArray::Base64Encoding | QByteArray::OmitTrailingEquals); |
433 |
|
|
|
434 |
|
✗ |
if(decoding_result.decodingStatus == QByteArray::Base64DecodingStatus::Ok) |
435 |
|
✗ |
y_array = decoding_result.decoded; |
436 |
|
|
else |
437 |
|
|
{ |
438 |
|
✗ |
qDebug() << "Failed to decode the " << m_yLabel << "data"; |
439 |
|
✗ |
return false; |
440 |
|
|
} |
441 |
|
|
|
442 |
|
✗ |
m_trace.clear(); |
443 |
|
|
|
444 |
|
✗ |
m_trace.initialize(QString(x_array), QString(y_array)); |
445 |
|
|
|
446 |
|
✗ |
return res; |
447 |
|
✗ |
} |
448 |
|
|
|
449 |
|
|
|
450 |
|
|
bool |
451 |
|
✗ |
MassDataCborMassSpectrumHandler::readFile(const QString &input_file_name) |
452 |
|
|
{ |
453 |
|
|
// The format for this kind of CBOR pappso::Trace data is the following: |
454 |
|
|
|
455 |
|
|
// First the quint64 that represents MassDataType. In our specific case, that |
456 |
|
|
// must be MassDataType::MASS_SPECTRUM. |
457 |
|
|
|
458 |
|
|
// Then there is the title of data, which is according to the specification: |
459 |
|
|
// |
460 |
|
|
// Major type 3: a text string, specifically a string of Unicode characters |
461 |
|
|
// that is encoded as UTF-8 (that is, not a QByteArray, but a QString). |
462 |
|
|
|
463 |
|
|
// Then there is a MAP with the following key/value pairs: |
464 |
|
|
|
465 |
|
|
// start_map |
466 |
|
|
|
467 |
|
|
// "X_LABEL" / value (text string) |
468 |
|
|
// "Y_LABEL" / value (text string) |
469 |
|
|
// |
470 |
|
|
// "X_DATA" / value (base64 ByteArray) |
471 |
|
|
// "Y_DATA" / value (base64 ByteArray) |
472 |
|
|
|
473 |
|
|
// end_map |
474 |
|
|
|
475 |
|
|
|
476 |
|
✗ |
QString local_file_name = input_file_name; |
477 |
|
|
|
478 |
|
✗ |
if(local_file_name.isEmpty()) |
479 |
|
✗ |
local_file_name = m_inputFileName; |
480 |
|
|
|
481 |
|
✗ |
QFileInfo file_info(local_file_name); |
482 |
|
|
|
483 |
|
✗ |
if(!file_info.exists()) |
484 |
|
|
{ |
485 |
|
✗ |
qDebug() << "File not found."; |
486 |
|
✗ |
return false; |
487 |
|
|
} |
488 |
|
|
|
489 |
|
✗ |
QFile file(local_file_name); |
490 |
|
|
|
491 |
|
✗ |
bool res = file.open(QIODevice::ReadOnly); |
492 |
|
|
|
493 |
|
✗ |
if(!res) |
494 |
|
|
{ |
495 |
|
✗ |
qDebug() << "Failed to open the file for read."; |
496 |
|
✗ |
return false; |
497 |
|
|
} |
498 |
|
|
|
499 |
|
|
// qDebug() << "Now starting the CBOR data read."; |
500 |
|
|
|
501 |
|
✗ |
msp_reader = std::make_shared<QCborStreamReader>(&file); |
502 |
|
|
|
503 |
|
✗ |
res = readContext(msp_reader); |
504 |
|
|
|
505 |
|
✗ |
file.close(); |
506 |
|
|
|
507 |
|
|
// qDebug() << "After finishing the read, m_title is:" << m_title |
508 |
|
|
//<< "and mass data type is:" << static_cast<quint64>(m_massDataType); |
509 |
|
|
|
510 |
|
|
// At this point we need to decode the arrays and with the data initialize the |
511 |
|
|
// pappso::Trace. |
512 |
|
|
|
513 |
|
✗ |
QByteArray x_array; |
514 |
|
✗ |
QByteArray y_array; |
515 |
|
|
|
516 |
|
|
QByteArray::FromBase64Result decoding_result = QByteArray::fromBase64Encoding( |
517 |
|
✗ |
m_xBase64Data, QByteArray::Base64Encoding | QByteArray::OmitTrailingEquals); |
518 |
|
|
|
519 |
|
✗ |
if(decoding_result.decodingStatus == QByteArray::Base64DecodingStatus::Ok) |
520 |
|
✗ |
x_array = decoding_result.decoded; |
521 |
|
|
else |
522 |
|
|
{ |
523 |
|
✗ |
qDebug() << "Failed to decode the " << m_xLabel << "data"; |
524 |
|
✗ |
return false; |
525 |
|
|
} |
526 |
|
|
|
527 |
|
✗ |
decoding_result = QByteArray::fromBase64Encoding( |
528 |
|
✗ |
m_yBase64Data, QByteArray::Base64Encoding | QByteArray::OmitTrailingEquals); |
529 |
|
|
|
530 |
|
✗ |
if(decoding_result.decodingStatus == QByteArray::Base64DecodingStatus::Ok) |
531 |
|
✗ |
y_array = decoding_result.decoded; |
532 |
|
|
else |
533 |
|
|
{ |
534 |
|
✗ |
qDebug() << "Failed to decode the " << m_yLabel << "data"; |
535 |
|
✗ |
return false; |
536 |
|
|
} |
537 |
|
|
|
538 |
|
✗ |
m_trace.clear(); |
539 |
|
|
|
540 |
|
✗ |
m_trace.initialize(QString(x_array), QString(y_array)); |
541 |
|
|
|
542 |
|
✗ |
return res; |
543 |
|
✗ |
} |
544 |
|
|
|
545 |
|
|
|
546 |
|
|
void |
547 |
|
✗ |
MassDataCborMassSpectrumHandler::setXLabel(const QString &label) |
548 |
|
|
{ |
549 |
|
✗ |
m_xLabel = label; |
550 |
|
✗ |
} |
551 |
|
|
|
552 |
|
|
|
553 |
|
|
QString |
554 |
|
✗ |
MassDataCborMassSpectrumHandler::getXLabel() const |
555 |
|
|
{ |
556 |
|
✗ |
return m_xLabel; |
557 |
|
|
} |
558 |
|
|
|
559 |
|
|
|
560 |
|
|
void |
561 |
|
✗ |
MassDataCborMassSpectrumHandler::setYLabel(const QString &label) |
562 |
|
|
{ |
563 |
|
✗ |
m_yLabel = label; |
564 |
|
✗ |
} |
565 |
|
|
|
566 |
|
|
|
567 |
|
|
QString |
568 |
|
✗ |
MassDataCborMassSpectrumHandler::getYLabel() const |
569 |
|
|
{ |
570 |
|
✗ |
return m_yLabel; |
571 |
|
|
} |
572 |
|
|
|
573 |
|
|
void |
574 |
|
✗ |
MassDataCborMassSpectrumHandler::setTrace(const pappso::Trace &trace) |
575 |
|
|
{ |
576 |
|
✗ |
m_trace = trace; |
577 |
|
✗ |
} |
578 |
|
|
|
579 |
|
|
|
580 |
|
|
pappso::Trace |
581 |
|
✗ |
MassDataCborMassSpectrumHandler::getTrace() const |
582 |
|
|
{ |
583 |
|
✗ |
return m_trace; |
584 |
|
|
}; |
585 |
|
|
|
586 |
|
|
|
587 |
|
|
void |
588 |
|
✗ |
MassDataCborMassSpectrumHandler::clearTrace() |
589 |
|
|
{ |
590 |
|
✗ |
m_trace.clear(); |
591 |
|
✗ |
} |
592 |
|
|
|
593 |
|
|
|
594 |
|
|
void |
595 |
|
✗ |
MassDataCborMassSpectrumHandler::setTraceColor( |
596 |
|
|
const QByteArray &color_byte_array) |
597 |
|
|
{ |
598 |
|
✗ |
m_colorByteArray = color_byte_array; |
599 |
|
✗ |
} |
600 |
|
|
|
601 |
|
|
|
602 |
|
|
QByteArray |
603 |
|
✗ |
MassDataCborMassSpectrumHandler::getTraceColor() const |
604 |
|
|
{ |
605 |
|
✗ |
return m_colorByteArray; |
606 |
|
|
} |
607 |
|
|
|
608 |
|
|
|
609 |
|
|
} // namespace libXpertMass |
610 |
|
|
|
611 |
|
|
|
612 |
|
|
} // namespace MsXpS |
613 |
|
|
|
614 |
|
|
|