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C++ FileHandler::loadExperiment方法代码示例

本文整理汇总了C++中FileHandler::loadExperiment方法的典型用法代码示例。如果您正苦于以下问题:C++ FileHandler::loadExperiment方法的具体用法?C++ FileHandler::loadExperiment怎么用?C++ FileHandler::loadExperiment使用的例子?那么, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在FileHandler的用法示例。


在下文中一共展示了FileHandler::loadExperiment方法的8个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的C++代码示例。

示例1: main_

  ExitCodes main_(int, const char**)
  {
    // parsing parameters
    String in(getStringOption_("in"));
    String feature_in(getStringOption_("feature_in"));
    String out(getStringOption_("out"));
    double precursor_mass_tolerance(getDoubleOption_("precursor_mass_tolerance"));

    // reading input
    FileHandler fh;
    FileTypes::Type in_type = fh.getType(in);

    PeakMap exp;
    fh.loadExperiment(in, exp, in_type, log_type_, false, false);
    exp.sortSpectra();

    FeatureMap feature_map;
    if (feature_in != "")
    {
      FeatureXMLFile().load(feature_in, feature_map);
    }

    // calculations
    FeatureFinderAlgorithmIsotopeWavelet iso_ff;
    Param ff_param(iso_ff.getParameters());
    ff_param.setValue("max_charge", getIntOption_("max_charge"));
    ff_param.setValue("intensity_threshold", getDoubleOption_("intensity_threshold"));
    iso_ff.setParameters(ff_param);

    FeatureFinder ff;
    ff.setLogType(ProgressLogger::NONE);

    PeakMap exp2 = exp;
    exp2.clear(false);
    for (PeakMap::ConstIterator it = exp.begin(); it != exp.end(); ++it)
    {
      if (it->size() != 0)
      {
        exp2.addSpectrum(*it);
      }
    }

    exp = exp2;
    exp.updateRanges();

    // TODO check MS2 and MS1 counts
    ProgressLogger progresslogger;
    progresslogger.setLogType(log_type_);
    progresslogger.startProgress(0, exp.size(), "Correcting precursor masses");
    for (PeakMap::Iterator it = exp.begin(); it != exp.end(); ++it)
    {
      progresslogger.setProgress(exp.end() - it);
      if (it->getMSLevel() != 2)
      {
        continue;
      }
      // find first MS1 scan of the MS/MS scan
      PeakMap::Iterator ms1_it = it;
      while (ms1_it != exp.begin() && ms1_it->getMSLevel() != 1)
      {
        --ms1_it;
      }
      if (ms1_it == exp.begin() && ms1_it->getMSLevel() != 1)
      {
        writeLog_("Did not find a MS1 scan to the MS/MS scan at RT=" + String(it->getRT()));
        continue;
      }
      if (ms1_it->size() == 0)
      {
        writeDebug_("No peaks in scan at RT=" + String(ms1_it->getRT()) + String(", skipping"), 1);
        continue;
      }

      PeakMap::Iterator ms2_it = ms1_it;
      ++ms2_it;

      while (ms2_it != exp.end() && ms2_it->getMSLevel() == 2)
      {
        // first: error checks
        if (ms2_it->getPrecursors().empty())
        {
          writeDebug_("Warning: found no precursors of spectrum RT=" + String(ms2_it->getRT()) + ", skipping it.", 1);
          ++ms2_it;
          continue;
        }
        else if (ms2_it->getPrecursors().size() > 1)
        {
          writeLog_("Warning: found more than one precursor of spectrum RT=" + String(ms2_it->getRT()) + ", using first one.");
        }

        Precursor prec = *ms2_it->getPrecursors().begin();
        double prec_pos = prec.getMZ();

        PeakMap new_exp;
        // now excise small region from the MS1 spec for the feature finder (isotope pattern must be covered...)
        PeakSpectrum zoom_spec;
        for (PeakSpectrum::ConstIterator pit = ms1_it->begin(); pit != ms1_it->end(); ++pit)
        {
          if (pit->getMZ() > prec_pos - 3 && pit->getMZ() < prec_pos + 3)
          {
//.........这里部分代码省略.........
开发者ID:FabianAicheler,项目名称:OpenMS,代码行数:101,代码来源:PrecursorMassCorrector.cpp

示例2: main_


//.........这里部分代码省略.........
      // and not the suffix or content of a single file
      force_type = FileTypes::nameToType(getStringOption_("in_type"));

      //rt
      bool rt_auto_number = getFlag_("raw:rt_auto");
      bool rt_filename = getFlag_("raw:rt_filename");
      bool rt_custom = false;
      DoubleList custom_rts = getDoubleList_("raw:rt_custom");
      if (custom_rts.size() != 0)
      {
        rt_custom = true;
        if (custom_rts.size() != file_list.size())
        {
          writeLog_("Custom retention time list must have as many elements as there are input files!");
          printUsage_();
          return ILLEGAL_PARAMETERS;
        }
      }

      //ms level
      bool user_ms_level = getFlag_("raw:user_ms_level");

      MSExperiment<> out;
      out.reserve(file_list.size());
      UInt rt_auto = 0;
      UInt native_id = 0;
      std::vector<MSChromatogram<ChromatogramPeak> > all_chromatograms;
      for (Size i = 0; i < file_list.size(); ++i)
      {
        String filename = file_list[i];

        //load file
        MSExperiment<> in;
        fh.loadExperiment(filename, in, force_type, log_type_);
        if (in.empty() && in.getChromatograms().empty())
        {
          writeLog_(String("Warning: Empty file '") + filename + "'!");
          continue;
        }
        out.reserve(out.size() + in.size());

        //warn if custom RT and more than one scan in input file
        if (rt_custom && in.size() > 1)
        {
          writeLog_(String("Warning: More than one scan in file '") + filename + "'! All scans will have the same retention time!");
        }

        for (MSExperiment<>::const_iterator it2 = in.begin(); it2 != in.end(); ++it2)
        {
          //handle rt
          Real rt_final = it2->getRT();
          if (rt_auto_number)
          {
            rt_final = ++rt_auto;
          }
          else if (rt_custom)
          {
            rt_final = custom_rts[i];
          }
          else if (rt_filename)
          {
            if (!filename.hasSubstring("rt"))
            {
              writeLog_(String("Warning: cannot guess retention time from filename as it does not contain 'rt'"));
            }
            for (Size i = 0; i < filename.size(); ++i)
开发者ID:aiche,项目名称:open-ms-mirror,代码行数:67,代码来源:FileMerger.C

示例3: loadExperiment

FileHandler tmp;
TEST_EQUAL(tmp.getType(OPENMS_GET_TEST_DATA_PATH("header_file.h")), FileTypes::UNKNOWN)
TEST_EQUAL(tmp.getType(OPENMS_GET_TEST_DATA_PATH("class_test_infile.txt")), FileTypes::TXT)
TEST_EQUAL(tmp.getType(OPENMS_GET_TEST_DATA_PATH("IdXMLFile_whole.idXML")), FileTypes::IDXML)
TEST_EQUAL(tmp.getType(OPENMS_GET_TEST_DATA_PATH("ConsensusXMLFile.consensusXML")), FileTypes::CONSENSUSXML)
TEST_EQUAL(tmp.getType(OPENMS_GET_TEST_DATA_PATH("TransformationXMLFile_1.trafoXML")), FileTypes::TRANSFORMATIONXML)
TEST_EQUAL(tmp.getType(OPENMS_GET_TEST_DATA_PATH("FileHandler_toppas.toppas")), FileTypes::TOPPAS)
TEST_EQUAL(tmp.getType(OPENMS_GET_TEST_DATA_PATH("pepnovo.txt")), FileTypes::TXT)

TEST_EXCEPTION(Exception::FileNotFound, tmp.getType("/bli/bla/bluff"))
END_SECTION

START_SECTION((template < class PeakType > bool loadExperiment(const String &filename, MSExperiment< PeakType > &exp, FileTypes::Type force_type=FileTypes::UNKNOWN, ProgressLogger::LogType log=ProgressLogger::NONE, const bool compute_hash=true)))
FileHandler tmp;
PeakMap exp;
TEST_EQUAL(tmp.loadExperiment("test.bla", exp), false)
TEST_EQUAL(tmp.loadExperiment(OPENMS_GET_TEST_DATA_PATH("DTAFile_test.dta"), exp), true)

TEST_EQUAL(tmp.loadExperiment(OPENMS_GET_TEST_DATA_PATH("MzDataFile_1.mzData"), exp), true)
TEST_REAL_SIMILAR(exp[1][0].getPosition()[0], 110)
TEST_REAL_SIMILAR(exp[1][1].getPosition()[0], 120)
TEST_REAL_SIMILAR(exp[1][2].getPosition()[0], 130)

// starts with 110, so this one should skip the first
tmp.getOptions().setMZRange(DRange<1>(115, 1000));
TEST_EQUAL(tmp.loadExperiment(OPENMS_GET_TEST_DATA_PATH("MzDataFile_1.mzData"), exp), true)
TEST_REAL_SIMILAR(exp[1][0].getPosition()[0], 120)
TEST_REAL_SIMILAR(exp[1][1].getPosition()[0], 130)

tmp.getOptions() = PeakFileOptions();
TEST_EQUAL(tmp.loadExperiment(OPENMS_GET_TEST_DATA_PATH("MzXMLFile_1.mzXML"), exp), true)
开发者ID:burlab,项目名称:OpenMS,代码行数:31,代码来源:FileHandler_test.cpp

示例4: main_

  ExitCodes main_(int argc, const char** argv)
  {
    //-------------------------------------------------------------
    // parameter handling
    //-------------------------------------------------------------

    //input/output files
    String in(getStringOption_("in")), out(getStringOption_("out"));
    FileHandler fh;
    FileTypes::Type in_type = fh.getType(in);

    //-------------------------------------------------------------
    // loading input
    //-------------------------------------------------------------

    PeakMap exp;
    // keep only MS2 spectra
    fh.getOptions().addMSLevel(2);
    fh.loadExperiment(in, exp, in_type, log_type_);
    writeDebug_(String("Spectra loaded: ") + exp.size(), 2);

    if (exp.getSpectra().empty())
    {
      throw OpenMS::Exception::FileEmpty(__FILE__, __LINE__, __FUNCTION__, "Error: No MS2 spectra in input file.");
    }

    // determine type of spectral data (profile or centroided)
    SpectrumSettings::SpectrumType spectrum_type = exp[0].getType();

    if (spectrum_type == SpectrumSettings::RAWDATA)
    {
      if (!getFlag_("force"))
      {
        throw OpenMS::Exception::IllegalArgument(__FILE__, __LINE__, __FUNCTION__, "Error: Profile data provided but centroided MS2 spectra expected. To enforce processing of the data set the -force flag.");
      }
    }

    //-------------------------------------------------------------
    // calculations
    //-------------------------------------------------------------

    Param mascot_param = getParam_().copy("Mascot_parameters:", true);
    MascotGenericFile mgf_file;
    Param p;
    // TODO: switch this to mzML (much smaller)
    p.setValue("internal:format", "Mascot generic", "Sets the format type of the peak list, this should not be changed unless you write the header only.", ListUtils::create<String>("advanced"));
    p.setValue("internal:HTTP_format", "true", "Write header with MIME boundaries instead of simple key-value pairs. For HTTP submission only.", ListUtils::create<String>("advanced"));
    p.setValue("internal:content", "all", "Use parameter header + the peak lists with BEGIN IONS... or only one of them.", ListUtils::create<String>("advanced"));
    mgf_file.setParameters(mascot_param);

    // get the spectra into string stream
    writeDebug_("Writing MGF file to stream", 1);
    stringstream ss;
    mgf_file.store(ss, in, exp, true); // write in compact format

    // Usage of a QCoreApplication is overkill here (and ugly too), but we just use the
    // QEventLoop to process the signals and slots and grab the results afterwards from
    // the MascotRemotQuery instance
    char** argv2 = const_cast<char**>(argv);
    QCoreApplication event_loop(argc, argv2);
    MascotRemoteQuery* mascot_query = new MascotRemoteQuery(&event_loop);
    Param mascot_query_param = getParam_().copy("Mascot_server:", true);
    writeDebug_("Setting parameters for Mascot query", 1);
    mascot_query->setParameters(mascot_query_param);
    writeDebug_("Setting spectra for Mascot query", 1);
    mascot_query->setQuerySpectra(ss.str());

    // remove unnecessary spectra
    ss.clear();

    QObject::connect(mascot_query, SIGNAL(done()), &event_loop, SLOT(quit()));
    QTimer::singleShot(1000, mascot_query, SLOT(run()));
    writeDebug_("Fire off Mascot query", 1);
    event_loop.exec();
    writeDebug_("Mascot query finished", 1);

    if (mascot_query->hasError())
    {
      writeLog_("An error occurred during the query: " + mascot_query->getErrorMessage());
      delete mascot_query;
      return EXTERNAL_PROGRAM_ERROR;
    }

    // write Mascot response to file
    String mascot_tmp_file_name(File::getTempDirectory() + "/" + File::getUniqueName() + "_Mascot_response");
    QFile mascot_tmp_file(mascot_tmp_file_name.c_str());
    mascot_tmp_file.open(QIODevice::WriteOnly);
    mascot_tmp_file.write(mascot_query->getMascotXMLResponse());
    mascot_tmp_file.close();

    // clean up
    delete mascot_query;

    vector<PeptideIdentification> pep_ids;
    ProteinIdentification prot_id;

    // set up mapping between scan numbers and retention times:
    MascotXMLFile::RTMapping rt_mapping;
    MascotXMLFile::generateRTMapping(exp.begin(), exp.end(), rt_mapping);

//.........这里部分代码省略.........
开发者ID:BioinformaticsArchive,项目名称:OpenMS,代码行数:101,代码来源:MascotAdapterOnline.cpp

示例5: if

  ExitCodes
  main_(int, const char**)
  {
    //-------------------------------------------------------------
    // general variables and data
    //-------------------------------------------------------------
    FileHandler fh;
    vector<PeptideIdentification> peptide_identifications;
    vector<ProteinIdentification> protein_identifications;

    //-------------------------------------------------------------
    // reading input
    //-------------------------------------------------------------
    const String in = getStringOption_("in");

    ProgressLogger logger;
    logger.setLogType(ProgressLogger::CMD);
    logger.startProgress(0, 1, "Loading...");

    if (File::isDirectory(in))
    {
      const String in_directory = File::absolutePath(in).ensureLastChar('/');
      const String mz_file = getStringOption_("mz_file");
      const bool ignore_proteins_per_peptide = getFlag_("ignore_proteins_per_peptide");

      UInt i = 0;
      FileHandler fh;
      FileTypes::Type type;
      MSExperiment<Peak1D> msexperiment;
      // Note: we had issues with leading zeroes, so let us represent scan numbers as Int (next line used to be map<String, float> num_and_rt;)  However, now String::toInt() might throw.
      map<Int, float> num_and_rt;
      vector<String> NativeID;

      // The mz-File (if given)
      if (!mz_file.empty())
      {
        type = fh.getTypeByFileName(mz_file);
        fh.loadExperiment(mz_file, msexperiment, type);

        for (MSExperiment<Peak1D>::Iterator spectra_it = msexperiment.begin(); spectra_it != msexperiment.end(); ++spectra_it)
        {
          String(spectra_it->getNativeID()).split('=', NativeID);
          try
          {
            num_and_rt[NativeID[1].toInt()] = spectra_it->getRT();
            // cout << "num_and_rt: " << NativeID[1] << " = " << NativeID[1].toInt() << " : " << num_and_rt[NativeID[1].toInt()] << endl; // CG debuggging 2009-07-01
          }
          catch (Exception::ConversionError& e)
          {
            writeLog_(String("Error: Cannot read scan number as integer. '") + e.getMessage());
          }
        }
      }

      // Get list of the actual Sequest .out-Files
      StringList in_files;
      if (!File::fileList(in_directory, String("*.out"), in_files))
      {
        writeLog_(String("Error: No .out files found in '") + in_directory + "'. Aborting!");
      }

      // Now get to work ...
      for (vector<String>::const_iterator in_files_it = in_files.begin(); in_files_it != in_files.end(); ++in_files_it)
      {
        vector<PeptideIdentification> peptide_ids_seq;
        ProteinIdentification protein_id_seq;
        vector<double> pvalues_seq;
        vector<String> in_file_vec;

        SequestOutfile sequest_outfile;

        writeDebug_(String("Reading file ") + *in_files_it, 3);

        try
        {
          sequest_outfile.load((String) (in_directory + *in_files_it), peptide_ids_seq, protein_id_seq, 1.0, pvalues_seq, "Sequest", ignore_proteins_per_peptide);

          in_files_it->split('.', in_file_vec);

          for (Size j = 0; j < peptide_ids_seq.size(); ++j)
          {

            // We have to explicitly set the identifiers, because the normal set ones are composed of search engine name and date, which is the same for a bunch of sequest out-files.
            peptide_ids_seq[j].setIdentifier(*in_files_it + "_" + i);

            Int scan_number = 0;
            if (!mz_file.empty())
            {
              try
              {
                scan_number = in_file_vec[2].toInt();
                peptide_ids_seq[j].setRT(num_and_rt[scan_number]);
              }
              catch (Exception::ConversionError& e)
              {
                writeLog_(String("Error: Cannot read scan number as integer. '") + e.getMessage());
              }
              catch (exception& e)
              {
                writeLog_(String("Error: Cannot read scan number as integer. '") + e.what());
//.........这里部分代码省略.........
开发者ID:BioinformaticsArchive,项目名称:OpenMS,代码行数:101,代码来源:IDFileConverter.cpp

示例6: main_


//.........这里部分代码省略.........
        writeLog_("Warning: Converting consensus features to peaks. You will lose information!");
        exp.set2DData(cm);
      }
    }
    else if (in_type == FileTypes::EDTA)
    {
      EDTAFile().load(in, cm);
      cm.sortByPosition();
      if ((out_type != FileTypes::FEATUREXML) &&
          (out_type != FileTypes::CONSENSUSXML))
      {
        // You you will lose information and waste memory. Enough reasons to issue a warning!
        writeLog_("Warning: Converting consensus features to peaks. You will lose information!");
        exp.set2DData(cm);
      }
    }
    else if (in_type == FileTypes::FEATUREXML ||
             in_type == FileTypes::TSV ||
             in_type == FileTypes::PEPLIST ||
             in_type == FileTypes::KROENIK)
    {
      fh.loadFeatures(in, fm, in_type);
      fm.sortByPosition();
      if ((out_type != FileTypes::FEATUREXML) &&
          (out_type != FileTypes::CONSENSUSXML))
      {
        // You will lose information and waste memory. Enough reasons to issue a warning!
        writeLog_("Warning: Converting features to peaks. You will lose information! Mass traces are added, if present as 'num_of_masstraces' and 'masstrace_intensity_<X>' (X>=0) meta values.");
        exp.set2DData<true>(fm);
      }
    }
    else
    {
      fh.loadExperiment(in, exp, in_type, log_type_);
    }

    //-------------------------------------------------------------
    // writing output
    //-------------------------------------------------------------

    writeDebug_(String("Writing output file"), 1);

    if (out_type == FileTypes::MZML)
    {
      //add data processing entry
      addDataProcessing_(exp, getProcessingInfo_(DataProcessing::
                                                 CONVERSION_MZML));
      MzMLFile f;
      f.setLogType(log_type_);
      ChromatogramTools().convertSpectraToChromatograms(exp, true);
      f.store(out, exp);
    }
    else if (out_type == FileTypes::MZDATA)
    {
      //annotate output with data processing info
      addDataProcessing_(exp, getProcessingInfo_(DataProcessing::
                                                 CONVERSION_MZDATA));
      MzDataFile f;
      f.setLogType(log_type_);
      ChromatogramTools().convertChromatogramsToSpectra<MSExperimentType>(exp);
      f.store(out, exp);
    }
    else if (out_type == FileTypes::MZXML)
    {
      //annotate output with data processing info
      addDataProcessing_(exp, getProcessingInfo_(DataProcessing::
开发者ID:BioITer,项目名称:OpenMS,代码行数:67,代码来源:FileConverter.C

示例7: main_


//.........这里部分代码省略.........
      cleavage_rule = "Trypsin/P";
    }
    parameters << "-CleavageRules" << cleavage_rule;

    // advanced parameters
    parameters << "-MinPeptideMass"   << getDoubleOption_("MinPeptideMass");
    parameters << "-MaxPeptideMass"   << getDoubleOption_("MaxPeptideMass");
    parameters << "-MinPeptideLength" << getIntOption_("MinPeptideLength");
    parameters << "-MaxPeptideLength" << getIntOption_("MaxPeptideLength");
    parameters << "-NumIntensityClasses" << getIntOption_("NumIntensityClasses");
    parameters << "-ClassSizeMultiplier" << getDoubleOption_("ClassSizeMultiplier");
    parameters << "-MonoisotopeAdjustmentSet" << getStringOption_("MonoisotopeAdjustmentSet");
    parameters << "-cpus" << getIntOption_("threads");


    // Constant parameters

    // DecoyPrefix worked only when set through the config file
    String cfg_file = tmp_dir + "myrimatch.cfg";
    ofstream f(cfg_file.c_str());
    f << "DecoyPrefix=\"\"\n";
    f.close();
    parameters << "-cfg" << cfg_file;

    // path to input file must be the last parameter
    parameters << inputfile_name;

    //-------------------------------------------------------------
    // calculations
    //-------------------------------------------------------------
    QStringList qparam;
    writeDebug_("MyriMatch arguments:", 1);
    writeDebug_(String("\"") + ListUtils::concatenate(parameters, "\" \"") + "\"", 1);
    for (Size i = 0; i < parameters.size(); ++i)
    {
      qparam << parameters[i].toQString();
    }
    QProcess process;

    // Bad style, because it breaks relative paths?
    process.setWorkingDirectory(tmp_dir.toQString());

    process.start(myrimatch_executable.toQString(), qparam, QIODevice::ReadOnly);
    bool success = process.waitForFinished(-1);
    String myri_msg(QString(process.readAllStandardOutput()));
    String myri_err(QString(process.readAllStandardError()));
    writeDebug_(myri_msg, 1);
    writeDebug_(myri_err, 0);
    if (!success || process.exitStatus() != 0 || process.exitCode() != 0)
    {
      writeLog_("Error: MyriMatch problem! (Details can be seen in the logfile: \"" + logfile + "\")");
      writeLog_("Note: This message can also be triggered if you run out of space in your tmp directory");
      return EXTERNAL_PROGRAM_ERROR;
    }

    //-------------------------------------------------------------
    // reading MyriMatch output
    //-------------------------------------------------------------

    writeDebug_("Reading output of MyriMatch", 5);
    String exp_name = File::basename(inputfile_name);
    String pep_file = tmp_dir + File::removeExtension(exp_name) + ".pepXML";

    FileHandler fh;
    MSExperiment<> exp;
    fh.loadExperiment(inputfile_name, exp);

    vector<ProteinIdentification> protein_identifications;
    vector<PeptideIdentification> peptide_identifications;
    if (File::exists(pep_file))
    {
      const bool use_precursor_data = false;
      PepXMLFile().load(pep_file, protein_identifications, peptide_identifications,
                        exp_name, exp, use_precursor_data);
    }
    else
    {
      writeLog_("Error: MyriMatch problem! No pepXML output file (expected as '" + pep_file + "') was generated by MyriMatch.");
      writeLog_("Note: This message can be triggered if no MS2 spectra were found or no identifications were made.");
      writeLog_("      Myrimatch expects MS2 spectra in mzML files to contain the MSn tag. MSSpectrum with MS level 2 is not sufficient. You can use FileConverter to create such an mzML file by converting from mzML --> mzXML --> mzML.");
      return EXTERNAL_PROGRAM_ERROR;
    }

    if (debug_level_ == 0)
    {
      QFile(pep_file.toQString()).remove();
      QFile(cfg_file.toQString()).remove();
    }
    else
    {
      writeDebug_(String("Not removing '") + pep_file + "' for debugging purposes. Please delete manually!", 1);
      writeDebug_(String("Not removing '") + cfg_file + "' for debugging purposes. Please delete manually!", 1);
    }
    //-------------------------------------------------------------
    // writing results
    //-------------------------------------------------------------

    IdXMLFile().store(outputfile_name, protein_identifications, peptide_identifications);
    return EXECUTION_OK;
  }
开发者ID:BioinformaticsArchive,项目名称:OpenMS,代码行数:101,代码来源:MyriMatchAdapter.cpp

示例8: main_


//.........这里部分代码省略.........
    {
      // Special switch for the low memory options:
      // We can transform the complete experiment directly without first
      // loading the complete data into memory. PlainMSDataWritingConsumer will
      // write out mzML to disk as they are read from the input.
      if (in_type == FileTypes::MZML && out_type == FileTypes::MZML)
      {
        PlainMSDataWritingConsumer consumer(out);
        consumer.getOptions().setWriteIndex(write_mzML_index);
        consumer.addDataProcessing(getProcessingInfo_(DataProcessing::CONVERSION_MZML));
        MzMLFile mzmlfile; 
        mzmlfile.setLogType(log_type_);
        mzmlfile.transform(in, &consumer);
        return EXECUTION_OK;
      }
      else if (in_type == FileTypes::MZXML && out_type == FileTypes::MZML)
      {
        PlainMSDataWritingConsumer consumer(out);
        consumer.getOptions().setWriteIndex(write_mzML_index);
        consumer.addDataProcessing(getProcessingInfo_(DataProcessing::CONVERSION_MZML));
        MzXMLFile mzxmlfile; 
        mzxmlfile.setLogType(log_type_);
        mzxmlfile.transform(in, &consumer);
        return EXECUTION_OK;
      }
      else
      {
        throw Exception::IllegalArgument(__FILE__, __LINE__, __PRETTY_FUNCTION__,
          "Process_lowmemory option can only be used with mzML / mzXML input and mzML output data types.");
      }
    }
    else
    {
      fh.loadExperiment(in, exp, in_type, log_type_);
    }

    //-------------------------------------------------------------
    // writing output
    //-------------------------------------------------------------

    writeDebug_(String("Writing output file"), 1);

    if (out_type == FileTypes::MZML)
    {
      //add data processing entry
      addDataProcessing_(exp, getProcessingInfo_(DataProcessing::
                                                 CONVERSION_MZML));
      MzMLFile f;
      f.setLogType(log_type_);
      f.getOptions().setWriteIndex(write_mzML_index);
      ChromatogramTools().convertSpectraToChromatograms(exp, true);
      f.store(out, exp);
    }
    else if (out_type == FileTypes::MZDATA)
    {
      //annotate output with data processing info
      addDataProcessing_(exp, getProcessingInfo_(DataProcessing::
                                                 CONVERSION_MZDATA));
      MzDataFile f;
      f.setLogType(log_type_);
      ChromatogramTools().convertChromatogramsToSpectra<MSExperimentType>(exp);
      f.store(out, exp);
    }
    else if (out_type == FileTypes::MZXML)
    {
      //annotate output with data processing info
开发者ID:BioinformaticsArchive,项目名称:OpenMS,代码行数:67,代码来源:FileConverter.cpp


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