Exemplo n.º 1
0
  Param MSSim::getParameters() const
  {
    Param tmp;
    tmp.insert("", this->param_); // get non-labeling options

    vector<String> products = Factory<BaseLabeler>::registeredProducts();

    tmp.setValue("Labeling:type", "labelfree", "Select the labeling type you want for your experiment");
    tmp.setValidStrings("Labeling:type", products);

    for (vector<String>::iterator product_name = products.begin(); product_name != products.end(); ++product_name)
    {
      BaseLabeler* labeler = Factory<BaseLabeler>::create(*product_name);
      if (labeler)
      {
        tmp.insert("Labeling:" + *product_name + ":", labeler->getDefaultParameters());
        if (!tmp.copy("Labeling:" + *product_name).empty())
        {
          // if parameters of labeler are empty, the section will not exist and
          // the command below would fail
          tmp.setSectionDescription("Labeling:" + *product_name, labeler->getDescription());
        }
        delete(labeler);
      }
      else
      {
        throw Exception::InvalidValue(__FILE__, __LINE__, __PRETTY_FUNCTION__, "This labeler returned by the Factory is invalid!", product_name->c_str()); 
      }
    }

    return tmp;
  }
Exemplo n.º 2
0
  Param getSubsectionDefaults_(const String& /*section*/) const override
  {
    Param combined;
    Param p_com;
    p_com.setValue("noise_threshold_int", 10.0, "Intensity threshold below which peaks are regarded as noise.");
    p_com.setValue("chrom_peak_snr", 3.0, "Minimum signal-to-noise a mass trace should have.");
    p_com.setValue("chrom_fwhm", 5.0, "Expected chromatographic peak width (in seconds).");

    combined.insert("common:", p_com);

    Param p_mtd = MassTraceDetection().getDefaults();
    p_mtd.remove("noise_threshold_int");
    p_mtd.remove("chrom_peak_snr");

    combined.insert("mtd:", p_mtd);

    Param p_epd = ElutionPeakDetection().getDefaults();
    p_epd.remove("noise_threshold_int");
    p_epd.remove("chrom_peak_snr");
    p_epd.remove("chrom_fwhm");

    p_epd.setValue("enabled", "true", "Enables/disables the chromatographic peak detection of mass traces");
    p_epd.setValidStrings("enabled", ListUtils::create<String>("true,false"));
    combined.insert("epd:", p_epd);

    return combined;
  }
Exemplo n.º 3
0
 Param getSubsectionDefaults_(const String & /*section*/) const
 {
   Param tmp;
   tmp.insert("Extraction:", ItraqChannelExtractor(ItraqQuantifier::FOURPLEX).getParameters());    // type is irrelevant - ini is the same
   tmp.insert("Quantification:", ItraqQuantifier(ItraqQuantifier::FOURPLEX).getParameters());    // type is irrelevant - ini is the same
   tmp.setValue("MetaInformation:Program", "OpenMS::ITRAQAnalyzer", "", StringList::create("advanced"));
   return tmp;
 }
Exemplo n.º 4
0
 Param getSubsectionDefaults_(const String & /*section*/) const
 {
   Param tmp;
   tmp.insert("Extraction:", ItraqChannelExtractor(ItraqQuantifier::TMT_SIXPLEX).getParameters());
   tmp.insert("Quantification:", ItraqQuantifier(ItraqQuantifier::TMT_SIXPLEX).getParameters());
   tmp.setValue("MetaInformation:Program", "OpenMS::TMTAnalyzer", "", ListUtils::create<String>("advanced"));
   return tmp;
 }
Exemplo n.º 5
0
 Param getSubsectionDefaults_(const String& /*section*/) const
 {
   // there is only one subsection: 'algorithm' (s.a) .. and in it belongs the PeakPicker param
   Param tmp;
   tmp.insert("PeakPicker:", PeakPickerCWT().getDefaults());
   return tmp;
 }
Exemplo n.º 6
0
 Param getSubsectionDefaults_(const String & /*section*/) const
 {
   // there is only one subsection: 'algorithm' (s.a) .. and in it belongs the FeatureDecharger param
   FeatureDeconvolution fdc;
   Param tmp;
   tmp.insert("FeatureDeconvolution:", fdc.getParameters());
   return tmp;
 }
Exemplo n.º 7
0
 Param FeatureFinder::getParameters(const String& algorithm_name) const
 {
   Param tmp;
   if (algorithm_name != "none")
   {
     FeatureFinderAlgorithm* a = Factory<FeatureFinderAlgorithm>::create(algorithm_name);
     tmp.insert("", a->getDefaultParameters());
     delete(a);
   }
   return tmp;
 }
Exemplo n.º 8
0
  void MSSim::syncParams_(Param& p, bool to_outer)
  {
    vector<StringList> globals;
    // here the globals params are listed that require to be in sync across several modules
    // - first the global param name and following that the module names where this param occurs
    // - Warning: the module params must have unchanged names and restrictions! (descriptions can differ though)
    globals.push_back(ListUtils::create<String>("ionization_type,Ionization,RawSignal,RawTandemSignal"));

    String global_prefix = "Global";
    // remove or add local params
    if (to_outer) // remove local params and merge to global
    {
      for (Size i = 0; i < globals.size(); ++i)
      {
        // set the global param:
        OPENMS_PRECONDITION(globals[i].size() >= 2, "Param synchronisation aborting due to missing local parameters!");
        p.insert(global_prefix + ":" + globals[i][0], p.copy(globals[i][1] + ":" + globals[i][0], true));
        // remove local params
        for (Size i_local = 1; i_local < globals[i].size(); ++i_local)
        {
          p.remove(globals[i][i_local] + ":" + globals[i][0]);
        }
      }
    }
    else // restore local params from global one
    {
      for (Size i = 0; i < globals.size(); ++i)
      {
        // get the global param:
        OPENMS_PRECONDITION(globals[i].size() >= 2, "Param synchronisation aborting due to missing local parameters!");

        Param p_global = p.copy(global_prefix + ":" + globals[i][0], true);
        // insert into local params
        for (Size i_local = 1; i_local < globals[i].size(); ++i_local)
        {
          p.insert(globals[i][i_local] + ":" + globals[i][0], p_global);
        }
      }
    }

  }
Exemplo n.º 9
0
  void updateINI(const String& infile, const String& outfile)
  {
    Int this_instance = getIntOption_("instance");
    INIUpdater updater;
    String tmp_ini_file = File::getTempDirectory() + "/" + File::getUniqueName() + "_INIUpdater.ini";
    tmp_files_.push_back(tmp_ini_file);

    String path = File::getExecutablePath();

    Param p;
    ParamXMLFile paramFile;
    paramFile.load(infile, p);
    // get sections (usually there is only one - or the user has merged INI files manually)
    StringList sections = updater.getToolNamesFromINI(p);

    if (sections.empty())
    {
      writeLog_("Update for file " + infile + " failed because tool section does not exist. Check INI file for corruption!");
      failed_.push_back(infile);
      return;
    }

    // get version of first section
    String version_old = "Unknown";
    if (!p.exists(sections[0] + ":version"))
    {
      writeLog_("No OpenMS version information found in file " + infile + "! Cannot update!");
      failed_.push_back(infile);
      return;
    }
    else
    {
      version_old = p.getValue(sections[0] + ":version");
      // TODO: return on newer version?!
    }


    // update sections
    writeDebug_("Section names: " + ListUtils::concatenate(sections, ", "), 1);
    bool update_success = true;
    for (Size s = 0; s < sections.size(); ++s)
    {
      String sec_inst = sections[s] + ":" + String(this_instance) + ":";
      // check for default instance
      if (!p.exists(sec_inst + "debug"))
      {
        writeLog_("Update for file '" + infile + "' failed because the instance section '" + sec_inst + "' does not exist. Use -instance or check INI file for corruption!");
        update_success = false;
        break;
      }
      String new_tool;
      String ttype;
      // find mapping to new tool (might be the same name)
      if (p.exists(sec_inst + "type")) ttype = p.getValue(sec_inst + "type");
      if (!updater.getNewToolName(sections[s], ttype, new_tool))
      {
        String type_text = ((ttype == "") ? "" : " with type '" + ttype + "' ");
        writeLog_("Update for file '" + infile + "' failed because the tool '" + sections[s] + "'" + type_text + "is unknown. TOPPAS file seems to be corrupted!");
        update_success = false;
        break;
      }
      // get defaults of new tool by calling it
      QProcess pr;
      QStringList arguments;
      arguments << "-write_ini";
      arguments << tmp_ini_file.toQString();
      arguments << "-instance";
      arguments << String(this_instance).toQString();
      pr.start((path + "/" + new_tool).toQString(), arguments);
      if (!pr.waitForFinished(-1))
      {
        writeLog_("Update for file '" + infile + "' failed because the tool '" + new_tool + "' returned with an error! Check if the tool works properly.");
        update_success = false;
        break;
      }

      // update defaults with old values
      Param new_param;
      paramFile.load(tmp_ini_file, new_param);
      new_param = new_param.copy(new_tool, true);
      Param old_param = p.copy(sections[s], true);
      new_param.update(old_param);
      // push back changes
      p.remove(sections[s] + ":");
      p.insert(new_tool, new_param);
    }

    if (!update_success)
    {
      failed_.push_back(infile);
      return;
    }

    // STORE
    if (outfile.empty()) // create a backup
    {
      QFileInfo fi(infile.toQString());
      String backup_filename = String(fi.path()) + "/" + fi.completeBaseName() + "_v" + version_old + ".ini";
      QFile::rename(infile.toQString(), backup_filename.toQString());
      std::cout << "Backup of input file created: " << backup_filename << std::endl;
      // write updated/new file
      paramFile.store(infile, p);
    }
    else
    {
      paramFile.store(outfile, p);
    }
  }
Exemplo n.º 10
0
  void updateTOPPAS(const String& infile, const String& outfile)
  {
    Int this_instance = getIntOption_("instance");
    INIUpdater updater;
    String tmp_ini_file = File::getTempDirectory() + "/" + File::getUniqueName() + "_INIUpdater.ini";
    tmp_files_.push_back(tmp_ini_file);

    String path = File::getExecutablePath();

    ParamXMLFile paramFile;
    Param p;
    paramFile.load(infile, p);

    // get version of TOPPAS file
    String version = "Unknown";
    if (!p.exists("info:version"))
    {
      writeLog_("No OpenMS version information found in file " + infile + "! Assuming OpenMS 1.8 and below.");
      version = "1.8.0";
    }
    else
    {
      version = p.getValue("info:version");
      // TODO: return on newer version?!
    }

    Int vertices = p.getValue("info:num_vertices");

    // update sections
    writeDebug_("#Vertices: " + String(vertices), 1);
    bool update_success = true;
    for (Int v = 0; v < vertices; ++v)
    {
      String sec_inst = "vertices:" + String(v) + ":";
      // check for default instance
      if (!p.exists(sec_inst + "toppas_type"))
      {
        writeLog_("Update for file " + infile + " failed because the vertex #" + String(v) + " does not have a 'toppas_type' node. Check INI file for corruption!");
        update_success = false;
        break;
      }

      if (p.getValue(sec_inst + "toppas_type") != "tool") // not a tool (but input/output/merge node)
      {
        continue;
      }

      if (!p.exists(sec_inst + "tool_name"))
      {
        writeLog_("Update for file " + infile + " failed because the vertex #" + String(v) + " does not have a 'tool_name' node. Check INI file for corruption!");
        update_success = false;
        break;
      }

      String old_name = p.getValue(sec_inst + "tool_name");
      String new_tool;
      String ttype;
      // find mapping to new tool (might be the same name)
      if (p.exists(sec_inst + "tool_type")) ttype = p.getValue(sec_inst + "tool_type");
      if (!updater.getNewToolName(old_name, ttype, new_tool))
      {
        String type_text = ((ttype == "") ? "" : " with type '" + ttype + "' ");
        writeLog_("Update for file " + infile + " failed because the tool '" + old_name + "'" + type_text + "is unknown. TOPPAS file seems to be corrupted!");
        update_success = false;
        break;
      }

      // set new tool name
      p.setValue(sec_inst + "tool_name", new_tool);
      // delete TOPPAS type
      if (new_tool != "GenericWrapper")
      {
        p.setValue(sec_inst + "tool_type", "");
      }

      // get defaults of new tool by calling it
      QProcess pr;
      QStringList arguments;
      arguments << "-write_ini";
      arguments << tmp_ini_file.toQString();
      arguments << "-instance";
      arguments << String(this_instance).toQString();
      pr.start((path + "/" + new_tool).toQString(), arguments);
      if (!pr.waitForFinished(-1))
      {
        writeLog_("Update for file " + infile + " failed because the tool '" + new_tool + "' returned with an error! Check if the tool works properly.");
        update_success = false;
        break;
      }

      // update defaults with old values
      Param new_param;
      paramFile.load(tmp_ini_file, new_param);
      new_param = new_param.copy(new_tool + ":1", true);
      Param old_param = p.copy(sec_inst + "parameters", true);
      new_param.update(old_param);
      // push back changes
      p.remove(sec_inst + "parameters:");
      p.insert(sec_inst + "parameters", new_param);
    }

    if (!update_success)
    {
      failed_.push_back(infile);
      return;
    }

    paramFile.store(tmp_ini_file, p);

    // update internal structure (e.g. edges format changed from 1.8 to 1.9)
    int argc = 1;
    const char* c = "IniUpdater";
    const char** argv = &c;

    QApplication app(argc, const_cast<char**>(argv), false);
    String tmp_dir = File::getTempDirectory() + "/" + File::getUniqueName();
    QDir d;
    d.mkpath(tmp_dir.toQString());
    TOPPASScene ts(nullptr, tmp_dir.toQString(), false);
    paramFile.store(tmp_ini_file, p);
    ts.load(tmp_ini_file);
    ts.store(tmp_ini_file);
    paramFile.load(tmp_ini_file, p);

    // STORE
    if (outfile.empty()) // create a backup
    {
      QFileInfo fi(infile.toQString());
      String new_name = String(fi.path()) + "/" + fi.completeBaseName() + "_v" + version + ".toppas";
      QFile::rename(infile.toQString(), new_name.toQString());
      // write new file
      paramFile.store(infile, p);
    }
    else
    {
      paramFile.store(outfile, p);
    }
  }