コード例 #1
0
  /**
   * Returns the subsample with the given index. In case the subsample doesn't exist, null is
   * returned.
   *
   * @param subsampleId The subsamples index.
   * @return
   */
  public Subsample getSubsample(Integer subsampleId) {
    if (subsamples == null) {
      return null;
    }

    for (Subsample s : subsamples) {
      if (s.getSubsampleIndex() == subsampleId) {
        return s;
      }
    }

    return null;
  }
コード例 #2
0
  /**
   * Adds the given subsample. In case a subsample with the same index already exists, this subample
   * is replaced.
   *
   * @param s
   */
  public void setSubsample(Subsample s) {
    if (subsamples == null) {
      subsamples = new ArrayList<Subsample>(1);
    }

    // check if the subsample already exists
    for (int i = 0; i < subsamples.size(); i++) {
      // if a subsample with the same index already exists, replace it
      if (subsamples.get(i).getSubsampleIndex() == s.getSubsampleIndex()) {
        subsamples.set(i, s);
        return;
      }
    }

    // as the subsample wasn't set, add this one
    subsamples.add(s);
  }
コード例 #3
0
  /**
   * Converts the given meta-data to an mzTab formatted string.
   *
   * @return
   */
  public String toMzTab() {
    StringBuilder mzTab = new StringBuilder();

    if (title != null) {
      mzTab.append(createField("title", title));
    }
    if (description != null) {
      mzTab.append(createField("description", description));
    }
    // sample processing
    if (sampleProcessing != null) {
      for (Integer i = 1; i <= sampleProcessing.size(); i++) {
        mzTab.append(
            createField(String.format("sample_processing[%d]", i), sampleProcessing.get(i - 1)));
      }
    }
    // instrument
    if (instrument != null) {
      for (Integer i = 1; i <= instrument.size(); i++) {
        mzTab.append(
            createField(String.format("instrument[%d]-name", i), instrument.get(i - 1).getName()));
        mzTab.append(
            createField(
                String.format("instrument[%d]-source", i), instrument.get(i - 1).getSource()));
        mzTab.append(
            createField(
                String.format("instrument[%d]-analyzer", i), instrument.get(i - 1).getAnalyzer()));
        mzTab.append(
            createField(
                String.format("instrument[%d]-detector", i), instrument.get(i - 1).getDetector()));
      }
    }
    // software + software[1-n]-setting
    if (software != null) {
      for (Integer i = 1; i <= software.size(); i++) {
        mzTab.append(createField(String.format("software[%d]", i), software.get(i - 1)));

        // write out the settings for the specified software
        if (softwareSetting != null && softwareSetting.get(i) != null) {
          List<String> settings = softwareSetting.get(i);
          for (String s : settings) {
            mzTab.append(createField(String.format("software[%d]-setting"), s));
          }
        }
      }
    }
    // false discovery rate
    if (falseDiscoveryRate != null) {
      mzTab.append(createField("false_discovery_rate", falseDiscoveryRate));
    }
    // publication
    if (publication != null && publication.size() > 0) {
      String string = "";

      for (String p : publication) {
        string += (string.length() > 1 ? "," : "") + p;
      }

      mzTab.append(createField("publication", string));
    }
    // contact
    if (contact != null) {
      for (int i = 1; i <= contact.size(); i++) {
        mzTab.append(
            createField(String.format("contact[%d]-name", i), contact.get(i - 1).getName()));
        mzTab.append(
            createField(
                String.format("contact[%d]-affiliation", i), contact.get(i - 1).getAffiliation()));
        mzTab.append(
            createField(String.format("contact[%d]-email", i), contact.get(i - 1).getEmail()));
      }
    }
    // uri
    if (uri != null) {
      mzTab.append(createField("uri", uri));
    }
    // mods
    if (mod != null) {
      mzTab.append(createField("mod", mod));
    }
    // quantification method
    if (quantificationMethod != null) {
      mzTab.append(createField("quantification_method", quantificationMethod));
    }
    // protein quant unit
    if (proteinQuantificationUnit != null) {
      mzTab.append(createField("protein-quantification_unit", proteinQuantificationUnit));
    }
    // peptide quant unit
    if (peptideQuantificationUnit != null) {
      mzTab.append(createField("peptide-quantification_unit", peptideQuantificationUnit));
    }
    // ms files
    if (msFiles != null) {
      List<Integer> ids = new ArrayList<Integer>(msFiles.keySet());
      Collections.sort(ids);

      for (Integer index : ids) {
        mzTab.append(
            createField(
                String.format("ms_file[%d]-format", index + 1), msFiles.get(index).getFormat()));
        mzTab.append(
            createField(
                String.format("ms_file[%d]-location", index + 1),
                msFiles.get(index).getLocation()));
        mzTab.append(
            createField(
                String.format("ms_file[%d]-id_format", index + 1),
                msFiles.get(index).getIdFormat()));
      }
    }
    // colunits
    if (colunitProtein != null) {
      for (String column : colunitProtein.keySet()) {
        mzTab.append(
            createField(
                "colunit-protein",
                String.format("%s=%s", column, colunitProtein.get(column).toString())));
      }
    }
    if (colunitPeptide != null) {
      for (String column : colunitPeptide.keySet()) {
        mzTab.append(
            createField(
                "colunit-peptide",
                String.format("%s=%s", column, colunitPeptide.get(column).toString())));
      }
    }
    if (colunitSmallMolecule != null) {
      for (String column : colunitSmallMolecule.keySet()) {
        mzTab.append(
            createField(
                "colunit-small_molecule",
                String.format("%s=%s", column, colunitSmallMolecule.get(column).toString())));
      }
    }

    // custom
    if (customParams != null) {
      for (Param p : customParams) {
        mzTab.append(createField("custom", p));
      }
    }
    // species
    if (species != null) {
      for (int i = 1; i <= species.size(); i++) {
        mzTab.append(createField(String.format("species[%d]", i), species.get(i - 1)));
      }
    }
    // tissue
    if (tissue != null) {
      for (int i = 1; i <= tissue.size(); i++) {
        mzTab.append(createField(String.format("tissue[%d]", i), tissue.get(i - 1)));
      }
    }
    // cell_type
    if (cellType != null) {
      for (int i = 1; i <= cellType.size(); i++) {
        mzTab.append(createField(String.format("cell_type[%d]", i), cellType.get(i - 1)));
      }
    }
    // disease
    if (disease != null) {
      for (int i = 1; i <= disease.size(); i++) {
        mzTab.append(createField(String.format("disease[%d]", i), disease.get(i - 1)));
      }
    }
    // subsamples
    if (subsamples != null) {
      for (Subsample s : subsamples) {
        mzTab.append(s.toMzTab());
      }
    }

    return mzTab.toString();
  }
コード例 #4
0
  private void parseField(String subId, String field, String value) throws MzTabParsingException {
    logger.debug("parsing field: subId = " + subId + ", field = " + field + ", value = " + value);

    try {
      // simple fields with only one value
      if ("title".equals(field)) {
        title = value.trim();
      } else if ("description".equals(field) && subId == null) {
        description = value.trim();
      } else if ("false_discovery_rate".equals(field)) {
        falseDiscoveryRate = new ParamList(value);
      } else if ("uri".equals(field)) {
        uri = new URI(value);
      } else if ("mod".equals(field)) {
        mod = new ParamList(value);
      } else if ("quantification_method".equals(field)) {
        quantificationMethod = new Param(value);
      } else if ("protein-quantification_unit".equals(field)) {
        proteinQuantificationUnit = new Param(value);
      } else if ("peptide-quantification_unit".equals(field)) {
        peptideQuantificationUnit = new Param(value);
      }
      /** Complex fields with multiple values */
      // sample processing
      else if (field.startsWith("sample_processing")) {
        int sampleProcessingIndex =
            Integer.parseInt(
                field.substring(18, field.length() - 1)); // extract the processing step number
        // create the array if necessary
        if (sampleProcessing == null) {
          sampleProcessing = new ArrayList<ParamList>();
        }
        // set the param
        sampleProcessing.add(sampleProcessingIndex - 1, new ParamList(value));
      } // instruments
      else if (field.startsWith("instrument")) {
        // get the instrument's index
        int instrumentIndex = Integer.parseInt(field.substring(11, field.indexOf(']', 11)));
        // create the instrument array if necessary
        if (instrument == null) {
          instrument = new ArrayList<Instrument>();
        }
        // create the instrument if necessary
        if (instrument.get(instrumentIndex - 1) == null) {
          instrument.add(instrumentIndex - 1, new Instrument());
        }
        // check which value is set
        if (field.endsWith("name")) {
          instrument.get(instrumentIndex - 1).setName(new Param(value));
        } else if (field.endsWith("source")) {
          instrument.get(instrumentIndex - 1).setSource(new Param(value));
        } else if (field.endsWith("analyzer")) {
          instrument.get(instrumentIndex - 1).setAnalyzer(new Param(value));
        } else if (field.endsWith("detector")) {
          instrument.get(instrumentIndex - 1).setDetector(new Param(value));
        }
      } // software
      else if (field.startsWith("software")) {
        // get the software's 1-based index
        int softwareIndex = Integer.parseInt(field.substring(9, field.length() - 1));
        // create the software array if necessary
        if (software == null) {
          software = new ArrayList<Param>();
        }
        // add the software
        software.add(softwareIndex - 1, new Param(value));
      } // software[1-n]-setting
      else if (field.startsWith("software") && field.contains("]-setting")) {
        // get the software's 1-based index
        int softwareIndex = Integer.parseInt(field.substring(9, field.length() - 1));
        // create the software map if necessary
        if (softwareSetting == null) {
          softwareSetting = new HashMap<Integer, List<String>>();
        }

        // create the list for this software
        if (!softwareSetting.containsKey(softwareIndex)) {
          softwareSetting.put(softwareIndex, new ArrayList<String>());
        }
        // add the setting
        softwareSetting.get(softwareIndex).add(value);
      } // publication
      else if (field.equals("publication")) {
        // split the string
        String[] publications = value.trim().split("\\|");
        // create the publications array if necessary
        if (publication == null) {
          publication = new ArrayList<String>(publications.length);
        }
        publication.addAll(Arrays.asList(publications));
      } // contact
      else if (field.startsWith("contact")) {
        // get the instrument's index
        int contactIndex = Integer.parseInt(field.substring(8, field.indexOf(']', 8)));
        // create the instrument array if necessary
        if (contact == null) {
          contact = new ArrayList<Contact>();
        }
        // create the instrument if necessary
        if (contact.size() < contactIndex) {
          contact.add(contactIndex - 1, new Contact());
        }
        // check which value is set
        if (field.endsWith("name")) {
          contact.get(contactIndex - 1).setName(value.trim());
        } else if (field.endsWith("email")) {
          contact.get(contactIndex - 1).setEmail(value.trim());
        } else if (field.endsWith("affiliation")) {
          contact.get(contactIndex - 1).setAffiliation(value.trim());
        }
      } // ms_file
      else if (field.startsWith("ms_file")) {
        // get the instrument's index
        int msFileIndex = Integer.parseInt(field.substring(8, field.indexOf(']', 8)));
        // create the instrument array if necessary
        if (msFiles == null) {
          msFiles = new HashMap<Integer, MsFile>();
        }
        // create the instrument if necessary
        if (msFiles.size() < msFileIndex) {
          msFiles.put(msFileIndex - 1, new MsFile());
        }
        // check which value is set
        if (field.endsWith("id_format")) {
          msFiles.get(msFileIndex - 1).setIdFormat(new Param(value));
        } else if (field.endsWith("format")) {
          msFiles.get(msFileIndex - 1).setFormat(new Param(value));
        } else if (field.endsWith("location")) {
          msFiles.get(msFileIndex - 1).setLocation(value.trim());
        }
      } // TODO: define how -custom params are handled and react on that
      else if (field.equals("custom")) {
        if (customParams == null) {
          customParams = new ArrayList<Param>();
        }

        customParams.add(new Param(value));
      } // colunits
      else if (field.startsWith("colunit-")) {
        Matcher matcher = COLUNIT_PATTERN.matcher(value);
        if (!matcher.find()) {
          throw new MzTabParsingException("Invalid colunit definition: '" + value + "'.");
        }

        String column = matcher.group(1);
        Param unit = new Param(matcher.group(2));

        if (field.equals("colunit-protein")) {
          if (colunitProtein == null) {
            colunitProtein = new HashMap<String, Param>();
          }

          colunitProtein.put(column, unit);
        } else if (field.equals("colunit-peptide")) {
          if (colunitPeptide == null) {
            colunitPeptide = new HashMap<String, Param>();
          }

          colunitPeptide.put(column, unit);
        } else if (field.equals("colunit-small_molecule")) {
          if (colunitSmallMolecule == null) {
            colunitSmallMolecule = new HashMap<String, Param>();
          }

          colunitSmallMolecule.put(column, unit);
        }
      } // species, tissue, cell type, disease - on the unit level
      else if (subId == null && field.startsWith("species")) {
        // get the instrument's index
        int speciesIndex = Integer.parseInt(field.substring(8, field.length() - 1));
        // create the instrument array if necessary
        if (species == null) {
          species = new ArrayList<Param>();
        }

        species.add(speciesIndex - 1, new Param(value));
      } else if (subId == null && field.startsWith("tissue")) {
        // get the instrument's index
        int tissueIndex = Integer.parseInt(field.substring(7, field.length() - 1));
        // create the instrument array if necessary
        if (tissue == null) {
          tissue = new ArrayList<Param>();
        }

        tissue.add(tissueIndex - 1, new Param(value));
      } else if (subId == null && field.startsWith("cell_type")) {
        // get the instrument's index
        int cellTypeIndex = Integer.parseInt(field.substring(10, field.length() - 1));
        // create the instrument array if necessary
        if (cellType == null) {
          cellType = new ArrayList<Param>();
        }

        cellType.add(cellTypeIndex - 1, new Param(value));
      } else if (subId == null && field.startsWith("disease")) {
        // get the instrument's index
        int diseaseIndex = Integer.parseInt(field.substring(8, field.length() - 1));
        // create the instrument array if necessary
        if (disease == null) {
          disease = new ArrayList<Param>();
        }

        disease.add(diseaseIndex - 1, new Param(value));
      }
      /** Parse subsample specific data */
      else if (subId != null) {
        // extract the index
        int subIndex = Integer.parseInt(subId.substring(4, subId.length() - 1));
        // make sure the index is greater than 0
        // (it should be a 1 based index, and the code will break if this is not the case)
        if (subIndex < 1) {
          throw new MzTabParsingException("Found sub sample index smaller than 1!");
        }
        // make sure the subsample array exists
        if (subsamples == null) {
          subsamples = new ArrayList<Subsample>();
        }
        // make sure this subsample already exists
        if (subsamples.size() < subIndex) {
          subsamples.add(subIndex - 1, new Subsample(this.unitId, subIndex));
        }

        Subsample subsample = subsamples.get(subIndex - 1);

        // parse the field
        if ("description".equals(field)) {
          subsample.setDescription(value.trim());
        } else if ("quantification_reagent".equals(field)) {
          subsample.setQuantificationReagent(new Param(value));
        } else if ("custom".equals(field)) {
          if (subsample.getCustomParams() == null) {
            subsample.setCustomParams(new ArrayList<Param>(1));
          }
          subsample.getCustomParams().add(new Param(value));
        } else if (field.startsWith("species")) {
          // get the instrument's index
          int speciesIndex = Integer.parseInt(field.substring(8, field.length() - 1));
          // create the instrument array if necessary
          if (subsample.getSpecies() == null) {
            subsample.setSpecies(new ArrayList<Param>());
          }

          subsample.getSpecies().add(speciesIndex - 1, new Param(value));
        } else if (field.startsWith("tissue")) {
          // get the instrument's index
          int tissueIndex = Integer.parseInt(field.substring(7, field.length() - 1));
          // create the instrument array if necessary
          if (subsample.getTissue() == null) {
            subsample.setTissue(new ArrayList<Param>());
          }

          subsample.getTissue().add(tissueIndex - 1, new Param(value));
        } else if (field.startsWith("cell_type")) {
          // get the instrument's index
          int cellTypeIndex = Integer.parseInt(field.substring(10, field.length() - 1));
          // create the instrument array if necessary
          if (subsample.getCellType() == null) {
            subsample.setCellType(new ArrayList<Param>());
          }

          subsample.getCellType().add(cellTypeIndex - 1, new Param(value));
        } else if (field.startsWith("disease")) {
          // get the instrument's index
          int diseaseIndex = Integer.parseInt(field.substring(8, field.length() - 1));
          // create the instrument array if necessary
          if (subsample.getDisease() == null) {
            subsample.setDisease(new ArrayList<Param>());
          }

          subsample.getDisease().add(diseaseIndex - 1, new Param(value));
        }

      } else {
        logger.warn("Unknown unit field encountered: " + field);
      }
    } catch (Exception e) {
      throw new MzTabParsingException("Failed to parse mztab metadata field: " + e.getMessage(), e);
    }
  }