コード例 #1
0
 /** {@inheritDoc} */
 @Override
 public int getNumberOfPeptidesForConfidenceLevel(int confidenceLevel, MsfFile msfFile) {
   int numberOfPeptides = 0;
   counter = 0;
   try {
     Statement stat = null;
     try {
       stat = msfFile.getConnection().createStatement();
       ResultSet rs = null;
       try {
         rs =
             stat.executeQuery(
                 "select count(PeptideID) from Peptides where ConfidenceLevel = "
                     + confidenceLevel);
         numberOfPeptides = rs.getInt(1);
       } finally {
         if (rs != null) {
           rs.close();
         }
       }
     } finally {
       if (stat != null) {
         stat.close();
       }
     }
   } catch (SQLException sqle) {
     logger.error(sqle);
   }
   counter = numberOfPeptides;
   return numberOfPeptides;
 }
コード例 #2
0
 /** {@inheritDoc} */
 @Override
 public int returnNumberOfPeptides(MsfFile msfFile) {
   int numberOfPeptides = 0;
   try {
     Statement stat = null;
     try {
       stat = msfFile.getConnection().createStatement();
       ResultSet rs = null;
       try {
         rs = stat.executeQuery("select count(peptideid) from Peptides");
         rs.next();
         numberOfPeptides = rs.getInt(1);
       } finally {
         if (rs != null) {
           rs.close();
         }
       }
     } finally {
       if (stat != null) {
         stat.close();
       }
     }
   } catch (SQLException sqle) {
     logger.error(sqle);
   }
   return numberOfPeptides;
 }
コード例 #3
0
  /** {@inheritDoc} */
  @Override
  public List getInformationForPeptide(int peptideID, MsfFile msfFile, boolean fullInfo) {
    List peptideInfo = new ArrayList();
    try {
      Statement stat = null;
      try {
        stat = msfFile.getConnection().createStatement();
        ResultSet rs = null;
        try {
          if (fullInfo) {
            rs =
                stat.executeQuery(
                    "select Peptides.Sequence, SpectrumHeaders.FirstScan,SpectrumHeaders.LastScan,Peptides.Annotations,ProcessingNodes.FriendlyName from Peptides where ConfidenceLevel >= 1 ");
          } else {
            rs = stat.executeQuery("");
          }
          while (rs.next()) {}
        } finally {
          if (rs != null) {
            rs.close();
          }
        }
      } finally {
        if (stat != null) {
          stat.close();
        }
      }
    } catch (SQLException sqle) {
      logger.error(sqle);
    }

    return peptideInfo;
  }
コード例 #4
0
 /** {@inheritDoc} */
 @Override
 public List<PeptideLowMem> getPeptidesForAccession(String lProteinAccession, MsfFile msfFile) {
   int lProteinID = 0;
   String lSequence = null;
   try {
     Statement stat = null;
     try {
       stat = msfFile.getConnection().createStatement();
       ResultSet rs = null;
       try {
         rs =
             stat.executeQuery(
                 "select protanno.proteinID,Proteins.Sequence from Proteins, (select ProteinID from ProteinAnnotations where ProteinAnnotations.Description like ('%"
                     + lProteinAccession
                     + "%')) as protanno where protanno.ProteinID = Proteins.ProteinID");
         rs.next();
         lProteinID = rs.getInt("protanno.proteinID");
         lSequence = rs.getString("Proteins.Sequence");
       } finally {
         if (rs != null) {
           rs.close();
         }
       }
     } finally {
       if (stat != null) {
         stat.close();
       }
     }
   } catch (SQLException sqle) {
     logger.error(sqle);
   }
   return getPeptidesForProtein(new ProteinLowMem(lSequence, lProteinID), msfFile);
 }
コード例 #5
0
 /** {@inheritDoc} */
 @Override
 public void getPeptidesForProteinList(
     List<ProteinLowMem> proteinLowMemList, MsfFile msfFile, int confidenceLevel) {
   try {
     String listOfProteinIds = "";
     HashMap<Integer, ProteinLowMem> protIdToProt = new HashMap<Integer, ProteinLowMem>();
     for (ProteinLowMem aProtein : proteinLowMemList) {
       listOfProteinIds = "," + aProtein.getProteinID() + listOfProteinIds;
       protIdToProt.put(aProtein.getProteinID(), aProtein);
     }
     listOfProteinIds = listOfProteinIds.replaceFirst(",", "");
     PreparedStatement stat = null;
     try {
       if (msfFile.getVersion() == MsfVersion.VERSION1_2) {
         stat =
             msfFile
                 .getConnection()
                 .prepareStatement(
                     "select Peptides.PeptideID as PeptideID,ConfidenceLevel,Sequence,TotalIonsCount,MatchedIonsCount,Annotation,ProcessingNodeNumber, s.*, FileID as file,pp.ProteinID from spectrumheaders as s, masspeaks, Peptides,Spectra as sp, (select PeptideID,ProteinID from peptidesProteins where PeptidesProteins.ProteinID in ("
                         + listOfProteinIds
                         + ")) as pp where masspeaks.masspeakid = s.masspeakid and s.SpectrumID = Peptides.SpectrumID and s.UniqueSpectrumID = sp.UniqueSpectrumID and Peptides.PeptideID = pp.PeptideID and Peptides.ConfidenceLevel = "
                         + confidenceLevel);
         ResultSet rs = null;
         try {
           rs = stat.executeQuery();
           while (rs.next()) {
             PeptideLowMem lPeptide =
                 new PeptideLowMem(
                     rs.getInt("PeptideID"),
                     rs.getInt("SpectrumID"),
                     rs.getInt("ConfidenceLevel"),
                     rs.getString("Sequence"),
                     rs.getInt("TotalIonsCount"),
                     rs.getInt("MatchedIonsCount"),
                     rs.getString("Annotation"),
                     rs.getInt("ProcessingNodeNumber"),
                     msfFile.getAminoAcids());
             lPeptide.setParentSpectrum(
                 new SpectrumLowMem(
                     rs.getInt("SpectrumID"),
                     rs.getInt("UniqueSpectrumID"),
                     rs.getInt("MassPeakID"),
                     rs.getInt("LastScan"),
                     rs.getInt("FirstScan"),
                     rs.getInt("ScanNumbers"),
                     rs.getInt("Charge"),
                     rs.getDouble("RetentionTime"),
                     rs.getDouble("Mass"),
                     rs.getInt("ScanEventID")));
             lPeptide.getParentSpectrum().setFileId(rs.getInt("file"));
             // lPeptide.getParentSpectrum().setZippedSpectrumXML(rs.getBytes("Spectrum"));
             protIdToProt.get(rs.getInt("pp.ProteinID")).addPeptide(lPeptide);
           }
         } finally {
           if (rs != null) {
             rs.close();
           }
         }
       } else {
         stat =
             msfFile
                 .getConnection()
                 .prepareStatement(
                     "select Peptides.PeptideID as peptideID,ConfidenceLevel,Sequence,TotalIonsCount,MatchedIonsCount,Annotation,ProcessingNodeNumber,MissedCleavages,UniquePeptideSequenceID, s.*, FileID as file,pp.ProteinID from spectrumheaders as s, masspeaks, Peptides,Spectra as sp, (select PeptideID,ProteinID from peptidesProteins where PeptidesProteins.ProteinID in ("
                         + listOfProteinIds
                         + ")) as pp where masspeaks.masspeakid = s.masspeakid and s.SpectrumID = Peptides.SpectrumID and s.UniqueSpectrumID = sp.UniqueSpectrumID and Peptides.PeptideID = pp.PeptideID and Peptides.ConfidenceLevel = ?");
         stat.setInt(1, confidenceLevel);
         ResultSet rs = stat.executeQuery();
         try {
           while (rs.next()) {
             PeptideLowMem lPeptide =
                 new PeptideLowMem(
                     rs.getInt("peptideID"),
                     rs.getInt("SpectrumID"),
                     rs.getInt("ConfidenceLevel"),
                     rs.getString("Sequence"),
                     rs.getInt("TotalIonsCount"),
                     rs.getInt("MatchedIonsCount"),
                     rs.getString("Annotation"),
                     rs.getInt("ProcessingNodeNumber"),
                     msfFile.getAminoAcids());
             lPeptide.setMissedCleavage(rs.getInt("MissedCleavages"));
             lPeptide.setUniquePeptideSequenceId(rs.getInt("UniquePeptideSequenceID"));
             lPeptide.setParentSpectrum(
                 new SpectrumLowMem(
                     rs.getInt("SpectrumID"),
                     rs.getInt("UniqueSpectrumID"),
                     rs.getInt("MassPeakID"),
                     rs.getInt("LastScan"),
                     rs.getInt("FirstScan"),
                     rs.getInt("ScanNumbers"),
                     rs.getInt("Charge"),
                     rs.getDouble("RetentionTime"),
                     rs.getDouble("Mass"),
                     rs.getInt("ScanEventID")));
             lPeptide.getParentSpectrum().setFileId(rs.getInt("file"));
             // lPeptide.getParentSpectrum().setZippedSpectrumXML(rs.getBytes("Spectrum"));
             protIdToProt.get(rs.getInt("pp.ProteinID")).addPeptide(lPeptide);
           }
         } finally {
           rs.close();
         }
       }
     } finally {
       if (stat != null) {
         stat.close();
       }
     }
   } catch (SQLException ex) {
     logger.error(ex);
   }
 }
コード例 #6
0
 /**
  * getPeptidesForProteinAtConfidenceLevel.
  *
  * @param protein a {@link com.compomics.thermo_msf_parser_API.lowmeminstance.model.ProteinLowMem}
  *     object.
  * @param msfFile a {@link com.compomics.thermo_msf_parser_API.lowmeminstance.model.MsfFile}
  *     object.
  * @param confidenceLevel a int.
  * @return a {@link java.util.List} object.
  */
 public List<PeptideLowMem> getPeptidesForProteinAtConfidenceLevel(
     ProteinLowMem protein, MsfFile msfFile, int confidenceLevel) {
   List<PeptideLowMem> foundPeptides = new ArrayList<PeptideLowMem>();
   counter = 0;
   try {
     Statement stat = null;
     try {
       stat = msfFile.getConnection().createStatement();
       if (msfFile.getVersion() == MsfVersion.VERSION1_2) {
         ResultSet rs =
             stat.executeQuery(
                 "select peptides.PeptideID as PeptideID,ConfidenceLevel,Sequence,TotalIonsCount,MatchedIonsCount,Annotation,ProcessingNodeNumber, s.*, FileID as file from spectrumheaders as s, masspeaks, Peptides,Spectra as sp,(select PeptideID as ID from PeptidesProteins where ProteinID ="
                     + protein.getProteinID()
                     + ") as pepid where pepid.ID = peptides.PeptideID and masspeaks.masspeakid = s.masspeakid and s.SpectrumID = peptides.SpectrumID and sp.UniqueSpectrumID = s.UniqueSpectrumID and ConfidenceLevel = "
                     + confidenceLevel
                     + "order by peptides.PeptideID");
         while (rs.next()) {
           PeptideLowMem lPeptide =
               new PeptideLowMem(
                   rs.getInt("PeptideID"),
                   rs.getInt("SpectrumID"),
                   rs.getInt("ConfidenceLevel"),
                   rs.getString("Sequence"),
                   rs.getInt("TotalIonsCount"),
                   rs.getInt("MatchedIonsCount"),
                   rs.getString("Annotation"),
                   rs.getInt("ProcessingNodeNumber"),
                   msfFile.getAminoAcids());
           // iScoreType.addScoresToPeptide(lPeptide,protein.getConnection());
           lPeptide.setParentSpectrum(
               new SpectrumLowMem(
                   rs.getInt("SpectrumID"),
                   rs.getInt("UniqueSpectrumID"),
                   rs.getInt("MassPeakID"),
                   rs.getInt("LastScan"),
                   rs.getInt("FirstScan"),
                   rs.getInt("ScanNumbers"),
                   rs.getInt("Charge"),
                   rs.getDouble("RetentionTime"),
                   rs.getDouble("Mass"),
                   rs.getInt("ScanEventID")));
           // TODO make initializer with fileID argument)
           lPeptide.getParentSpectrum().setFileId(rs.getInt("file"));
           // lPeptide.getParentSpectrum().setZippedSpectrumXML(rs.getBytes("Spectra"));
           // TODO check speed of this
           Statement customStat = msfFile.getConnection().createStatement();
           ResultSet customRs =
               customStat.executeQuery(
                   "select * from CustomDataPeptides where PeptideID = "
                       + lPeptide.getPeptideId());
           while (customRs.next()) {
             lPeptide.addCustomDataField(
                 customRs.getInt("FieldID"), customRs.getString("FieldValue"));
           }
           customRs.close();
           customStat.close();
           foundPeptides.add(lPeptide);
           counter++;
         }
         rs.close();
       } else {
         ResultSet rs =
             stat.executeQuery(
                 "select peptides.PeptideID as peptideid,ConfidenceLevel,Sequence,TotalIonsCount,MatchedIonsCount,Annotation,MissedCleavages,UniquePeptideSequenceID,ProcessingNodeNumber, s.*,FileID as file from spectrumheaders as s, masspeaks, Peptides ,Spectra as sp,(select PeptideID as ID from PeptidesProteins where ProteinID ="
                     + protein.getProteinID()
                     + ") as pepid where pepid.ID = peptides.PeptideID and masspeaks.masspeakid = s.masspeakid and s.SpectrumID = peptides.SpectrumID and sp.UniqueSpectrumID = s.UniqueSpectrumID and ConfidenceLevel = "
                     + confidenceLevel
                     + " order by peptides.PeptideID");
         while (rs.next()) {
           PeptideLowMem lPeptide =
               new PeptideLowMem(
                   rs.getInt("PeptideID"),
                   rs.getInt("SpectrumID"),
                   rs.getInt("ConfidenceLevel"),
                   rs.getString("Sequence"),
                   rs.getInt("TotalIonsCount"),
                   rs.getInt("MatchedIonsCount"),
                   rs.getString("Annotation"),
                   rs.getInt("ProcessingNodeNumber"),
                   msfFile.getAminoAcids());
           lPeptide.setMissedCleavage(rs.getInt("MissedCleavages"));
           lPeptide.setUniquePeptideSequenceId(rs.getInt("UniquePeptideSequenceID"));
           lPeptide.setParentSpectrum(
               new SpectrumLowMem(
                   rs.getInt("SpectrumID"),
                   rs.getInt("UniqueSpectrumID"),
                   rs.getInt("MassPeakID"),
                   rs.getInt("LastScan"),
                   rs.getInt("FirstScan"),
                   rs.getInt("ScanNumbers"),
                   rs.getInt("Charge"),
                   rs.getDouble("RetentionTime"),
                   rs.getDouble("Mass"),
                   rs.getInt("ScanEventID")));
           // TODO make initializer with fileID argument)
           lPeptide.getParentSpectrum().setFileId(rs.getInt("file"));
           Statement customStat = msfFile.getConnection().createStatement();
           ResultSet customRs =
               customStat.executeQuery(
                   "select * from CustomDataPeptides where PeptideID = "
                       + lPeptide.getPeptideId());
           while (customRs.next()) {
             lPeptide.addCustomDataField(
                 customRs.getInt("FieldID"), customRs.getString("FieldValue"));
           }
           customRs.close();
           customStat.close();
           foundPeptides.add(lPeptide);
           counter++;
         }
         rs.close();
       }
     } finally {
       if (stat != null) {
         stat.close();
       }
     }
   } catch (SQLException ex) {
     logger.error(ex);
   }
   return foundPeptides;
 }
コード例 #7
0
 /** {@inheritDoc} */
 @Override
 public List<PeptideLowMem> getPeptidesWithConfidenceLevel(int confidenceLevel, MsfFile msfFile) {
   List<PeptideLowMem> confidenceLevelPeptides = new ArrayList<PeptideLowMem>();
   counter = 0;
   int internalcounter = 0;
   try {
     Statement stat = null;
     try {
       stat = msfFile.getConnection().createStatement();
       ResultSet rs = null;
       try {
         if (msfFile.getVersion() == MsfVersion.VERSION1_2) {
           rs =
               stat.executeQuery(
                   "select Peptides.PeptideID,ConfidenceLevel,Sequence,TotalIonsCount,MatchedIonsCount,Annotation,ProcessingNodeNumber, s.*, FileID as file, sp.Spectrum from spectrumheaders as s, masspeaks as m, Peptides, Spectra as sp where m.masspeakid = s.masspeakid and s.SpectrumID = Peptides.SpectrumID and s.UniqueSpectrumID = sp.UniqueSpectrumID and Peptides.ConfidenceLevel = "
                       + confidenceLevel);
           while (rs.next()) {
             PeptideLowMem lPeptide =
                 new PeptideLowMem(
                     rs.getInt("PeptideID"),
                     rs.getInt("SpectrumID"),
                     rs.getInt("ConfidenceLevel"),
                     rs.getString("Sequence"),
                     rs.getInt("TotalIonsCount"),
                     rs.getInt("MatchedIonsCount"),
                     rs.getString("Annotation"),
                     rs.getInt("ProcessingNodeNumber"),
                     msfFile.getAminoAcids());
             lPeptide.setParentSpectrum(
                 new SpectrumLowMem(
                     rs.getInt("SpectrumID"),
                     rs.getInt("UniqueSpectrumID"),
                     rs.getInt("MassPeakID"),
                     rs.getInt("LastScan"),
                     rs.getInt("FirstScan"),
                     rs.getInt("ScanNumbers"),
                     rs.getInt("Charge"),
                     rs.getDouble("RetentionTime"),
                     rs.getDouble("Mass"),
                     rs.getInt("ScanEventID")));
             lPeptide.getParentSpectrum().setFileId(rs.getInt("file"));
             lPeptide.getParentSpectrum().setZippedSpectrumXML(rs.getBytes("Spectrum"));
             confidenceLevelPeptides.add(lPeptide);
             counter++;
             internalcounter++;
             if (internalcounter > 30) {
               internalcounter = 0;
               setChanged();
               notifyObservers();
             }
           }
           scoreTypeInstance.getScoresForPeptideList(confidenceLevelPeptides, msfFile);
         } else {
           rs =
               stat.executeQuery(
                   "select Peptides.PeptideID,ConfidenceLevel,Sequence,TotalIonsCount,MatchedIonsCount,Annotation,ProcessingNodeNumber,MissedCleavages,UniquePeptideSequenceID, s.*, FileID as file,sp.Spectrum from spectrumheaders as s, masspeaks as m, Peptides,Spectra as sp where m.masspeakid = s.masspeakid and s.SpectrumID = Peptides.SpectrumID and s.UniqueSpectrumID = sp.UniqueSpectrumID and Peptides.ConfidenceLevel = "
                       + confidenceLevel);
           while (rs.next()) {
             PeptideLowMem lPeptide =
                 new PeptideLowMem(
                     rs.getInt("PeptideID"),
                     rs.getInt("SpectrumID"),
                     rs.getInt("ConfidenceLevel"),
                     rs.getString("Sequence"),
                     rs.getInt("TotalIonsCount"),
                     rs.getInt("MatchedIonsCount"),
                     rs.getString("Annotation"),
                     rs.getInt("ProcessingNodeNumber"),
                     msfFile.getAminoAcids());
             lPeptide.setMissedCleavage(rs.getInt("MissedCleavages"));
             lPeptide.setUniquePeptideSequenceId(rs.getInt("UniquePeptideSequenceID"));
             lPeptide.setParentSpectrum(
                 new SpectrumLowMem(
                     rs.getInt("SpectrumID"),
                     rs.getInt("UniqueSpectrumID"),
                     rs.getInt("MassPeakID"),
                     rs.getInt("LastScan"),
                     rs.getInt("FirstScan"),
                     rs.getInt("ScanNumbers"),
                     rs.getInt("Charge"),
                     rs.getDouble("RetentionTime"),
                     rs.getDouble("Mass"),
                     rs.getInt("ScanEventID")));
             // TODO make initializer with fileID argument
             lPeptide.getParentSpectrum().setFileId(rs.getInt("file"));
             lPeptide.getParentSpectrum().setZippedSpectrumXML(rs.getBytes("Spectrum"));
             confidenceLevelPeptides.add(lPeptide);
             counter++;
             internalcounter++;
             if (internalcounter > 30) {
               internalcounter = 0;
               setChanged();
               notifyObservers();
             }
           }
           rs.close();
           scoreTypeInstance.getScoresForPeptideList(confidenceLevelPeptides, msfFile);
         }
       } finally {
         if (rs != null) {
           rs.close();
         }
       }
     } finally {
       if (stat != null) {
         stat.close();
       }
     }
   } catch (SQLException sqle) {
     logger.error(sqle);
   }
   return confidenceLevelPeptides;
 }