Esempio n. 1
0
  public void testDescriptorsSearch() {
    try {
      DbConnection conn =
          new DbConnection(ITestDB.host, ITestDB.port, ITestDB.database, ITestDB.user, "");
      conn.open(true);

      // get descriptors list from database
      DbDescriptors dbd = new DbDescriptors(conn);
      dbd.initialize();
      dbd.initializeInsert();
      DescriptorQueryList descriptors = new DescriptorQueryList();
      dbd.loadQuery(descriptors);
      dbd.close();

      dbd = null;

      descriptors.getDescriptorQuery(0).setEnabled(true);
      descriptors.getDescriptorQuery(1).setEnabled(true);

      // Launch visualisation of the list

      DescriptorQueryPanel panel = new DescriptorQueryPanel(descriptors, null, false);
      panel.setPreferredSize(new Dimension(600, 300));
      if (JOptionPane.showConfirmDialog(null, panel, "Descriptors", JOptionPane.YES_NO_OPTION)
          == JOptionPane.NO_OPTION) return;

      DbSearchDescriptors reader = new DbSearchDescriptors(conn, descriptors, null, 0, 100);
      IChemObjectWriter writer =
          new MDLWriter(new FileOutputStream("data/misc/DbSearchDescriptorsTest.sdf"));
      IAmbitProcessor processor = new DefaultAmbitProcessor();
      DefaultBatchProcessing batch =
          new DefaultBatchProcessing(reader, writer, processor, new EmptyBatchConfig());
      batch.start();
      long rr = batch.getBatchStatistics().getRecords(IBatchStatistics.RECORDS_READ);
      long rp = batch.getBatchStatistics().getRecords(IBatchStatistics.RECORDS_PROCESSED);
      long rw = batch.getBatchStatistics().getRecords(IBatchStatistics.RECORDS_WRITTEN);

      long re = batch.getBatchStatistics().getRecords(IBatchStatistics.RECORDS_ERROR);
      assertEquals(100, rr);
      assertEquals(100, rp);
      assertTrue(rw == rr);
      assertTrue(rw > 0);

      conn.close();
    } catch (Exception x) {
      x.printStackTrace();
      fail();
    }
  }
Esempio n. 2
0
  public void test() {
    try {
      DbConnection conn =
          new DbConnection(ITestDB.host, ITestDB.port, ITestDB.database, ITestDB.user, "");
      conn.open(true);
      DbDescriptors dbd = new DbDescriptors(conn);
      dbd.initialize();
      dbd.initializeInsert();
      DescriptorQueryList descriptors = new DescriptorQueryList();
      dbd.loadQuery(descriptors);

      //			enable only the first descriptor
      descriptors.getDescriptorQuery(0).setEnabled(true);
      descriptors.getDescriptorQuery(0).setCondition("between");
      descriptors.getDescriptorQuery(0).setMinValue(2);
      descriptors.getDescriptorQuery(0).setMaxValue(3);
      // Launch visualisation of the list

      DescriptorQueryPanel panel = new DescriptorQueryPanel(descriptors, null, false);
      panel.setPreferredSize(new Dimension(600, 300));
      if (JOptionPane.showConfirmDialog(null, panel, "Descriptors", JOptionPane.YES_NO_OPTION)
          == JOptionPane.NO_OPTION) return;

      DbSearchDescriptors reader = new DbSearchDescriptors(conn, descriptors, null, 0, 10);

      ProcessorsChain processors = new ProcessorsChain();
      processors.add(new ReadSubstanceProcessor(conn.getConn()));
      processors.add(new ReadCASProcessor(conn.getConn()));
      processors.add(new ReadSMILESProcessor(conn.getConn()));
      processors.add(new ReadNameProcessor(conn.getConn()));
      processors.add(new ReadAliasProcessor(conn.getConn()));

      while (reader.hasNext()) {
        Object object = processors.process(reader.next());
        System.out.println(((IChemObject) object).getProperties());
      }
      reader.close();

      conn.close();
    } catch (Exception x) {
      x.printStackTrace();
      fail();
    }
  }