Exemplo n.º 1
0
bool Scanner::isSingleLine (Scanner &scanner)
{
    int pos = scanner.tell();

    scanner.skipLine();

    bool res = scanner.isEOF();

    scanner.seek(pos, SEEK_SET);
    return res;
}
Exemplo n.º 2
0
/* Read full (with hash chains, for future modifying) *
 * lzw dictionary function */
void LzwDict::load( Scanner &_scanner )
{
   int i, j, HashCode, n, k;

   _modified = false;

   _alphabetSize = _scanner.readBinaryInt();
   _nextCode = _scanner.readBinaryInt();
   n = _scanner.readBinaryInt();
   _bitcodeSize = _scanner.readBinaryInt();

   _maxCode = (1 << _bitcodeSize) - 1;

   _storage.clear();
   _storage.resize(n);

   for (i = 0; i < n; i++)
   {
      k = _scanner.readBinaryDword();

      _storage[i].Prefix = k;
      _storage[i].AppendChar = _scanner.readByte();
   }

   _freePtr = _scanner.readBinaryInt();

   _hashKeys.clear_resize(SIZE);
   _nextPointers.clear_resize(SIZE);

   for (i = 0; i < SIZE; i++)
   {
      _nextPointers[i] = -1;
      _hashKeys[i] = -1;
   }

   while (!_scanner.isEOF())
   {
      HashCode = _scanner.readBinaryInt();
      j = _scanner.readBinaryInt();

      _hashKeys[HashCode] = j;

      i = j;
      j = _scanner.readBinaryInt();

      while (j != -1)
      {
         _nextPointers[i] = j;
         i = j;
         j = _scanner.readBinaryInt();
      }
   }
}
Exemplo n.º 3
0
void GrossFormula::fromString (Scanner &scanner, Array<int> &gross)
{
   gross.clear_resize(ELEM_MAX);
   gross.zerofill();

   scanner.skipSpace();
   while (!scanner.isEOF())
   {
      int elem = Element::read(scanner);
      scanner.skipSpace();
      int counter = 1;
      
      if (isdigit(scanner.lookNext()))
      {
         counter = scanner.readUnsigned();
         scanner.skipSpace();
      }

      gross[elem] += counter;
   }
}
Exemplo n.º 4
0
void _importSMILES (OracleEnv &env, const char *table, const char *smiles_col,
                    const char *id_col, const char *file_name)
{
   FileScanner fscanner(file_name);
   AutoPtr<GZipScanner> gzscanner;
   Scanner *scanner;

   int nwritten = 0;
   QS_DEF(Array<char>, id);
   QS_DEF(Array<char>, str);

   env.dbgPrintfTS("importing into table %s\n", table);

   // detect if input is gzipped
   byte magic[2];
   int pos = fscanner.tell();

   fscanner.readCharsFix(2, (char *)magic);
   fscanner.seek(pos, SEEK_SET);

   if (magic[0] == 0x1f && magic[1] == 0x8b)
   {
      gzscanner.reset(new GZipScanner(fscanner));
      scanner = gzscanner.get();
   }
   else
      scanner = &fscanner;

   while (!scanner->isEOF())
   {
      id.clear();
      scanner->readLine(str, false);
      BufferScanner strscan(str);

      strscan.skipSpace();
      while (!strscan.isEOF() && !isspace(strscan.readChar()))
         ;
      strscan.skipSpace();
      if (strscan.lookNext() == '|')
      {
         strscan.readChar();
         while (!strscan.isEOF() && strscan.readChar() != '|')
            ;
         strscan.skipSpace();
      }

      if (!strscan.isEOF() && id_col != 0)
         strscan.readLine(id, true);

      OracleStatement statement(env);

      statement.append("INSERT INTO %s(%s", table, smiles_col);

      if (id_col != 0)
         statement.append(", %s", id_col);

      statement.append(") VALUES(:smiles");

      if (id_col != 0)
      {
         if (id.size() > 1)
            statement.append(", :id");
         else
            statement.append(", NULL");
      }
      statement.append(")");
      statement.prepare();

      str.push(0);
      statement.bindStringByName(":smiles", str.ptr(), str.size());
      if (id.size() > 1)
         statement.bindStringByName(":id", id.ptr(), id.size());

      statement.execute();
      nwritten++;
      if (nwritten % 1000 == 0)
      {
         env.dbgPrintfTS("imported %d items, commiting\n", nwritten);
         OracleStatement::executeSingle(env, "COMMIT");
      }
   }
   if (nwritten % 1000 != 0)
   {
      env.dbgPrintfTS("imported %d items, commiting\n", nwritten);
      OracleStatement::executeSingle(env, "COMMIT");
   }
}
Exemplo n.º 5
0
bool MoleculeAutoLoader::tryMDLCT (Scanner &scanner, Array<char> &outbuf)
{
   int pos = scanner.tell();
   bool endmark = false;
   QS_DEF(Array<char>, curline);

   outbuf.clear();
   while (!scanner.isEOF())
   {
      int len = scanner.readByte();

      if (len > 90) // Molfiles and Rxnfiles actually have 80 characters limit
      {
         scanner.seek(pos, SEEK_SET);
         // Garbage after endmark means end of data.
         // (See the note below about endmarks)
         if (endmark)
            return true;
         return false;
      }

      curline.clear();

      while (len-- > 0)
      {
         if (scanner.isEOF())
         {
            scanner.seek(pos, SEEK_SET);
            return false;
         }
         int c = scanner.readChar();
         curline.push(c);
      }

      curline.push(0);

      if (endmark)
      {
         // We can not properly read the data to the end as there
         // is often garbage after the actual MDLCT data.
         // Instead, we are doing this lousy check:
         // "M  END" or "$END MOL" can be followed only
         // by "$END CTAB" (in Markush queries), or
         // by "$MOL" (in Rxnfiles). Otherwise, this
         // is actually the end of data.
         if (strcmp(curline.ptr(), "$END CTAB") != 0 &&
             strcmp(curline.ptr(), "$MOL") != 0)
         {
            scanner.seek(pos, SEEK_SET);
            return true;
         }
      }

      if (strcmp(curline.ptr(), "M  END") == 0)
         endmark = true;
      else if (strcmp(curline.ptr(), "$END MOL") == 0)
         endmark = true;
      else
         endmark = false;

      outbuf.appendString(curline.ptr(), false);
      outbuf.push('\n');
   }
   scanner.seek(pos, SEEK_SET);
   // It happened once that a valid Molfile had successfully
   // made its way through the above while() cycle, and thus
   // falsely recognized as MDLCT. To fight this case, we include
   // here a check that the last line was actually an endmark
   return endmark;
}