Exemplo n.º 1
0
int main(int argc, char *argv[]) {
    IQmol::IQmolApplication iqmol(argc, argv);
    Q_INIT_RESOURCE(IQmol);

    // Setup logging;
    QsLogging::Logger& logger = QsLogging::Logger::instance();
    logger.setLoggingLevel(QsLogging::TraceLevel);
    QString const logFile(IQmol::Preferences::LogFilePath());

    // Weird scoping going on here
    QsLogging::DestinationPtr fileDestination;
    if (IQmol::Preferences::LoggingEnabled()) {
       fileDestination = QsLogging::DestinationFactory::MakeFileDestination(logFile);
       logger.addDestination(fileDestination.get());
#ifdef Q_WS_WIN
       if (Preferences::LogFileHidden()) {
          int fileHidden(0x2);  // Where is FILE_ATTRIBUTE_HIDDEN defined?
          WCHAR* fnam = (WCHAR*)logFile.constData();
          SetFileAttributes(fnam, fileHidden); 
       }
#endif
    }

    QLOG_INFO() << "---------- Session Started ----------";
    QLOG_INFO() << "IQmol Version: " << IQMOL_VERSION;

    QStringList args(QCoreApplication::arguments());
    args.removeFirst();
    // This ensures we always have something to open
    if (args.isEmpty()) args.push_back("");
    iqmol.queueOpenFiles(args);

    int ret(iqmol.exec());
    QLOG_INFO() << "Return code:" << ret;
    QLOG_INFO() << "----------- Session Ended -----------";
    return ret;
}
Exemplo n.º 2
0
void parse(int argc, char* argv[])
{
   QApplication app(argc, argv);
   QStringList  args(QCoreApplication::arguments());

   const QString usage("Usage:\n    Parser [-a][-d] filename");
   QString input;

   bool debugLogFile(false);
   bool archiveFile(false);

   if (args.size() <= 1) throw usage;

   for (int i = 1; i < args.size(); ++i) {
       if (args[i] == "-d") {
          debugLogFile = true;
       }else if (args[i] == "-a") {
          archiveFile = true;
       }else {
          input = args[i];
          break;
       } 
   }

   if (input.isEmpty()) throw usage;

   // Setup logging.  There is some weird scoping problem if we add any of the
   // following into the if (debugLogFile) clause.
   QsLogging::Logger& logger = QsLogging::Logger::instance();
   logger.setLoggingLevel(QsLogging::TraceLevel);
   logger.setDateStamp(false);
   QString logFile(input + ".log");
   QsLogging::DestinationPtr fileDestination;

   if (debugLogFile) {
      fileDestination = QsLogging::DestinationFactory::MakeFileDestination(logFile);
      logger.addDestination(fileDestination.get());
      qInstallMsgHandler(myMessageHandler);
   }
  
   initOpenBabel();
   
   Parser::ParseFile parseFile(input);
   parseFile.start();
   parseFile.wait(); 

   QStringList errors(parseFile.errors());
   if (!errors.isEmpty()) {
      qDebug() << "Error parsing file:" << input;
      QStringList::iterator iter;
      for (iter = errors.begin(); iter != errors.end(); ++iter) {
          qDebug() << "  " << *iter;
      }
      return;
   }

   Data::Bank const& data (parseFile.data());
   data.dump();

   // Save an IQmol archive
   if (archiveFile) {
      QString output(input + ".iqmol");
      Parser::IQmol iqmol;
      iqmol.saveData(output, const_cast<Data::Bank&>(data));
   }
}