SDFile.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//

#ifndef BALL_FORMAT_SDFILE_H
#define BALL_FORMAT_SDFILE_H

#ifndef BALL_FORMAT_MOLFILE_H
# include <BALL/FORMAT/MOLFile.h>
#endif

namespace BALL 
{
  class BALL_EXPORT SDFile
    : public MOLFile
  {
    public:


    SDFile();

    SDFile(const String& filename, File::OpenMode open_mode = std::ios::in)
      throw(Exception::FileNotFound);

    virtual ~SDFile();
    

    
    virtual bool write(const System& system)
      throw(File::CannotWrite);

    virtual bool write(const Molecule& molecule)
      throw(File::CannotWrite);

    virtual bool read(System& system)
      throw(Exception::ParseError);

    virtual Molecule* read()
      throw(Exception::ParseError);

    void disableAtoms();

    void enableAtoms();

    const SDFile& operator = (const SDFile& file);


    protected:

    void readPropertyBlock_(Molecule& molecule);

    void writePropertyBlock_(const Molecule& molecule);

    bool read_atoms_;
  };
} // namespace BALL

#endif // BALL_FORMAT_SDFILE_H

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