BALL  1.4.1
SDFile.h
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00001 // -*- Mode: C++; tab-width: 2; -*-
00002 // vi: set ts=2:
00003 //
00004 
00005 #ifndef BALL_FORMAT_SDFILE_H
00006 #define BALL_FORMAT_SDFILE_H
00007 
00008 #ifndef BALL_FORMAT_MOLFILE_H
00009 # include <BALL/FORMAT/MOLFile.h>
00010 #endif
00011 
00012 namespace BALL 
00013 {
00022   class BALL_EXPORT SDFile
00023     : public MOLFile
00024   {
00025     public:
00026 
00030 
00033     SDFile();
00034 
00038     SDFile(const String& filename, File::OpenMode open_mode = std::ios::in);
00039 
00041     virtual ~SDFile();
00042     
00044 
00048     
00055     virtual bool write(const System& system);
00056 
00060     virtual bool write(const Molecule& molecule);
00061 
00065     virtual bool read(System& system);
00066 
00070     virtual Molecule* read();
00071 
00082     void disableAtoms();
00083 
00087     void enableAtoms();
00088 
00090     const SDFile& operator = (const SDFile& file);
00091 
00093 
00094     protected:
00095 
00100     void readPropertyBlock_(Molecule& molecule);
00101 
00106     void writePropertyBlock_(const Molecule& molecule);
00107 
00110     bool read_atoms_;
00111   };
00112 } // namespace BALL
00113 
00114 #endif // BALL_FORMAT_SDFILE_H
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