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class SnapShotManager
{
%TypeHeaderCode
#include <BALL/CONCEPT/processor.h>
#include <BALL/MOLMEC/COMMON/snapShotManager.h>
#include <BALL/SYSTEM/file.h>
%End
public:
struct Option
{
static const char* FLUSH_TO_DISK_FREQUENCY;
};
struct Default
{
static const Size FLUSH_TO_DISK_FREQUENCY;
};
SnapShotManager();
SnapShotManager(System*, const ForceField*, TrajectoryFile*);
SnapShotManager(System*, TrajectoryFile* file = 0);
SnapShotManager(System*, const ForceField*, const Options&, TrajectoryFile*);
SnapShotManager(const SnapShotManager&);
~SnapShotManager();
bool setup(System*, TrajectoryFile*);
bool setup(System*, const ForceField*, TrajectoryFile*);
virtual bool setup();
virtual void clear();
virtual bool isValid() const;
void setSystem(System*);
System* getSystem() const;
void setForceField(const ForceField*);
const ForceField* getForceField() const;
void setTrajectoryFile(TrajectoryFile*);
TrajectoryFile* getTrajectoryFile() const;
void setFlushToDiskFrequency(Size);
Size getFlushToDiskFrequency() const;
virtual void takeSnapShot() throw(File::CannotWrite);
virtual bool applySnapShot(Size);
virtual bool applyFirstSnapShot();
virtual bool applyNextSnapShot();
virtual bool applyLastSnapShot();
virtual void flushToDisk() throw(File::CannotWrite);
Size getNumberOfSnapShotsInBuffer();
bool readFromFile();
void clearBuffer();
Options options;
};
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