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7 #ifndef BALL_MOLMEC_COMMON_SNAPSHOTMANAGER_H
8 #define BALL_MOLMEC_COMMON_SNAPSHOTMANAGER_H
10 #ifndef BALL_MOLMEC_COMMON_SNAPSHOT_H
14 #ifndef BALL_DATATYPE_OPTIONS_H
18 #ifndef BALL_SYSTEM_FILE_H
125 virtual
bool setup();
137 virtual
void clear();
145 virtual
bool isValid() const;
176 void setFlushToDiskFrequency(
Size number);
181 Size getFlushToDiskFrequency() const;
189 virtual
void takeSnapShot();
197 virtual
bool applySnapShot(
Size number);
203 virtual
bool applyFirstSnapShot();
210 virtual
bool applyNextSnapShot();
217 virtual
bool applyLastSnapShot();
221 virtual
void flushToDisk();
224 Size getNumberOfSnapShotsInBuffer() {
return snapshot_buffer_.size(); }
286 #endif // BALL_MOLMEC_COMMON_SNAPSHOTMANAGER_H
Position getCurrentSnapshotNumber() const
double calculateKineticEnergy_()
Local class for handling options.
static const char * FLUSH_TO_DISK_FREQUENCY
TrajectoryFile * trajectory_file_ptr_
const ForceField * force_field_ptr_
Options options
The available options for this class.
void clearBuffer()
Clear all currently loaded SnapShot 's.
Position current_snapshot_
static const Size FLUSH_TO_DISK_FREQUENCY
#define BALL_CREATE(name)
vector< SnapShot > snapshot_buffer_
Local class for handling default values for the options.
Size flush_to_disk_frequency_