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5 #ifndef BALL_FORMAT_DCDFILE_H
6 #define BALL_FORMAT_DCDFILE_H
8 #ifndef BALL_FORMAT_TRAJECTORYFILE_H
12 #ifndef BALL_SYSTEM_BINARYFILEADAPTOR_H
145 { *this << BinaryFileAdaptor<Size>(data);}
149 { *this << BinaryFileAdaptor<float>(data);}
208 #endif // BALL_FORMAT_DCDFILE_H
void writeVector_(const vector< Vector3 > &v)
virtual bool open(const String &name, File::OpenMode open_mode=std::ios::in)
virtual bool seekAndWriteHeader()
bool isSwappingBytes() const
virtual void clear()
Clear method.
DCDFile()
Default constructor.
Size step_number_of_starting_time_
BinaryFileAdaptor< float > adapt_float_
bool charmm_extra_block_A_
virtual bool flushToDisk(const std::vector< SnapShot > &buffer)
bool readSize_(Size expected_size, const String &what)
Position current_snapshot_
virtual bool readHeader()
void writeFloat_(const float &data)
void disableVelocityStorage()
virtual bool writeHeader()
void writeSize_(const Size &data)
std::ios::openmode OpenMode
bool hasVelocities() const
virtual ~DCDFile()
Destructor.
Size steps_between_saves_
void enableVelocityStorage()
BALL_EXPORT bool operator==(const String &s1, const String &s2)
BinaryFileAdaptor< Size > adapt_size_
virtual bool append(const SnapShot &snapshot)
bool charmm_extra_block_B_
bool readVector_(vector< Vector3 > &v)
DCDFile(const String &name, File::OpenMode open_mode=std::ios::in)
virtual bool read(SnapShot &snapshot)