def __init__(self,
trajectory_filename,
configuration,
max_buffer_size=None,
max_buffer_time=None):
"""
Constructor for the Trajectory.
:param trajectory_filename: The file name to write trajectory information to.
:type trajectory_filename: str
:param sites: The lattice sites of the configuration as an Nx3 list.
:param max_buffer_size: The max size of the the buffer in memory
before writing to file.
:type max_buffer_size: int
:param max_buffer_time: The max time limit between dumps to file.
:type max_buffer_time: float
"""
# Call the base class constructor.
Trajectory.__init__(self, trajectory_filename, max_buffer_size,
max_buffer_time)
# Init the member data.
self.__types_buffer = []
self.__simulation_time_buffer = []
self.__step_buffer = []
# Write the header.
self.__writeHeader(configuration.sites())
def __init__(self,
trajectory_filename,
configuration,
max_buffer_size=None,
max_buffer_time=None):
"""
Constructor for the XYZTrajectory.
:param trajectory_filename: The file name to write trajectory information to.
:type trajectory_filename: str
:param sites: The lattice sites of the configuration as an Nx3 list.
:param max_buffer_size: The max size of the the buffer in memory
before writing to file.
:type max_buffer_size: int
:param max_buffer_time: The max time limit between dumps to file.
:type max_buffer_time: float
"""
# Call the base class constructor.
Trajectory.__init__(self,
trajectory_filename,
max_buffer_size,
max_buffer_time)
# Init the member data.
self.__atom_id_types = []
self.__atom_id_coordinates = []
self.__time = []
self.__step = []
# Write the header.
self.__writeHeader(configuration)
