def testFlush(self):
""" Make sure we can flush the buffer as expected. """
# Get a filename.
name = os.path.abspath(os.path.dirname(__file__))
name = os.path.join(name, "..", "..")
name = os.path.join(name, "TestUtilities", "Scratch")
trajectory_filename = os.path.join(name, "tmp_trajectory_file.py")
self.__files_to_remove.append(trajectory_filename)
# Construct the trajecctory object.
sites = [[0.0,1.0,2.3],
[1.0,0.0,2.3],
[1.0,1.0,0.3],
[1.0,1.0,2.3],
[3.4,4.5,4.3],
[3.4,4.3,4.3],
[3.4,5.5,4.3],
[3.7,7.5,6.5]]
# Construct.
t = Trajectory(trajectory_filename, sites)
# Check that the file is created but only with meta information.
global_dict = {}
local_dict = {}
execfile(trajectory_filename, global_dict, local_dict)
empty_list = []
ret_types = local_dict['types']
self.assertEqual( ret_types, empty_list )
ret_times = local_dict['times']
self.assertEqual( ret_times, empty_list )
ret_steps = local_dict['steps']
self.assertEqual( ret_steps, empty_list )
# Fill the buffers.
t._Trajectory__types_buffer = [["ABC", "123"],["123", "ABC"]]
t._Trajectory__simulation_time_buffer = [1.234, 5.678]
t._Trajectory__step_buffer = [1, 99]
# Flush the buffers.
t.flush()
# Check that the buffers are empty.
self.assertEqual( t._Trajectory__types_buffer, empty_list )
self.assertEqual( t._Trajectory__simulation_time_buffer, empty_list )
self.assertEqual( t._Trajectory__step_buffer, empty_list )
# Check that the file has the flushed values.
global_dict = {}
local_dict = {}
execfile(trajectory_filename, global_dict, local_dict)
ret_types = local_dict['types']
self.assertEqual( ret_types, [["ABC", "123"],["123", "ABC"]] )
ret_times = local_dict['times']
self.assertAlmostEqual( ret_times, [1.234, 5.678], 10 )
ret_steps = local_dict['steps']
self.assertEqual( ret_steps, [1, 99] )
