def test_write_2():
xyz = np.array(np.random.randn(500, 10, 3), dtype=np.float32)
box_lengths = 25 * np.ones((500, 3), dtype=np.float32)
box_angles = 90 * np.ones((500, 3), dtype=np.float32)
box_lengths[0,0] = 10.0
f = DCDTrajectoryFile(temp, 'w')
f.write(xyz, box_lengths, box_angles)
f.close()
f = DCDTrajectoryFile(temp)
xyz2, box_lengths2, box_angles2 = f.read()
f.close()
yield lambda: eq(xyz, xyz2)
yield lambda: eq(box_lengths, box_lengths2)
yield lambda: eq(box_angles, box_angles2)
def test_write_2():
xyz = np.array(np.random.randn(500, 10, 3), dtype=np.float32)
box_lengths = 25 * np.ones((500, 3), dtype=np.float32)
box_angles = 90 * np.ones((500, 3), dtype=np.float32)
box_lengths[0, 0] = 10.0
f = DCDTrajectoryFile(temp, 'w')
f.write(xyz, box_lengths, box_angles)
f.close()
f = DCDTrajectoryFile(temp)
xyz2, box_lengths2, box_angles2 = f.read()
f.close()
yield lambda: eq(xyz, xyz2)
yield lambda: eq(box_lengths, box_lengths2)
yield lambda: eq(box_angles, box_angles2)
def test_write_closed():
f = DCDTrajectoryFile(fn_dcd, 'w')
f.close()
f.write(np.random.randn(10,3,3))
def test_read_closed():
f = DCDTrajectoryFile(fn_dcd)
f.close()
f.read()
def test_write_closed():
f = DCDTrajectoryFile(fn_dcd, 'w')
f.close()
f.write(np.random.randn(10, 3, 3))
def test_read_closed():
f = DCDTrajectoryFile(fn_dcd)
f.close()
f.read()
