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()