p_index.py 文件源码

def get_ravel_offsets(npoints_thread,natoms):
    """ Get lengths and offsets for gathering trajectory fragments """
    size = len(npoints_thread)
    ravel_lengths = np.zeros(size,dtype=np.intc)
    ravel_offsets = np.zeros(size,dtype=np.intc)

    for i in range(size):
        ravel_lengths[i] = npoints_thread[i]*3*natoms
        ravel_offsets[i] = sum(ravel_lengths[:i])

    ravel_lengths = tuple(ravel_lengths)
    ravel_offsets = tuple(ravel_offsets)

    return ravel_lengths, ravel_offsets