Source code for ewoksmx.utils.symmetry_utils

import gemmi



[docs]
def get_short_space_group_name(input_sg):

    # Lookup the group
    sg = gemmi.find_spacegroup_by_name(input_sg)
    if not sg:
        raise ValueError(f"Unknown space group: {input_sg}")

    # Get the standard short name
    short_name = sg.short_name()

    # FIX: If the user explicitly asked for 'R', and Gemmi returned 'H'
    # (or vice versa), respect the user's lattice choice if valid.
    if input_sg.startswith("R") and short_name.startswith("H"):
        short_name = short_name.replace("H", "R", 1)
    elif input_sg.startswith("H") and short_name.startswith("R"):
        short_name = short_name.replace("R", "H", 1)

    return short_name