def test_psi6_fd(fakedata): ftr = fakedata[0] bop = packing.psi6(ftr, cutoff=1.6) # psi6 of square lattice is zero _check_scalar(bop.bopmag, 0)
def test_psi6_rd(realdata): ftr = realdata[1] bop = packing.psi6(ftr, cutoff=rdcutoff) assert bop.bopmag.mean() > 0.5 assert bop.bopmag.mean() < 1