cctbx.merging.brehm_diederichs module

class cctbx.merging.brehm_diederichs.algorithm2(data, lattice_id, resort=False, verbose=True)

Bases: object

generate_comparison_selections(nproc=1)

generate_reindex_sets()

generate_twin_operators()

one_lattice_slice(indices, lattice_id)

report(millerlookups)

run_core_algorithm(group, alternates, use_weights, asymmetric=1, show_plot=True, save_plot=False, plot_name='xy.png')

class cctbx.merging.brehm_diederichs.minimize(xcoord, ycoord, rij_matrix, wij_matrix, verbose)

Bases: lbfgs_with_curvatures_mix_in

compute_functional_and_gradients()

curvatures()

class cctbx.merging.brehm_diederichs.minimize_divide(xcoord, ycoord)

Bases: lbfgs_with_curvatures_mix_in

compute_functional_and_gradients()

functional_only(theta)

plus_minus()

cctbx.merging.brehm_diederichs.mp_reassemble(mp_patchwork)

cctbx.merging.brehm_diederichs.reassemble(patchwork, verbose=False)

cctbx.merging.brehm_diederichs.run(L, asymmetric=3, nproc=1, verbose=True, show_plot=True, save_plot=False)

cctbx.merging.brehm_diederichs.run_multiprocess(L, asymmetric=3, nproc=20, verbose=False, show_plot=True, save_plot=False)

cctbx.merging.brehm_diederichs.test_reassembly()