cctbx.examples.unit_cell_minimizers module¶

cctbx.examples.unit_cell_minimizers.gradients(two_thetas_obs, miller_indices, wavelength, unit_cell, eps=1e-06)¶

cctbx.examples.unit_cell_minimizers.hessian(two_thetas_obs, miller_indices, wavelength, unit_cell, eps=1e-06)¶

class cctbx.examples.unit_cell_minimizers.refinery(two_thetas_obs, miller_indices, wavelength, unit_cell, mode)¶

Bases: object

functional(x)¶

gradients(x)¶

hessian(x)¶

run_lbfgs_raw(unit_cell, diagco, use_hessian, lbfgs_impl_switch)¶

run_lbfgsb(unit_cell, iprint=1)¶

unit_cell()¶

cctbx.examples.unit_cell_minimizers.residual(two_thetas_obs, miller_indices, wavelength, unit_cell)¶

cctbx.examples.unit_cell_minimizers.run(args)¶

cctbx.examples.unit_cell_minimizers.show_fit(two_thetas_obs, miller_indices, wavelength, unit_cell)¶