cctbx.examples.unit_cell_refinement module

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

class cctbx.examples.unit_cell_refinement.refinery(two_thetas_obs, miller_indices, wavelength, unit_cell)

Bases: object

callback_after_step(minimizer)

compute_functional_and_gradients()

unit_cell()

cctbx.examples.unit_cell_refinement.residual(two_thetas_obs, miller_indices, wavelength, unit_cell)

cctbx.examples.unit_cell_refinement.run()

cctbx.examples.unit_cell_refinement.show_fit(two_thetas_obs, miller_indices, wavelength, unit_cell)