cctbx.adptbx module

cctbx.adptbx.debye_waller_factor_u_star_curvatures(h, u_star)

cctbx.adptbx.debye_waller_factor_u_star_gradients(h, u_star)

cctbx.adptbx.intersection(u_1, u_2, site_1, site_2, unit_cell)

Calculate the intersection of two scatterers, given coordinates and atomic displacements. If the scatterers do not actually intersect the result will be negative.

cctbx.adptbx.random_rotate_ellipsoid(u_cart, r_min=0, r_max=360)

cctbx.adptbx.random_traceless_symmetry_constrained_b_cart(crystal_symmetry, u_scale=1, u_min=0.1)

cctbx.adptbx.random_u_cart(u_scale=1, u_min=0)