cctbx.examples.structure_factor_calculus package

Submodules

• cctbx.examples.structure_factor_calculus.site_derivatives module
  • cos_alpha
    • cos_alpha.d2_site()
    • cos_alpha.d_site()
    • cos_alpha.f()
  • d2_cos_alpha_d_site_finite()
  • d_cos_alpha_d_site_finite()
  • exercise()
• cctbx.examples.structure_factor_calculus.sites_derivatives module
  • cos_alpha
    • cos_alpha.d2_sites()
    • cos_alpha.d_sites()
    • cos_alpha.f()
  • d2_cos_alpha_d_sites_finite()
  • d_cos_alpha_d_sites_finite()
  • exercise()
• cctbx.examples.structure_factor_calculus.sites_least_squares_derivatives module
  • compare_derivatives()
  • d2_exp_i_hx_d_sites_finite()
  • d_exp_i_hx_d_sites_finite()
  • exercise()
  • exp_i_hx
    • exp_i_hx.d2_sites()
    • exp_i_hx.d2_target_d_sites()
    • exp_i_hx.d_sites()
    • exp_i_hx.d_target_d_sites()
    • exp_i_hx.f()
• cctbx.examples.structure_factor_calculus.u_star_derivatives module
  • compare_derivatives()
  • d2_debye_waller_d_u_finite()
  • d_debye_waller_d_u_finite()
  • debye_waller
    • debye_waller.d2_u()
    • debye_waller.d_u()
    • debye_waller.f()
  • exercise()

Module contents