cctbx.xray.structure_factors package

Submodules

• cctbx.xray.structure_factors.from_scatterers module
  • from_scatterers
• cctbx.xray.structure_factors.from_scatterers_direct module
  • from_scatterers_direct
    • from_scatterers_direct.f_calc()
• cctbx.xray.structure_factors.from_scatterers_direct_parallel module
  • direct_summation_cuda_platform
    • direct_summation_cuda_platform.validate_platform_resources()
  • direct_summation_simple
    • direct_summation_simple.use_alt_parallel
  • fcalc_container
    • fcalc_container.f_calc()
  • pprocess
    • pprocess.prepare_gaussians_symmetries_cell()
    • pprocess.prepare_miller_arrays_for_cuda()
    • pprocess.prepare_scattering_sites_for_cuda()
    • pprocess.print_diagnostics()
    • pprocess.validate_the_inputs()
• cctbx.xray.structure_factors.from_scatterers_fft module
  • from_scatterers_fft
    • from_scatterers_fft.f_calc()
    • from_scatterers_fft.show_unknown_scatterers()
• cctbx.xray.structure_factors.global_counters module
  • calls_and_accumulated_time
    • calls_and_accumulated_time.process()
  • show()
• cctbx.xray.structure_factors.gradient_flags module
  • gradient_flags
• cctbx.xray.structure_factors.gradients module
  • gradients
• cctbx.xray.structure_factors.gradients_base module
  • gradients_base
    • gradients_base.check_size()
    • gradients_base.d_target_d_f_calc()
    • gradients_base.d_target_d_fdp()
    • gradients_base.d_target_d_fp()
    • gradients_base.d_target_d_occupancy()
    • gradients_base.d_target_d_u_iso()
    • gradients_base.packed()
• cctbx.xray.structure_factors.gradients_direct module
  • gradients_direct
    • gradients_direct.d_target_d_site_cart()
    • gradients_direct.d_target_d_site_frac()
    • gradients_direct.d_target_d_u_cart()
    • gradients_direct.d_target_d_u_star()
• cctbx.xray.structure_factors.gradients_fft module
  • gradients_fft
    • gradients_fft.d_target_d_site_cart()
    • gradients_fft.d_target_d_site_frac()
    • gradients_fft.d_target_d_u_cart()
    • gradients_fft.d_target_d_u_star()
• cctbx.xray.structure_factors.manager module
  • managed_calculation_base
    • managed_calculation_base.algorithm()
    • managed_calculation_base.manager()
    • managed_calculation_base.miller_set()
    • managed_calculation_base.xray_structure()
  • manager
    • manager.cfft()
    • manager.cos_sin_table()
    • manager.crystal_gridding()
    • manager.d_min()
    • manager.exp_table_one_over_step_size()
    • manager.force_complex()
    • manager.grid_resolution_factor()
    • manager.have_good_timing_estimates()
    • manager.mandatory_grid_factors()
    • manager.max_prime()
    • manager.quality_factor()
    • manager.rfft()
    • manager.sampled_density_must_be_positive()
    • manager.setup_fft()
    • manager.symmetry_flags()
    • manager.tolerance_positive_definite()
    • manager.u_base()
    • manager.wing_cutoff()
• cctbx.xray.structure_factors.misc module
  • quality_factor_from_any()

Module contents