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- __builtin__.object
-
- scatterer
- cctbx.crystal.special_position_settings(cctbx.crystal.symmetry)
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- structure
class scatterer(__builtin__.object) |
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Methods defined here:
- __init__(self, label='', site=(0, 0, 0), u=None, occupancy=1, scattering_info='', b=None)
- apply_symmetry(self, unit_cell, space_group, min_distance_sym_equiv=0.5, u_star_tolerance=0, assert_min_distance_sym_equiv=True)
- multiplicity(self)
- update_weight(self, space_group_order_z)
- weight(self)
Data descriptors defined here:
- __dict__
- dictionary for instance variables (if defined)
- __weakref__
- list of weak references to the object (if defined)
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class structure(cctbx.crystal.special_position_settings) |
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- Method resolution order:
- structure
- cctbx.crystal.special_position_settings
- cctbx.crystal.symmetry
- __builtin__.object
Methods defined here:
- __init__(self, special_position_settings, scatterers=None)
- add_scatterer(self, scatterer)
- add_scatterers(self, scatterers)
- apply_symmetry(self, i)
- scatterers(self)
- show_scatterers(self, f=None)
- show_summary(self, f=None)
- special_position_indices(self)
- structure_factors(self, d_min)
Methods inherited from cctbx.crystal.special_position_settings:
- assert_min_distance_sym_equiv(self)
- asu_mappings(self, buffer_thickness, sites_frac=None, sites_cart=None, site_symmetry_table=None, asu_is_inside_epsilon=None)
- change_basis(self, cb_op)
- incremental_pairs(self, distance_cutoff, asu_is_inside_epsilon=None, asu_mappings_buffer_thickness=-1, cubicle_epsilon=-1)
- min_distance_sym_equiv(self)
- pair_asu_table(self, distance_cutoff, sites_frac=None, sites_cart=None, site_symmetry_table=None, asu_mappings_buffer_thickness=None, asu_is_inside_epsilon=None, distance_cutoff_epsilon=None)
- site_cluster_analysis(self, min_distance=None, min_cross_distance=None, min_self_distance=None, general_positions_only=False, estimated_reduction_factor=4, asu_is_inside_epsilon=None, asu_mappings_buffer_thickness=-1, min_cubicle_edge=5, cubicle_epsilon=-1)
- site_symmetry(self, site=None, site_cart=None)
- site_symmetry_table(self, sites_frac=None, sites_cart=None)
- sym_equiv_sites(self, site)
- u_star_tolerance(self)
Methods inherited from cctbx.crystal.symmetry:
- as_reference_setting(self)
- average_b_cart(self, b_cart)
- average_u_cart(self, u_cart)
- best_cell(self, angular_tolerance=None)
- build_miller_set(self, anomalous_flag, d_min, d_max=None)
- cell_equivalent_p1(self)
- change_of_basis_op_to_best_cell(self, angular_tolerance=None, best_monoclinic_beta=True)
- change_of_basis_op_to_inverse_hand(self)
- change_of_basis_op_to_minimum_cell(self)
- change_of_basis_op_to_niggli_cell(self, relative_epsilon=None, iteration_limit=None)
- change_of_basis_op_to_primitive_setting(self)
- change_of_basis_op_to_reference_setting(self)
- customized_copy(self, unit_cell=<class libtbx.utils.Keep at 0xae51d0>, space_group_info=<class libtbx.utils.Keep at 0xae51d0>)
- direct_space_asu(self)
- gridding(self, d_min=None, resolution_factor=None, step=None, symmetry_flags=None, mandatory_factors=None, max_prime=5, assert_shannon_sampling=True)
- inverse_hand(self)
- is_compatible_unit_cell(self)
- is_patterson_symmetry(self)
- is_similar_symmetry(self, other, relative_length_tolerance=0.01, absolute_angle_tolerance=1.0)
- join_symmetry(self, other_symmetry, force=False)
- minimum_cell(self)
- niggli_cell(self, relative_epsilon=None, iteration_limit=None)
- patterson_symmetry(self)
- primitive_setting(self)
- reflection_intensity_symmetry(self, anomalous_flag)
- space_group(self)
- space_group_info(self)
- special_position_settings(self, min_distance_sym_equiv=0.5, u_star_tolerance=0, assert_min_distance_sym_equiv=True)
- subtract_continuous_allowed_origin_shifts(self, translation_cart)
- unit_cell(self)
Data descriptors inherited from cctbx.crystal.symmetry:
- __dict__
- dictionary for instance variables (if defined)
- __weakref__
- list of weak references to the object (if defined)
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