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- as_CObjectZYX(map_unit_cell, first, last, apply_sigma_scaling=True)
- asu_eight_point_interpolation(...)
- asu_eight_point_interpolation( (double)arg1, (direct_space_asu_asu_mappings)arg2, (object)arg3) -> float :
C++ signature :
double asu_eight_point_interpolation(scitbx::af::const_ref<double, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > >,cctbx::crystal::direct_space_asu::asu_mappings<double, int> {lvalue},cctbx::fractional<double>)
- average_densities(...)
- average_densities( (unit_cell)unit_cell, (double)data, (vec3_double)sites_frac, (float)radius) -> double :
C++ signature :
scitbx::af::shared<double> average_densities(cctbx::uctbx::unit_cell,scitbx::af::const_ref<double, scitbx::af::c_grid<3ul, unsigned long> >,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,float)
- box_map_averaging(...)
- box_map_averaging( (unit_cell)arg1, (double)arg2, (float)arg3) -> double :
C++ signature :
scitbx::af::versa<double, scitbx::af::c_grid<3ul, unsigned long> > box_map_averaging(cctbx::uctbx::unit_cell,scitbx::af::const_ref<double, scitbx::af::c_grid<3ul, unsigned long> >,double)
- closest_grid_point(...)
- closest_grid_point( (grid)arg1, (object)arg2) -> tuple :
C++ signature :
scitbx::af::tiny<unsigned long, 3ul> closest_grid_point(scitbx::af::flex_grid<scitbx::af::small<long, 10ul> >,cctbx::fractional<double>)
- copy(...)
- copy( (float)map, (grid)result_grid) -> float :
C++ signature :
scitbx::af::versa<float, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > > copy(scitbx::af::const_ref<float, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > >,scitbx::af::flex_grid<scitbx::af::small<long, 10ul> >)
copy( (double)map, (grid)result_grid) -> double :
C++ signature :
scitbx::af::versa<double, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > > copy(scitbx::af::const_ref<double, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > >,scitbx::af::flex_grid<scitbx::af::small<long, 10ul> >)
copy( (float)map_unit_cell, (object)first, (object)last) -> float :
C++ signature :
scitbx::af::versa<float, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > > copy(scitbx::af::const_ref<float, cctbx::maptbx::c_grid_padded_p1<3ul> >,scitbx::af::tiny<int, 3ul>,scitbx::af::tiny<int, 3ul>)
copy( (double)map_unit_cell, (object)first, (object)last) -> double :
C++ signature :
scitbx::af::versa<double, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > > copy(scitbx::af::const_ref<double, cctbx::maptbx::c_grid_padded_p1<3ul> >,scitbx::af::tiny<int, 3ul>,scitbx::af::tiny<int, 3ul>)
- determine_gridding(...)
- determine_gridding( (unit_cell)arg1, (float)arg2, (float)arg3, (object)arg4, (int)arg5, (bool)arg6) -> tuple :
C++ signature :
scitbx::af::tiny<int, 3ul> determine_gridding(cctbx::uctbx::unit_cell,double,double,scitbx::af::tiny<int, 3ul>,int,bool)
determine_gridding( (unit_cell)arg1, (float)arg2, (float)arg3, (search_symmetry_flags)arg4, (space_group_type)arg5, (object)arg6, (int)arg7, (bool)arg8) -> tuple :
C++ signature :
scitbx::af::tiny<int, 3ul> determine_gridding(cctbx::uctbx::unit_cell,double,double,cctbx::sgtbx::search_symmetry_flags,cctbx::sgtbx::space_group_type,scitbx::af::tiny<int, 3ul>,int,bool)
- eight_point_interpolation(...)
- eight_point_interpolation( (double)arg1, (object)arg2) -> float :
C++ signature :
double eight_point_interpolation(scitbx::af::const_ref<double, scitbx::af::c_grid_padded<3ul, unsigned long> >,scitbx::vec3<double>)
- fft_to_real_map_unpadded(...)
- fft_to_real_map_unpadded( (space_group)space_group, (object)n_real, (miller_index)miller_indices, (complex_double)data) -> double :
C++ signature :
scitbx::af::versa<double, scitbx::af::c_grid<3ul, unsigned long> > fft_to_real_map_unpadded(cctbx::sgtbx::space_group,scitbx::af::tiny<int, 3ul>,scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<std::complex<double>, scitbx::af::trivial_accessor>)
- get_asu_mapper(...)
- get_asu_mapper( (object)coordinate, (space_group)space_group, (direct_space_asu_float_asu)float_asu, (float)min_distance_sym_equiv, (bool)assert_min_distance_sym_equiv) -> basic_mapper :
C++ signature :
cctbx::maptbx::basic_mapper<void, double, long> get_asu_mapper(cctbx::fractional<double>,cctbx::sgtbx::space_group,cctbx::crystal::direct_space_asu::float_asu<double>,double,bool)
- get_non_symmetric_mapper(...)
- get_non_symmetric_mapper( (object)coordinate) -> basic_mapper :
C++ signature :
cctbx::maptbx::basic_mapper<void, double, long> get_non_symmetric_mapper(cctbx::fractional<double>)
- get_unit_cell_mapper(...)
- get_unit_cell_mapper( (object)coordinate) -> basic_mapper :
C++ signature :
cctbx::maptbx::basic_mapper<void, double, long> get_unit_cell_mapper(cctbx::fractional<double>)
- grid_indices_around_sites(...)
- grid_indices_around_sites( (unit_cell)unit_cell, (object)fft_n_real, (object)fft_m_real, (vec3_double)sites_cart, (object)site_radii) -> unsigned :
C++ signature :
boost::shared_ptr<std::vector<unsigned int, std::allocator<unsigned int> > > grid_indices_around_sites(cctbx::uctbx::unit_cell,scitbx::af::tiny<int, 3ul>,scitbx::af::tiny<int, 3ul>,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<double, scitbx::af::trivial_accessor>)
- non_crystallographic_eight_point_interpolation(...)
- non_crystallographic_eight_point_interpolation( (double)map, (object)gridding_matrix, (object)site_cart [, (bool)allow_out_of_bounds=False [, (float)out_of_bounds_substitute_value=0]]) -> float :
C++ signature :
double non_crystallographic_eight_point_interpolation(scitbx::af::const_ref<double, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > >,scitbx::mat3<double>,scitbx::vec3<double> [,bool=False [,double=0]])
- real_space_gradients_simple(...)
- real_space_gradients_simple( (unit_cell)unit_cell, (double)density_map, (vec3_double)sites_cart, (float)delta) -> vec3_double :
C++ signature :
scitbx::af::shared<scitbx::vec3<double> > real_space_gradients_simple(cctbx::uctbx::unit_cell,scitbx::af::const_ref<double, scitbx::af::c_grid_padded<3ul, unsigned long> >,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,double)
- real_space_refinement_gradients(...)
- real_space_refinement_gradients( (basic_map)basic_map, (vec3_double)sites [, (float)delta_h=1.0 [, (int)max_iter=0]]) -> vec3_double :
C++ signature :
scitbx::af::shared<scitbx::vec3<double> > real_space_refinement_gradients(cctbx::maptbx::basic_map<double, long>,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor> [,double=1.0 [,unsigned long=0]])
- real_space_refinement_residual(...)
- real_space_refinement_residual( (basic_map)basic_map, (vec3_double)sites, (object)weights) -> float :
C++ signature :
double real_space_refinement_residual(cctbx::maptbx::basic_map<double, long>,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,scitbx::af::const_ref<double, scitbx::af::trivial_accessor>)
- real_space_target_simple(...)
- real_space_target_simple( (unit_cell)unit_cell, (double)density_map, (vec3_double)sites_cart) -> float :
C++ signature :
double real_space_target_simple(cctbx::uctbx::unit_cell,scitbx::af::const_ref<double, scitbx::af::c_grid_padded<3ul, unsigned long> >,scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>)
- set_if_less_than(...)
- set_if_less_than( (float)arg1, (float)arg2, (float)arg3) -> None :
C++ signature :
void set_if_less_than(scitbx::af::versa<float, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > > {lvalue},float,float)
set_if_less_than( (double)arg1, (float)arg2, (float)arg3) -> None :
C++ signature :
void set_if_less_than(scitbx::af::versa<double, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > > {lvalue},double,double)
- unpad_in_place(...)
- unpad_in_place( (float)map) -> None :
C++ signature :
void unpad_in_place(scitbx::af::versa<float, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > > {lvalue})
unpad_in_place( (double)map) -> None :
C++ signature :
void unpad_in_place(scitbx::af::versa<double, scitbx::af::flex_grid<scitbx::af::small<long, 10ul> > > {lvalue})
- value_at_closest_grid_point(map, x_frac)
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