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Help on class unit_cell in cctbx.uctbx: cctbx.uctbx.unit_cell = class unit_cell(cctbx_uctbx_ext.unit_cell) | Method resolution order: | unit_cell | cctbx_uctbx_ext.unit_cell | Boost.Python.instance | __builtin__.object | | Methods defined here: | | __init__(self, parameters=None, metrical_matrix=None, orthogonalization_matrix=None) | | ---------------------------------------------------------------------- | Methods inherited from cctbx_uctbx_ext.unit_cell: | | __getinitargs__(...) | __getinitargs__( (unit_cell)arg1) -> tuple : | | C++ signature : | boost::python::tuple __getinitargs__(cctbx::uctbx::unit_cell) | | __reduce__ = <unnamed Boost.Python function>(...) | | __str__(self) | | angle(...) | angle( (unit_cell)arg1, (object)site_frac_1, (object)site_frac_2, (object)site_frac_3) -> object : | | C++ signature : | boost::optional<double> angle(cctbx::uctbx::unit_cell {lvalue},cctbx::fractional<double>,cctbx::fractional<double>,cctbx::fractional<double>) | | bases_mean_square_difference(...) | bases_mean_square_difference( (unit_cell)arg1, (unit_cell)other) -> float : | | C++ signature : | double bases_mean_square_difference(cctbx::uctbx::unit_cell {lvalue},cctbx::uctbx::unit_cell) | | box_frac_around_sites(self, sites_cart=None, sites_frac=None, buffer=None) | | buffer_shifts_frac(self, buffer) | | change_basis(...) | change_basis( (unit_cell)arg1, (object)c_inv_r [, (float)r_den=1.0]) -> unit_cell : | | C++ signature : | cctbx::uctbx::unit_cell change_basis(cctbx::uctbx::unit_cell {lvalue},scitbx::mat3<double> [,double=1.0]) | | change_basis( (unit_cell)arg1, (object)cb_op) -> unit_cell : | | C++ signature : | cctbx::uctbx::unit_cell change_basis(cctbx::uctbx::unit_cell {lvalue},cctbx::sgtbx::change_of_basis_op) | | change_of_basis_op_for_best_monoclinic_beta(...) | change_of_basis_op_for_best_monoclinic_beta( (unit_cell)arg1) -> object : | | C++ signature : | cctbx::sgtbx::change_of_basis_op change_of_basis_op_for_best_monoclinic_beta(cctbx::uctbx::unit_cell {lvalue}) | | change_of_basis_op_to_niggli_cell(self, relative_epsilon=None, iteration_limit=None) | | compare_monoclinic(...) | compare_monoclinic( (unit_cell)arg1, (unit_cell)other, (int)unique_axis, (float)angular_tolerance) -> int : | | C++ signature : | int compare_monoclinic(cctbx::uctbx::unit_cell {lvalue},cctbx::uctbx::unit_cell,unsigned int,double) | | compare_orthorhombic(...) | compare_orthorhombic( (unit_cell)arg1, (unit_cell)other) -> int : | | C++ signature : | int compare_orthorhombic(cctbx::uctbx::unit_cell {lvalue},cctbx::uctbx::unit_cell) | | complete_miller_set_with_lattice_symmetry(self, anomalous_flag, d_min, lattice_symmetry_max_delta=3) | | d(...) | d( (unit_cell)arg1, (object)miller_index) -> float : | | C++ signature : | double d(cctbx::uctbx::unit_cell {lvalue},cctbx::miller::index<int>) | | d( (unit_cell)arg1, (miller_index)miller_indices) -> double : | | C++ signature : | scitbx::af::shared<double> d(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>) | | d_frac(...) | d_frac( (unit_cell)arg1, (object)miller_index) -> float : | | C++ signature : | double d_frac(cctbx::uctbx::unit_cell {lvalue},scitbx::vec3<double>) | | d_metrical_matrix_d_params(...) | d_metrical_matrix_d_params( (unit_cell)arg1) -> double : | | C++ signature : | scitbx::af::versa<double, scitbx::af::c_grid<2ul, unsigned long> > d_metrical_matrix_d_params(cctbx::uctbx::unit_cell) | | d_star_sq(...) | d_star_sq( (unit_cell)arg1, (object)miller_index) -> float : | | C++ signature : | double d_star_sq(cctbx::uctbx::unit_cell {lvalue},cctbx::miller::index<int>) | | d_star_sq( (unit_cell)arg1, (miller_index)miller_indices) -> double : | | C++ signature : | scitbx::af::shared<double> d_star_sq(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>) | | d_volume_d_params(...) | d_volume_d_params( (unit_cell)arg1) -> tuple : | | C++ signature : | scitbx::af::tiny<double, 6ul> d_volume_d_params(cctbx::uctbx::unit_cell {lvalue}) | | debye_waller_factor = debye_waller_factors(self, miller_index=None, miller_indices=None, u_iso=None, b_iso=None, u_cart=None, b_cart=None, u_cif=None, u_star=None, exp_arg_limit=50, truncate_exp_arg=False) | | debye_waller_factors(self, miller_index=None, miller_indices=None, u_iso=None, b_iso=None, u_cart=None, b_cart=None, u_cif=None, u_star=None, exp_arg_limit=50, truncate_exp_arg=False) | | dihedral(...) | dihedral( (unit_cell)arg1, (object)site_frac_1, (object)site_frac_2, (object)site_frac_3, (object)site_frac_4) -> object : | | C++ signature : | boost::optional<double> dihedral(cctbx::uctbx::unit_cell {lvalue},cctbx::fractional<double>,cctbx::fractional<double>,cctbx::fractional<double>,cctbx::fractional<double>) | | distance(...) | distance( (unit_cell)arg1, (object)site_frac_1, (object)site_frac_2) -> float : | | C++ signature : | double distance(cctbx::uctbx::unit_cell {lvalue},cctbx::fractional<double>,cctbx::fractional<double>) | | distance_mod_1(self, site_frac_1, site_frac_2) | | fractionalization_matrix(...) | fractionalization_matrix( (unit_cell)arg1) -> tuple : | | C++ signature : | scitbx::mat3<double> fractionalization_matrix(cctbx::uctbx::unit_cell {lvalue}) | | fractionalize(...) | fractionalize( (unit_cell)arg1, (object)site_cart) -> tuple : | | C++ signature : | scitbx::vec3<double> fractionalize(cctbx::uctbx::unit_cell {lvalue},scitbx::vec3<double>) | | fractionalize( (unit_cell)arg1, (vec3_double)sites_cart) -> vec3_double : | | C++ signature : | scitbx::af::shared<scitbx::vec3<double> > fractionalize(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>) | | fractionalize_gradient(...) | fractionalize_gradient( (unit_cell)arg1, (object)site_cart) -> tuple : | | C++ signature : | scitbx::vec3<double> fractionalize_gradient(cctbx::uctbx::unit_cell {lvalue},scitbx::vec3<double>) | | grid_index_as_site_cart_matrix(...) | grid_index_as_site_cart_matrix( (unit_cell)arg1, (object)gridding) -> tuple : | | C++ signature : | scitbx::mat3<double> grid_index_as_site_cart_matrix(cctbx::uctbx::unit_cell {lvalue},scitbx::vec3<int>) | | is_buerger_cell(self, relative_epsilon=None) | | is_conventional_hexagonal_basis(self, absolute_length_tolerance=0.001, absolute_angle_tolerance=0.001) | | is_conventional_rhombohedral_basis(self, absolute_length_tolerance=0.001, absolute_angle_tolerance=0.001) | | is_degenerate(...) | is_degenerate( (unit_cell)arg1 [, (float)min_min_length_over_max_length=1e-10 [, (float)min_volume_over_min_length=1e-05]]) -> bool : | | C++ signature : | bool is_degenerate(cctbx::uctbx::unit_cell {lvalue} [,double=1e-10 [,double=1e-05]]) | | is_niggli_cell(self, relative_epsilon=None) | | is_similar_to(...) | is_similar_to( (unit_cell)arg1, (unit_cell)other [, (float)relative_length_tolerance=0.01 [, (float)absolute_angle_tolerance=1.0]]) -> bool : | | C++ signature : | bool is_similar_to(cctbx::uctbx::unit_cell {lvalue},cctbx::uctbx::unit_cell [,double=0.01 [,double=1.0]]) | | lattice_symmetry_group(self, max_delta=3, enforce_max_delta_for_generated_two_folds=True) | | length(...) | length( (unit_cell)arg1, (object)site_frac) -> float : | | C++ signature : | double length(cctbx::uctbx::unit_cell {lvalue},cctbx::fractional<double>) | | longest_vector_sq(...) | longest_vector_sq( (unit_cell)arg1) -> float : | | C++ signature : | double longest_vector_sq(cctbx::uctbx::unit_cell {lvalue}) | | matrix_cart(...) | matrix_cart( (unit_cell)arg1, (object)rot_mx) -> tuple : | | C++ signature : | scitbx::mat3<double> matrix_cart(cctbx::uctbx::unit_cell {lvalue},cctbx::sgtbx::rot_mx) | | max_d_star_sq(...) | max_d_star_sq( (unit_cell)arg1, (miller_index)miller_indices) -> float : | | C++ signature : | double max_d_star_sq(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>) | | max_miller_indices(...) | max_miller_indices( (unit_cell)arg1, (float)d_min [, (float)tolerance=0.0001]) -> tuple : | | C++ signature : | cctbx::miller::index<int> max_miller_indices(cctbx::uctbx::unit_cell {lvalue},double [,double=0.0001]) | | metrical_matrix(...) | metrical_matrix( (unit_cell)arg1) -> tuple : | | C++ signature : | scitbx::sym_mat3<double> metrical_matrix(cctbx::uctbx::unit_cell {lvalue}) | | min_max_d_star_sq(...) | min_max_d_star_sq( (unit_cell)arg1, (miller_index)miller_indices) -> tuple : | | C++ signature : | scitbx::af::tiny<double, 2ul> min_max_d_star_sq(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>) | | min_mod_short_distance(...) | min_mod_short_distance( (unit_cell)arg1, (vec3_double)site_frac_1, (object)site_frac_2) -> float : | | C++ signature : | double min_mod_short_distance(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>,cctbx::fractional<double>) | | minimum_cell(self, iteration_limit=None, multiplier_significant_change_test=None, min_n_no_significant_change=None) | | minimum_reduction(self, iteration_limit=None, multiplier_significant_change_test=None, min_n_no_significant_change=None) | | mod_short_distance(...) | mod_short_distance( (unit_cell)arg1, (object)site_frac_1, (object)site_frac_2) -> float : | | C++ signature : | double mod_short_distance(cctbx::uctbx::unit_cell {lvalue},cctbx::fractional<double>,cctbx::fractional<double>) | | mod_short_length(...) | mod_short_length( (unit_cell)arg1, (object)site_frac) -> float : | | C++ signature : | double mod_short_length(cctbx::uctbx::unit_cell {lvalue},cctbx::fractional<double>) | | niggli_cell(self, relative_epsilon=None, iteration_limit=None) | | niggli_reduction(self, relative_epsilon=None, iteration_limit=None) | | orthogonalization_matrix(...) | orthogonalization_matrix( (unit_cell)arg1) -> tuple : | | C++ signature : | scitbx::mat3<double> orthogonalization_matrix(cctbx::uctbx::unit_cell {lvalue}) | | orthogonalize(...) | orthogonalize( (unit_cell)arg1, (object)site_frac) -> tuple : | | C++ signature : | scitbx::vec3<double> orthogonalize(cctbx::uctbx::unit_cell {lvalue},scitbx::vec3<double>) | | orthogonalize( (unit_cell)arg1, (vec3_double)sites_frac) -> vec3_double : | | C++ signature : | scitbx::af::shared<scitbx::vec3<double> > orthogonalize(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<scitbx::vec3<double>, scitbx::af::trivial_accessor>) | | parameters(...) | parameters( (unit_cell)arg1) -> tuple : | | C++ signature : | scitbx::af::tiny<double, 6ul> parameters(cctbx::uctbx::unit_cell {lvalue}) | | reciprocal(...) | reciprocal( (unit_cell)arg1) -> unit_cell : | | C++ signature : | cctbx::uctbx::unit_cell reciprocal(cctbx::uctbx::unit_cell {lvalue}) | | reciprocal_metrical_matrix(...) | reciprocal_metrical_matrix( (unit_cell)arg1) -> tuple : | | C++ signature : | scitbx::sym_mat3<double> reciprocal_metrical_matrix(cctbx::uctbx::unit_cell {lvalue}) | | reciprocal_parameters(...) | reciprocal_parameters( (unit_cell)arg1) -> tuple : | | C++ signature : | scitbx::af::tiny<double, 6ul> reciprocal_parameters(cctbx::uctbx::unit_cell {lvalue}) | | reciprocal_space_vector(...) | reciprocal_space_vector( (unit_cell)arg1, (object)miller_index) -> tuple : | | C++ signature : | scitbx::vec3<double> reciprocal_space_vector(cctbx::uctbx::unit_cell {lvalue},cctbx::miller::index<int>) | | reciprocal_space_vector( (unit_cell)arg1, (miller_index)miller_indices) -> vec3_double : | | C++ signature : | scitbx::af::shared<scitbx::vec3<double> > reciprocal_space_vector(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>) | | shortest_vector_sq(...) | shortest_vector_sq( (unit_cell)arg1) -> float : | | C++ signature : | double shortest_vector_sq(cctbx::uctbx::unit_cell {lvalue}) | | show_parameters(self, f=None, prefix='Unit cell: ') | | similarity_transformations(...) | similarity_transformations( (unit_cell)arg1, (unit_cell)other [, (float)relative_length_tolerance=0.02 [, (float)absolute_angle_tolerance=2 [, (int)unimodular_generator_range=1]]]) -> mat3_int : | | C++ signature : | scitbx::af::shared<scitbx::mat3<int> > similarity_transformations(cctbx::uctbx::unit_cell {lvalue},cctbx::uctbx::unit_cell [,double=0.02 [,double=2 [,int=1]]]) | | sin_sq_two_theta(...) | sin_sq_two_theta( (unit_cell)arg1, (object)miller_index, (float)wavelength) -> float : | | C++ signature : | double sin_sq_two_theta(cctbx::uctbx::unit_cell {lvalue},cctbx::miller::index<int>,double) | | sin_sq_two_theta( (unit_cell)arg1, (miller_index)miller_indices, (float)wavelength) -> double : | | C++ signature : | scitbx::af::shared<double> sin_sq_two_theta(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>,double) | | sin_two_theta(...) | sin_two_theta( (unit_cell)arg1, (object)miller_index, (float)wavelength) -> float : | | C++ signature : | double sin_two_theta(cctbx::uctbx::unit_cell {lvalue},cctbx::miller::index<int>,double) | | sin_two_theta( (unit_cell)arg1, (miller_index)miller_indices, (float)wavelength) -> double : | | C++ signature : | scitbx::af::shared<double> sin_two_theta(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>,double) | | stol(...) | stol( (unit_cell)arg1, (object)miller_index) -> float : | | C++ signature : | double stol(cctbx::uctbx::unit_cell {lvalue},cctbx::miller::index<int>) | | stol( (unit_cell)arg1, (miller_index)miller_indices) -> double : | | C++ signature : | scitbx::af::shared<double> stol(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>) | | stol_sq(...) | stol_sq( (unit_cell)arg1, (object)miller_index) -> float : | | C++ signature : | double stol_sq(cctbx::uctbx::unit_cell {lvalue},cctbx::miller::index<int>) | | stol_sq( (unit_cell)arg1, (miller_index)miller_indices) -> double : | | C++ signature : | scitbx::af::shared<double> stol_sq(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>) | | two_stol(...) | two_stol( (unit_cell)arg1, (object)miller_index) -> float : | | C++ signature : | double two_stol(cctbx::uctbx::unit_cell {lvalue},cctbx::miller::index<int>) | | two_stol( (unit_cell)arg1, (miller_index)miller_indices) -> double : | | C++ signature : | scitbx::af::shared<double> two_stol(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>) | | two_theta(...) | two_theta( (unit_cell)arg1, (object)miller_index, (float)wavelength [, (bool)deg=False]) -> float : | | C++ signature : | double two_theta(cctbx::uctbx::unit_cell {lvalue},cctbx::miller::index<int>,double [,bool=False]) | | two_theta( (unit_cell)arg1, (miller_index)miller_indices, (float)wavelength [, (bool)deg=False]) -> double : | | C++ signature : | scitbx::af::shared<double> two_theta(cctbx::uctbx::unit_cell {lvalue},scitbx::af::const_ref<cctbx::miller::index<int>, scitbx::af::trivial_accessor>,double [,bool=False]) | | u_star_to_u_cart_linear_map(...) | u_star_to_u_cart_linear_map( (unit_cell)arg1) -> double : | | C++ signature : | scitbx::af::versa<double, scitbx::af::c_grid<2ul, unsigned long> > u_star_to_u_cart_linear_map(cctbx::uctbx::unit_cell) | | u_star_to_u_cif_linear_map(...) | u_star_to_u_cif_linear_map( (unit_cell)arg1) -> tuple : | | C++ signature : | scitbx::af::tiny<double, 6ul> u_star_to_u_cif_linear_map(cctbx::uctbx::unit_cell {lvalue}) | | u_star_to_u_iso_linear_form(...) | u_star_to_u_iso_linear_form( (unit_cell)arg1) -> tuple : | | C++ signature : | scitbx::af::tiny<double, 6ul> u_star_to_u_iso_linear_form(cctbx::uctbx::unit_cell {lvalue}) | | volume(...) | volume( (unit_cell)arg1) -> float : | | C++ signature : | double volume(cctbx::uctbx::unit_cell {lvalue}) | | ---------------------------------------------------------------------- | Data and other attributes inherited from cctbx_uctbx_ext.unit_cell: | | __safe_for_unpickling__ = True | | ---------------------------------------------------------------------- | Data descriptors inherited from Boost.Python.instance: | | __dict__ | | __weakref__ | | ---------------------------------------------------------------------- | Data and other attributes inherited from Boost.Python.instance: | | __new__ = <built-in method __new__ of Boost.Python.class object> | T.__new__(S, ...) -> a new object with type S, a subtype of T