[Index of services]
[New input]
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
[Index of services]
[New input]