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- __builtin__.object
-
- non_crystallographic_unit_cell_with_the_sites_in_its_center
- cctbx_uctbx_ext.unit_cell(Boost.Python.instance)
-
- unit_cell
class unit_cell(cctbx_uctbx_ext.unit_cell) |
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- 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__ = (...)
- __str__(self)
- 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, (change_of_basis_op)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) -> change_of_basis_op :
C++ signature :
cctbx::sgtbx::change_of_basis_op change_of_basis_op_for_best_monoclinic_beta(cctbx::uctbx::unit_cell {lvalue})
- 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)
- 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_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>)
- 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>)
- 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>)
- is_buerger_cell(self, relative_epsilon=None)
- is_degenerate(...)
- is_degenerate( (unit_cell)arg1 [, (float)min_min_length_over_max_length=1e-10 [, (float)min_volume_over_min_length=1.0000000000000001e-05]]) -> bool :
C++ signature :
bool is_degenerate(cctbx::uctbx::unit_cell {lvalue} [,double=1e-10 [,double=1.0000000000000001e-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]])
- 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})
- 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})
- 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]]])
- 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])
- 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 at 0x2aaaac5444a0>
- T.__new__(S, ...) -> a new object with type S, a subtype of T
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