cctbx.sgtbx
index
/net/chevy/raid1/nat/src/cctbx_project/cctbx/sgtbx/__init__.py

 
Package Contents
       
bravais_types
cosets
direct_space_asu (package)
harker
lattice_symmetry
literal_description
plane_groups
pointgroup_tools
rational_matrices_point_groups
reticular_pg_tools
reticular_twin_laws
show_cosets
sub_lattice_tools
subgroups
symbol_confidence
sys_abs_equiv

 
Classes
       
__builtin__.object
any_generator_set
space_group_info
empty
le_page_1982_delta_details
libtbx.slots_getstate_setstate(__builtin__.object)
special_op_simplified
special_op_simplified_term
symmetry_equivalent_pair_interactions

 
class any_generator_set(__builtin__.object)
     Methods defined here:
__init__(self, space_group, z2c_r_den=12, z2c_t_den=144)

Data descriptors defined here:
__dict__
dictionary for instance variables (if defined)
__weakref__
list of weak references to the object (if defined)

 
class empty
    

 
class le_page_1982_delta_details
     Methods defined here:
__init__(self, reduced_cell, rot_mx, deg=False)

 
class space_group_info(__builtin__.object)
     Methods defined here:
__getstate__(self)
__init__(self, symbol=None, table_id=None, group=None, number=None, space_group_t_den=None)
__setstate__(self, state)
__str__(self)
any_compatible_crystal_symmetry(self, volume=None, asu_volume=None)
any_compatible_unit_cell(self, volume=None, asu_volume=None)
any_generator_set(self)
as_reference_setting(self)
brick(self)
change_basis(self, cb_op)
change_hand(self)
change_of_basis_op_to(self, other)
The change of basis from self to other.
This method strives to return a mere origin shift.
change_of_basis_op_to_other_hand(self)
change_of_basis_op_to_primitive_setting(self)
change_of_basis_op_to_reference_setting(self)
cif_symmetry_code(self, rt_mx, full_code=False, sep='_')
The symmetry code for the given rt_mx in the given space group as
required by the CIF:
 
http://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Igeom_angle_site_symmetry_.html
 
With the default full_code=False, if the translation term is zero,
just the index of the symmetry operation is returned.
direct_space_asu(self)
group(self)
is_allowed_origin_shift(self, shift, tolerance)
is_reference_setting(self)
number_of_continuous_allowed_origin_shifts(self)
primitive_setting(self)
reciprocal_space_asu(self)
reference_setting(self)
reflection_intensity_equivalent_groups(self, anomalous_flag=True)
show_summary(self, f=None, prefix='Space group: ')
structure_seminvariants(self)
subtract_continuous_allowed_origin_shifts(self, translation_frac)
symbol_and_number(self)
type(self, tidy_cb_op=True, r_den=None, t_den=None)
wyckoff_table(self)

Data descriptors defined here:
__dict__
dictionary for instance variables (if defined)
__weakref__
list of weak references to the object (if defined)

Data and other attributes defined here:
__safe_for_unpickling__ = True

 
class special_op_simplified(libtbx.slots_getstate_setstate)
    
Method resolution order:
special_op_simplified
libtbx.slots_getstate_setstate
__builtin__.object

Methods defined here:
__init__(O, terms)
__str__(O)
shelx_fvar_encoding(self, fvars, site, p_tolerance=1e-05)

Data descriptors defined here:
terms

Methods inherited from libtbx.slots_getstate_setstate:
__getstate__(self)
__setstate__(self, state)

 
class special_op_simplified_term(libtbx.slots_getstate_setstate)
    
Method resolution order:
special_op_simplified_term
libtbx.slots_getstate_setstate
__builtin__.object

Methods defined here:
__init__(O, i_vars, multipliers, constant)
__str__(O)
is_identity(O)

Data descriptors defined here:
constant
i_vars
multipliers

Methods inherited from libtbx.slots_getstate_setstate:
__getstate__(self)
__setstate__(self, state)

 
class symmetry_equivalent_pair_interactions(libtbx.slots_getstate_setstate)
    
Method resolution order:
symmetry_equivalent_pair_interactions
libtbx.slots_getstate_setstate
__builtin__.object

Methods defined here:
__init__(O, site_symmetry_ops_i, site_symmetry_ops_j, i_seq_eq_j_seq, rt_mx_ji)
get(O)
is_equivalent(O, rt_mx_ji)

Data descriptors defined here:
registry
site_symmetry_ops_j

Methods inherited from libtbx.slots_getstate_setstate:
__getstate__(self)
__setstate__(self, state)

 
Functions
       
compare_cb_op_as_hkl(a, b)
fractional_mod_positive(...)
fractional_mod_positive( (object)site) -> tuple :
 
    C++ signature :
        cctbx::fractional<double> fractional_mod_positive(cctbx::fractional<double>)
fractional_mod_short(...)
fractional_mod_short( (object)site) -> tuple :
 
    C++ signature :
        cctbx::fractional<double> fractional_mod_short(cctbx::fractional<double>)
lattice_symmetry_find_max_delta(...)
lattice_symmetry_find_max_delta( (unit_cell)reduced_cell, (space_group)space_group) -> float :
 
    C++ signature :
        double lattice_symmetry_find_max_delta(cctbx::uctbx::unit_cell,cctbx::sgtbx::space_group)
lattice_symmetry_group(...)
lattice_symmetry_group( (unit_cell)reduced_cell [, (float)max_delta=3.0 [, (bool)enforce_max_delta_for_generated_two_folds=True]]) -> space_group :
 
    C++ signature :
        cctbx::sgtbx::space_group lattice_symmetry_group(cctbx::uctbx::unit_cell [,double=3.0 [,bool=True]])
n_fold_operator_from_axis_direction(...)
n_fold_operator_from_axis_direction( (object)ev_cart, (int)n [, (int)sense=1]) -> tuple :
 
    C++ signature :
        scitbx::mat3<double> n_fold_operator_from_axis_direction(scitbx::vec3<double>,int [,int=1])
reference_space_group_infos()
special_op_simplifier(special_op)
vec3_rat_from_str(s)

 
Data
        cb_r_den = 12
cb_t_den = 144
division = _Feature((2, 2, 0, 'alpha', 2), (3, 0, 0, 'alpha', 0), 8192)
rhombohedral_hermann_mauguin_symbols = ['R 3', 'R -3', 'R 3 2', 'R 3 m', 'R 3 c', 'R -3 m', 'R -3 c']
sg_t_den = 12