iotbx.cif
index
/net/chevy/raid1/nat/src/cctbx_project/iotbx/cif/__init__.py

R. J. Gildea, L. J. Bourhis, O. V. Dolomanov, R. W. Grosse-Kunstleve,
H. Puschmann, P. D. Adams and J. A. K. Howard:
iotbx.cif: a comprehensive CIF toolbox.
J. Appl. Cryst. (2011). 44, 1259-1263.
 
http://dx.doi.org/10.1107/S0021889811041161
 
http://cctbx.sourceforge.net/iotbx_cif

 
Package Contents
       
builders
cod_tools
crystal_symmetry_from_cif
errors
geometry
model
restraints
validation

 
Classes
       
__builtin__.object
cctbx_data_structures_from_cif
crystal_symmetry_as_cif_block
miller_arrays_as_cif_block
xray_structure_as_cif_block
reader
reader

 
class cctbx_data_structures_from_cif(__builtin__.object)
     Methods defined here:
__init__(self, file_object=None, file_path=None, cif_model=None, data_structure_builder=None, data_block_name=None, base_array_info=None, **kwds)

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

 
class crystal_symmetry_as_cif_block(__builtin__.object)
     Methods defined here:
__init__(self, crystal_symmetry, cell_covariance_matrix=None, format='coreCIF')

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

 
fast_reader = class reader(__builtin__.object)
     Methods defined here:
__init__(self, file_path=None, file_object=None, input_string=None, cif_object=None, builder=None, raise_if_errors=True, strict=True)
as_miller_arrays(self, data_block_name=None, crystal_symmetry=None, force_symmetry=False, merge_equivalents=True, base_array_info=None)
build_crystal_structures(self, data_block_name=None)
build_miller_arrays(self, data_block_name=None, base_array_info=None)
error_count(self)
model(self)
show_errors(self, max_errors=50, out=None)

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

 
class miller_arrays_as_cif_block(crystal_symmetry_as_cif_block)
    
Method resolution order:
miller_arrays_as_cif_block
crystal_symmetry_as_cif_block
__builtin__.object

Methods defined here:
__init__(self, array, array_type=None, column_name=None, column_names=None, miller_index_prefix='_refln', format='coreCIF')
add_miller_array(self, array, array_type=None, column_name=None, column_names=None)
Accepts a miller array, and one of array_type, column_name or column_names.

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

 
class reader(__builtin__.object)
     Methods defined here:
__init__(self, file_path=None, file_object=None, input_string=None, cif_object=None, builder=None, raise_if_errors=True, strict=True)
as_miller_arrays(self, data_block_name=None, crystal_symmetry=None, force_symmetry=False, merge_equivalents=True, base_array_info=None)
build_crystal_structures(self, data_block_name=None)
build_miller_arrays(self, data_block_name=None, base_array_info=None)
error_count(self)
model(self)
show_errors(self, max_errors=50, out=None)

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

 
class xray_structure_as_cif_block(crystal_symmetry_as_cif_block)
    
Method resolution order:
xray_structure_as_cif_block
crystal_symmetry_as_cif_block
__builtin__.object

Methods defined here:
__init__(self, xray_structure, covariance_matrix=None, cell_covariance_matrix=None)

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

 
Functions
       
atom_type_cif_loop(xray_structure, format='coreCIF')
miller_indices_as_cif_loop(indices, prefix='_refln_')

 
Data
        division = _Feature((2, 2, 0, 'alpha', 2), (3, 0, 0, 'alpha', 0), 8192)