Package diffpy :: Package Structure :: Module SpaceGroups :: Class SpaceGroup

Class SpaceGroup

object --+
         |
        SpaceGroup

Contains the various names and symmetry operations for one space
group.

Instance Methods

[hide private]

__init__(self, number=None, num_sym_equiv=None, num_primitive_sym_equiv=None, short_name=None, alt_name=None, point_group_name=None, crystal_system=None, pdb_name=None, symop_list=None)
x.__init__(...) initializes x; see x.__class__.__doc__ for signature

source code

check_group_name(self, name)
Checks if the given name is a name for this space group, returns True or False.

source code

iter_equivalent_positions(self, vec)
Iterate the symmetry equivelant positions of the argument vector.

source code

iter_symops(self)
Iterates over all SymOps in the SpaceGroup.

source code

Inherited from object: __delattr__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __str__

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, number=None, num_sym_equiv=None, num_primitive_sym_equiv=None, short_name=None, alt_name=None, point_group_name=None, crystal_system=None, pdb_name=None, symop_list=None)
(Constructor)

source code

x.__init__(...) initializes x; see x.__class__.__doc__ for signature

Overrides: object.__init__: (inherited documentation)

check_group_name(self, name)

source code

Checks if the given name is a name for this space group,
returns True or False.  The space group name can be in several forms:
the short name, the longer PDB-style name, or the space group number.

iter_equivalent_positions(self, vec)

source code

Iterate the symmetry equivelant positions of the argument vector.
The vector must already be in fractional coordinates, and the
symmetry equivelant vectors are also in fractional coordinates.

Class SpaceGroup

__init__(self, number=None, num_sym_equiv=None, num_primitive_sym_equiv=None, short_name=None, alt_name=None, point_group_name=None, crystal_system=None, pdb_name=None, symop_list=None) (Constructor)

check_group_name(self, name)

iter_equivalent_positions(self, vec)

init(self, number=None, num_sym_equiv=None, num_primitive_sym_equiv=None, short_name=None, alt_name=None, point_group_name=None, crystal_system=None, pdb_name=None, symop_list=None)
(Constructor)