Package schrodinger :: Package application :: Package matsci :: Package nano :: Module xtal :: Class SpaceGroups

Class SpaceGroups

object --+
         |
        SpaceGroups

Manage space group objects.

Instance Methods

[hide private]

__init__(self)
Create an instance.

getAllSpaceGroups(self)
Make a list of all SpaceGroup objects each of which contains some space group parameters from mmspg/spgbase.dat.

SpaceGroup

getSpgObjByName(self, name)
Get a space group object by name.

printAllSpgInfo(self, verbose, logger)
Print all space group information.

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

Class Variables

[hide private]

NUM_SPACE_GROUPS = 230

CRYSTAL_SYSTEMS = CrystalSystems()

MMSPG_DATABASE_VERSION = mm.MMSPG_DATABASE_VERSION_LATEST

CENTERING = 'centering'

PRIMARY = 'primary'

SYMMETRY = 'symmetry'

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self)
(Constructor)

Create an instance.

Overrides: object.__init__

getSpgObjByName(self, name)

Get a space group object by name.

Parameters:

name (str) - name can be a full Hermann-Mauguin symbol, checked first, or a short symbol, checked second. The first space group encountered with such a name is returned.

Returns: SpaceGroup

spgobj, the desired spgobj with name

printAllSpgInfo(self, verbose, logger)

Print all space group information.

Parameters:

verbose (bool) - verbose log
logger (logging.getLogger) - output logger

Class SpaceGroups

__init__(self) (Constructor)

getSpgObjByName(self, name)

printAllSpgInfo(self, verbose, logger)

init(self)
(Constructor)