Class SpaceGroup

Create an instance.

Parameters:

• definition_id (int) - the id of the definition, i.e. a number ranging from 1 to 291 (some of the 230 space groups have more than a single unit cell definition).
• space_group_id (int) - the id of the space group, i.e. a number ranging from 1 to 230, which the number of space groups.
• ichoice (int) - the space group setting index
• num_choices (int) - the number of different unit cell settings for this space group. For example, a setting may be a choice of axes, etc.
• space_group_short_name (string) - the short Hermann-Mauguin symbol of the space group.
• space_group_full_name (string) - the full Hermann-Mauguin symbol of the space group.
• point_group_name (string) - the name of the point group of the space group.
• centering_opers (list of numpy.matrix) - contains the centering matricies of the space group.
• primary_opers (list of numpy.matrix) - contains the primary matricies of the space group.
• symmetry_opers (list of numpy.matrix) - contains the symmetry matricies of the space group, i.e. the combinations of the centering and primary matricies.
• centering_opers_strs (list) - string representation of the centering operators.
• primary_opers_strs (list) - string representation of the primary operators.
• symmetry_opers_strs (list) - string representation of the symmetry operators, i.e. the combination of the centering and primary string representations.
• crystal_system (one of the sevel crystal system objects) - the crystal system.
• xyzasu (str) - the xyzasu descriptor which will be parsed but not used
• spgsetting (str) - the setting of the space group

Overrides: object.__init__

Representation of this class.

Overrides: object.__repr__

Log a formatted print of all of the symmetry operators for this space group.

Parameters:

• logger (logging.getLogger) - output logger

Print a space group object in mmspg/spgbase.dat format.

Parameters:

• logger (logging.getLogger) - output logger