Python module brille

This module provides access to the C++ brille library which can be used to interact with spacegroup and pointgroup symmetry operations, to determine the first Brillouin zone for a given real space crystallographic lattice, to find _an_ irreducible polyhedron from the first Brillouin zone and the pointgroup operations of a spacegroup, to construct polyhedron-filling connected point networks, and to perform linear-interpolation of user-provided data for any reciprocal space point at a symmetry-equivalent position within the connected point network.

pybind11 module brille._brille

This module provides the interface to the C++ library.

All of the symbols defined within _brille are imported by brille to make using them that much easier. If in doubt, the interfaced classes can be accessed via their submodule syntax brille._brille.

class brille._brille.Bravais

Members:

invalid

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property name

handle) -> str

Type

(self

class brille._brille.HallSymbol

A crystallographic spacegroup’s symmetries encoded in Hall’s notation

Hall proposed a compact unambiguous notation for the representation of the generators of a spacegroup. Within his notation each motion is comprised of a character with one or more subscripts and superscripts which describe its order, unique axis, and translation. The notation specifies that, depending on the position of a motion and details of any preceeding motion, some or all of the sub- and superscripts can be omitted. The HallSymbol has been written to handle the logic necessary to decode a Hall symbol into its equivalent motions. An added compilcation arises when the Hall symbol is encoded as an ASCII string. Namely, there are no sub- or superscript glyphs and some scheme must be enacted to represent them.

class brille._brille.SortingStatus

An object representing the status of a single object under sorting.

Internally may be represented as a single unsigned integer where two or more bits are reserved for various flags, or as a set of boolean values and an integer.

property locked

Return the locked flag

property sorted

Return the sorted flag

property visits

Return the visit count

brille._brille.emit(*args, **kwargs)

Overloaded function.

  1. emit() -> bool

  2. emit(brille::printer emit status: bool) -> bool

brille._brille.emit_datetime(*args, **kwargs)

Overloaded function.

  1. emit_datetime() -> bool

  2. emit_datetime(brille::printer emit datetime status: bool) -> bool