v0.2.1

v0.2.1 - 2025-03-12

Added

• New additional_columns parameter for build_unit_cell that allows the return of atom site labels and similar data alongside unit cell positions.
• Ensured consistent ordering of lattice positions returned from build_unit_cell.
• CI testing on Windows and macOS

Fixed

• Type hints now properly link to their associated documentation.

v0.2.0

v0.2.0 - 2025-02-19

Added

• Support for nonsimple (';'-delimited) data entries.
• Improved support for entries containing special characters.
• Ability to query multiple keys or columns simultaneously.
• Additional tests for AMCSD and zeolite databases.
• Additional documentation and examples for the new interface

Changed

• Primary interface is now the CifFile object, which supports all previously implemented features in addition to several new methods.
• Files are now parsed lazily, and are traversed a single time.

Dependencies

• Added more-itertools as a dependency for peekable iterators