Upcoming changes in Interchange 0.4

The 0.4.x line of releases will be limited to the following upstream versions:

  • Python >=3.10

  • Pydantic v2

  • Openff Toolkit >=0.15

The following attributes have been renamed and deprecated since version 0.3.0 and will be removed:

  • Interchange.handlers was renamed to Interchange.collections

  • Collection.slot_map was renamed to Collection.key_map

    • Note that this applies to all collections, i.e. SMIRNOFFProperTorsionCollection is a subclass of Collection

The + operator on Interchange objects, which has only been supported on an experimental basis, is removed and its functionality moved to Interchange.combine.