Release notes

0.1.1

Added:

  • A “Migrating from diffpy.srfit.structure” documentation page that lists every renamed function, method, attribute and argument.

  • The npintensity.py and npintensityII.py examples from diffpy.srfit, updated to the diffpy.cmistructure names.

  • A “Making a structure adapter” documentation page that explains how to adapt another structure representation for use with diffpy.cmistructure.

Changed:

  • Use the same license as diffpy.srfit: LICENSE.rst, the documentation License page and the License :: Free To Use But Restricted classifier now match it.

  • Update Simon Billinge’s contact email in LICENSE_DANSE.rst.

Fixed:

  • Require diffpy.srfit 3.4.0 or later. Older versions lack the methods diffpy.cmistructure calls, so installing it next to diffpy.srfit 3.3.1 failed at run time.

Removed:

  • Support for Python 3.11. diffpy.srfit 3.4.0, which diffpy.cmistructure requires, needs Python 3.12 or later.

0.1.0

Added:

  • constrain_as_space_group also accepts a generator, such as a PDFGenerator, whose .phase is the structure parameter set, for example constrain_as_space_group(generator, "Fm-3m").