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Release History

v1.1 (expected by 2022-07-24)

User-requested changes

Maintenance

Fixes

  • util.run_orientation_info() failed when no primary stream present.

Maintenance

  • util.list_orientation_runs() added progress bar.

v1.0.3 (expected by 2022-06-24)

Maintenance release.

Maintenance

  • Publish to PyPI from GitHub Actions workflow.
  • Enable installation by pip.
  • Update the conda environment.
  • Show how to install hklpy.
  • Revise how Jupyter notebook examples are published.

v1.0.2 (2022-06-14)

Maintenance release.

Maintenance

  • No longer need to import gi; gi.require_version('Hkl', '5.0') first. Just import hkl and the other steps will be done by the package.

v1.0.1 (2021-09-20)

Maintenance release.

Maintenance

  • Increase precision of A_KEV constant to match 2018 CODATA value.
  • Document the max_forward_iterations attribute.
  • Provide project description for PyPI packaging.

Contributors

  • Andi Barbour, NSLS-II

v1.0.0 (2021-09-13)

First production release.

Breaking Changes

  • Python 3.6 no longer supported.
  • Constraint moved from hkl.diffract to hkl.util
  • Wavelength now saved with each reflection
  • Wavelength and lattice parameters in Angstroms now
  • TwoC geometry removed since no calculation engines are defined for it in _libhkl_
  • SOLEIL_SIXS geometry removed since it is not described in _libhkl_
  • MED2+3 renamed to SOLEIL SIXS MED2+3
  • Conda package is built for linux-64 only due to _libhkl_ requirement

New Features and/or Enhancements

  • Conda package available on conda-forge: conda install -c conda-forge hklpy
  • Import any diffractometer from top level hkl (not from hkl.diffract): from hkl import E4CV
  • Support save and restore of UB matrix
  • Can swap the order of the two crystal orientation reflections.
  • Constant: hkl.SI_LATTICE_PARAMETER
  • How-To guides * add extra axes to a diffractometer * rename physical axes of a diffractometer * use additional diffractometer parameters * use the Q calculation engine of E4CV
  • Specify calculation engine when creating a diffractometer.
  • Simplified user interface when working with one diffractometer.
  • Versions of component software packages now available.

Maintenance

  • Clarify 6-circle geometries with drawings & labels
  • Table of all defined diffractometers and their supported engines
  • Show the value used by kappa geometry angle $alpha$ (50 degrees)
  • Show how wavelength and other reflection information are held in _libhkl_

Contributors

  • Andi Barbour, NSLS-II
  • Jennifer Bui, (NSLS-II) Brown Univ.
  • Thomas Caswell, NSLS-II
  • Yongseong Choi, APS
  • Gilberto Fabbris, APS
  • Jong Woo Kim, APS
  • Katherine Perez, (NSLS-II) LSU
  • Fanny Rodolakis, APS
  • Jorg Strempfer, APS
  • Andrew Walter, NSLS-II
  • Stuart Wilkins, NSLS-II

v0.3.16 (2021-04-28)

Full list of changes is on the wiki v0.3.16.

Breaking Changes

  • Diffractometer geometries have moved from hkl.diffract to (the new) hkl.geometries, such as hkl.geometries.E4CV.

New Features and/or Enhancements

  • Diffractometer additions from apstools
    • simple user interface for a diffractometer
    • constraints
  • Create simulators for common geometries.
    • hkl.geometries.SimMixin for simulators.
  • compute_UB() now returns the UB matrix or None (previously returned 1 or 0)

Fixes

  • Ensure that diffractometer energy is read-only (and not modified) by changes in units or energy offset.
  • Diffractometer responds to energy, energy units, and energy offset PV updates now.

Maintenance

  • separate diffractometer geometry instances from base class
  • refer to the hkl C++ library code as libhkl
  • add Python 3.9 to unit test suite
  • now can use Python f-strings
  • re-arrange documentation structure
  • define __all__ in modules

v0.3.15 (2020-12-20)

Full list of changes is on the wiki v0.3.15.

Breaking Changes

  • Diffractometer wavelength must use angstrom units to match the lattice constants. Previously, wavelength was stated to be in nm. Instruments upgrading to this release should verify the units actually in use.

New Features and/or Enhancements

  • Diffractometer energy units can be specified. Unit conversions are handled by the pint [1] package.
  • Examples of E4CV, K4CV, and E6C diffractometer geometries.
  • Comparison of UB matrix calculation with SPEC data.
  • Source code documentation in hkl.diffract.
  • Show how to connect energy from local controls.
[1]pint: https://pint.readthedocs.io/en/stable/

Fixes

  • Limits-checking for hkl values now coordinated with upstream bluesky code.

Maintenance

Deprecations

  • All the previous examples have been archived and will be removed for the 1.0.0 release.

v0.3.14 (2020-09-28)