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Releases: HEXRD/hexrd

Release 0.9.6

18 Jun 14:03
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Overview

HEXRD 0.9.6 introduces a few new features compared to the last version. A few highlights are listed below:

  • Allow Euler angle convention to be specified for the calibration workflows (it was fixed to intrinsic ZXZ before - but some workflows need other conventions such as extrinsic XYZ)
  • Added support for a new (optional) image series format: EigerStreamV1, which is the current file format we are streaming off the Eiger detector at CHESS
  • Added a new image series adapter for arbitrary functions
  • A few improvements to WPPF refinements

What's Changed

Full Changelog: 0.9.5...0.9.6

Release 0.9.5

30 Apr 22:17
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Overview

HEXRD 0.9.5 introduces numerous features and improvements. A few highlights are listed below:

  • Refactored instrument, powder, and laue calibrators to use lmfit (including boundary conditions)
  • Added pressure and temperature calculations for adjusting lattice parameters
  • Added detector and instrument templates
  • Improvements to the GE inverse distortion function performance
  • Several performance improvements and bug fixes

The full list of changes are provided below.

What's Changed

Full Changelog: 0.9.4...0.9.5

Release 0.9.4

20 Oct 17:22
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  • Added support for Python3.11, resulting in noticeable performance improvements
  • Added conda packages for osx-arm64 (Apple computers after 2019)
  • Implemented build time optimization that results in performance improvements
  • Added ability to cancel fit-grains programmatically
  • Changed PXRDIP default polar angle to 67.5
  • Improved TARDIS distance between plates constraint
  • Implemented a few bug fixes, including one with memoization

Release 0.9.3

13 Jun 15:49
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A variety of new features have been added, including:

  • support for a cylindrical detector (used primarily in TARDIS currently)
  • new Rygg pinhole distortion method (used primarily for TARDIS and PXRDIP)
  • new structureless calibration class
  • support for GEL files

For the HEDM workflow:

  • large performance improvements to fit-grains (including through the use of updated C transforms, and a major reduction in the amount of memory used)
  • namedtuple grains output
  • fixed an HKL reset issue in fit-grains
  • new options for selecting which HKLs to exclude when running from the CLI

Minor updates for LLNL pinhole camera utilities

28 Oct 16:52
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Release for FY23Q1 LLNL tutorials

What's Changed

Full Changelog: 0.9.1...0.9.2

Running changes for hexrdgui 0.9.0 compatability

07 Oct 18:29
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What's Changed

Full Changelog: 0.9.0...0.9.1

API change and pinhole camera distortion tools

16 Sep 16:53
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Major release

In addition to the API change in the ff-HEDM config object and associated η-ω maps, the PowderCalibrator class can now accept an xrdutil.phutil.SampleLayerDistortion class to apply the 2θ distortion associated with an offset sample layer in a pinhole camera instrument (e.g., TARDIS, PXRDIP). The corresponding class for actual pinhole lines themselves is not yet implemented (staged, using functions from @ryanrygg). Below is a simulated TARDIS image with the cyan and orange overlays coming from 5μm thick layers at 150μm and 250μm offsets, respectively; the aforementioned distortion caused the nominal 2θ values to appear curved (note the simulation captures the distortion effect on account of being voxelated, while the correction follows @ryanrygg's Eq 10 from the TARDIS paper.

TARDIS_with_pinhole_distortion

As for the ff-HEDM config API, now the hkls used for constructing the η-ω maps are specified by the explicit list of (h, k, l) indices (any symmetric equivalent) or the list of global G-vector ids from the material (less preferred). This removes the ambiguity associated with the previous convention of using indices into the reduced hkl list. For example,:

find_orientations:
  orientation_maps:
    # A file name must be specified. If it doesn't exist, one will be created
    file: null

    threshold: 250 # threshold on raw images to build maps
    bin_frames: 1 # how many successive frames to bin. default is 1

    # specify which hkls to use
    # "all", or a list of hkl indices.  Note that the default value of "all"
    # means all hkls that are not marked as excluded in the material definition.
    # can be a list of indices or a list of [h, k, l].
    # !!! used to be active_hkls: [0,1,2,3,4,5]
    # !!! this was really [0,1,2,4,6,7] considering the material parameters above
    active_hkls:
      - [0, 1, 2]
      - [1, 0, 4]
      - [1, 1, 0]
      - [1, 1, 3]
      - [0, 2, 4]
      - [1, 1, 6]

What's Changed

New Contributors

Full Changelog: 0.8.21...0.9.0

Minor bug fix to multi-wedge indexing

16 Aug 18:15
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There was a check added to the multi-wedge capability in the ff-HEDM indexing workflow that was throwing a TypeError in hexrd 0.8.20. This release resolved that issue. There was also an issue in the CI with fabio relating to the lack of a wheel for the latest.

What's Changed

  • Pin fabio to 0.12 on the Mac by @cjh1 in #462

Full Changelog: 0.8.20...0.8.21

Stability and performance upgrades.

10 Aug 17:00
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What's Changed

Full Changelog: 0.8.19...0.8.20

New features and performance enhancements

26 Apr 17:52
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Some salient updates

  1. HEDM indexer can now handle discontinuities in ω range ("broken scans")
  2. Robustness added to powder line fitting via lmfit models with constraints
  3. Various bug fixes and platform-specific stablility fixes.

What's Changed

Full Changelog: 0.8.18...0.8.19