Pyobjcryst

Latest version: v2.2.6

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2.2.6

Changes

- Support for windows and python>=3.8
- Added a zoom limit for 3D crystal views

Fixes

- Correct error preventing pyobjcryst import for windows and python>=3.8
(https://github.com/diffpy/pyobjcryst/issues/33)
- Fix for matplotlib >=3.7.0 when removing hkl labels

2.2.5

Changes

- Raise an exception if alpha, beta or gamma are not within ]0;pi[ when
changing lattice angles
- Add UnitCell.ChangeSpaceGroup()

Fixes

- Avoid duplication of plots when using ipympl (aka %matplotlib widget)
- Correct powder pattern tests to avoid warnings

Deprecated

- loadCrystal - use create_crystal_from_cif() instead

2.2.4

Changes

- the list of HKL reflections will now be automatically be re-generated
for a PowderPatternDiffraction when the Crystal's spacegroup changes,
or the lattice parameters are modified by more than 0.5%

Fixes

- Fixed the powder pattern indexing test

2.2.3

Added

- Support for windows install (works with python 3.7, and
also -only with pypy- 3.8 and 3.9)
- Native support for Apple arm64 (M1, M2) processors
- Fourier maps calculation
- Add gDiffractionDataSingleCrystalRegistry to globals

2.2.2

Changes

- Add correct wrapping for C++-instantiated objects available through global
registries, e.g. when loading an XML file. The objects are decorated with
the python functions when accessed through the global registries GetObj()
- Moved global object registries to pyobjcryst.globals
- Update documentation

Fixed

- Fix access to PRISM_TETRAGONAL_DICAP, PRISM_TRIGONAL,
ICOSAHEDRON and TRIANGLE_PLANE.
- Fix powder pattern plot issues (NaN and update of hkl text with recent
matplotlib versions)

2.2.1

- Add quantitative phase analysis with PowderPattern.qpa(), including
an example notebook using the QPA Round-Robin data.
- Correct import of urllib.request.urllopen() when loading CIF or z-matrix
files from http urls.
- Fix blank line javascript output when updating the Crystal 3D view
- Add RefinableObj.xml() to directly get the XMLOutput() as a string
- Add example notebooks to the sphinx-generated html documentation
- Fix issue when using Crystal.XMLInput() for a non-empty structure.
Existing scattering power will be re-used when possible, and otherwise
not deleted anymore (which could lead to crashes).

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