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# Release notes
## Version 2024.2.1
### Changes
- PowderPattern:
- fix re-using a matplotlib figure when plotting
- add 'figure' property
## Version 2024.2
### Changes
- DiffractionDataSingleCrystal: add SetHklIobs, SetIobs, SetSigma, GetSigma,
GetChi2, FitScaleFactorForRw and FitScaleFactorForR
(https://github.com/diffpy/pyobjcryst/issues/42)
- Add a single crystal data notebook example
- Online documentation notebooks now include the plots
(https://pyobjcryst.readthedocs.io/en/latest/examples)
### Fixes
- From libobjcryst: update the ScatteringComponentList when a Scatterer is removed
from a Crystal (https://github.com/diffpy/pyobjcryst/issues/41)
## Version 2024.1
### Changes
- Add python access to MolZAtom, for Molecule.AsZMatrix()
## Version 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
## Version 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
## Version 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
## Version 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
## Version 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)
## Version 2.2.1 -- 2021-11-28
- 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).
## Version 2.2.0 -- 2021-06-08
Notable differences from version 2.1.0.
- Add access to Radiation class & functions to change RadiationType,
wavelength in PowderPattern and ScatteringData (and hence
DiffractionDataSingleCrystal) classes.
- Fix the custodian_ward when creating a PowderPatternDiffraction:
PowderPatternDiffraction must persist while PowderPattern exists, and
Crystal must persist while PowderPatternDiffraction exists.
- Add 3D Crystal viewer `pyobjcryst.crystal.Crystal.widget_3d`.
## Version 2.1.0 -- 2019-03-11
Notable differences from version 2.0.1.
### Added
- Support for Python 3.7.
- Validation of compiler options from `python-config`.
- Make scons scripts compatible with Python 3 and Python 2.
- Support np.array arguments for `SetPowderPatternX`, `SetPowderPatternObs`.
- Declare compatible version requirements for client Anaconda packages.
- Facility for silencing spurious console output from libobjcryst.
### Changed
- Build Anaconda package with Anaconda C++ compiler.
- Update to libobjcryst 2017.2.x.
### Deprecated
- Variable `__gitsha__` in the `version` module which was renamed
to `__git_commit__`.
### Removed
- Support for Python 3.4.
### Fixed
- Ambiguous use of boost::python classes and functions.
- Name suffix resolution of `boost_python` shared library.
- `SetPowderPatternX` crash for zero-length argument.
- Incorrectly doubled return value from `GetInversionCenter`.
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