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CHANGELOG.md

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# Release notes
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## Version 2024.2
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### Changes
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- DiffractionDataSingleCrystal: add SetHklIobs, SetIobs, SetSigma, GetSigma,
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GetChi2, FitScaleFactorForRw and FitScaleFactorForR
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(https://github.com/diffpy/pyobjcryst/issues/42)
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- Add a single crystal data notebook example
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- Online documentation notebooks now include the plots
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(https://pyobjcryst.readthedocs.io/en/latest/examples)
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### Fixes
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- From libobjcryst: update the ScatteringComponentList when a Scatterer is removed
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from a Crystal (https://github.com/diffpy/pyobjcryst/issues/41)
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## Version 2024.1
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### Changes
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### Changes
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- Raise an exception if alpha, beta or gamma are not within ]0;pi[ when
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- Raise an exception if alpha, beta or gamma are not within ]0;pi[ when
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changing lattice angles
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- Add UnitCell.ChangeSpaceGroup()
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### Changes
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- the list of HKL reflections will now be automatically be re-generated
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- the list of HKL reflections will now be automatically be re-generated
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for a PowderPatternDiffraction when the Crystal's spacegroup changes,
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or the lattice parameters are modified by more than 0.5%
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### Changes
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- Add correct wrapping for C++-instantiated objects available through global
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registries, e.g. when loading an XML file. The objects are decorated with
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- Add correct wrapping for C++-instantiated objects available through global
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registries, e.g. when loading an XML file. The objects are decorated with
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the python functions when accessed through the global registries GetObj()
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- Moved global object registries to pyobjcryst.globals
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- Update documentation
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### Fixed
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- Fix access to PRISM_TETRAGONAL_DICAP, PRISM_TRIGONAL,
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- Fix access to PRISM_TETRAGONAL_DICAP, PRISM_TRIGONAL,
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ICOSAHEDRON and TRIANGLE_PLANE.
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- Fix powder pattern plot issues (NaN and update of hkl text with recent
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- Fix powder pattern plot issues (NaN and update of hkl text with recent
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matplotlib versions)
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## Version 2.2.1 -- 2021-11-28
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- Add quantitative phase analysis with PowderPattern.qpa(), including
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an example notebook using the QPA Round-Robin data.
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- Correct import of urllib.request.urllopen() when loading CIF or z-matrix
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- Correct import of urllib.request.urllopen() when loading CIF or z-matrix
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files from http urls.
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- Fix blank line javascript output when updating the Crystal 3D view
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- Add RefinableObj.xml() to directly get the XMLOutput() as a string

doc/environment.yml

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name: readthedocs
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channels:
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- defaults
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- conda-forge
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dependencies:
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- pip

setup.py

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# Use this version when git data are not available as in a git zip archive.
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# Update when tagging a new release.
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FALLBACK_VERSION = '2024.1.1'
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FALLBACK_VERSION = '2024.2'
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# define extension arguments here
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ext_kws = {

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