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Update Changelog, link to objcryst++ documentation. Version 2024.2.1
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CHANGELOG.md

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# Release notes
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## Version 2024.2.1
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### Changes
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- PowderPattern:
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- fix re-using a matplotlib figure when plotting
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- add 'figure' property
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## Version 2024.2
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### Changes

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 = '2024.2'
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FALLBACK_VERSION = '2024.2.1'
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# define extension arguments here
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ext_kws = {

src/pyobjcryst/__init__.py

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Objects are wrapped according to their header file in the ObjCryst source.
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See the online ObjCryst++ documentation (https://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Modules
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src/pyobjcryst/atom.py

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"""Python wrapping of Atom.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::Atom
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src/pyobjcryst/crystal.py

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"""Python wrapping of Crystal.h.
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::Crystal
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src/pyobjcryst/diffractiondatasinglecrystal.py

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"""Python wrapping of DiffractionDataSingleCrystal.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::DiffractionDataSingleCrystal::
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In development !

src/pyobjcryst/general.py

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"""Python wrapping of things from General.h.
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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"""
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__all__ = ["RadiationType", "ObjCrystException", "WavelengthType"]

src/pyobjcryst/globaloptim.py

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"""Python wrapping of GlobalOptimObj.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::MonteCarloObj::
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In development !

src/pyobjcryst/indexing.py

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"""Python wrapping of UnitCell.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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"""
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__all__ = ["CrystalSystem", "CrystalCentering", "EstimateCellVolume",

src/pyobjcryst/io.py

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"""Python wrapping of IO.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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- The istream constructor of XMLCrystTag is not wrapped.

src/pyobjcryst/lsq.py

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"""Python wrapping of LSQNumObj.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::LSQNumObj::
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In development !

src/pyobjcryst/molecule.py

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"""Python wrapping of Molecule.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::Molecule
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src/pyobjcryst/polyhedron.py

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"""Python wrapping of Polyhedron.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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"""
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__all__ = ["MakeTetrahedron", "MakeOctahedron", "MakeSquarePlane",

src/pyobjcryst/powderpattern.py

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"""Python wrapping of PowderPattern.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io/en/latest/).
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Changes from ObjCryst::PowderPattern::
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Additional functions for plotting, basic QPA and profile fitting.

src/pyobjcryst/radiation.py

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"""Python wrapping of Radiation from ScatteringData.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::Radiation::
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In development !

src/pyobjcryst/refinableobj.py

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"""Python wrapping of RefinableObj.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::RefinableObj
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src/pyobjcryst/reflectionprofile.py

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"""Python wrapping of PowderPattern.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::ReflectionProfile::
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In development !

src/pyobjcryst/scatterer.py

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"""Python wrapping of Scatterer.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::Scatterer
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src/pyobjcryst/scatteringdata.py

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"""Python wrapping of ScatteringData class.
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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"""
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__all__ = ["ScatteringData"]

src/pyobjcryst/scatteringpower.py

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"""Python wrapping of ScatteringPower.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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- Added attributes X, Y, Z, Occupancy to conform to MolAtom.

src/pyobjcryst/scatteringpowersphere.py

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"""Python wrapping of ScatteringPowerSphere.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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"""
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__all__ = ["ScatteringPowerSphere"]

src/pyobjcryst/spacegroup.py

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"""Python wrapping of SpaceGroup.h.
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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"""
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__all__ = ["SpaceGroup", "AsymmetricUnit"]

src/pyobjcryst/unitcell.py

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"""Python wrapping of UnitCell.h
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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"""
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__all__ = ["UnitCell"]

src/pyobjcryst/zscatterer.py

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"""Python wrapping of Zscatterer.
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See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
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See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
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Changes from ObjCryst::ZAtom
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- XMLOutput and Input are not wrapped.

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