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Update Changelog, link to objcryst++ documentation. Version 2024.2.1
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vincefn committed Oct 17, 2024
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8 changes: 8 additions & 0 deletions CHANGELOG.md
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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
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2 changes: 1 addition & 1 deletion setup.py
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# Use this version when git data are not available as in a git zip archive.
# Update when tagging a new release.
FALLBACK_VERSION = '2024.2'
FALLBACK_VERSION = '2024.2.1'

# define extension arguments here
ext_kws = {
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2 changes: 1 addition & 1 deletion src/pyobjcryst/__init__.py
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Objects are wrapped according to their header file in the ObjCryst source.
See the online ObjCryst++ documentation (https://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Modules
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2 changes: 1 addition & 1 deletion src/pyobjcryst/atom.py
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"""Python wrapping of Atom.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::Atom
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2 changes: 1 addition & 1 deletion src/pyobjcryst/crystal.py
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"""Python wrapping of Crystal.h.
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::Crystal
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2 changes: 1 addition & 1 deletion src/pyobjcryst/diffractiondatasinglecrystal.py
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"""Python wrapping of DiffractionDataSingleCrystal.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::DiffractionDataSingleCrystal::
In development !
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2 changes: 1 addition & 1 deletion src/pyobjcryst/general.py
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"""Python wrapping of things from General.h.
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
"""

__all__ = ["RadiationType", "ObjCrystException", "WavelengthType"]
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2 changes: 1 addition & 1 deletion src/pyobjcryst/globaloptim.py
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"""Python wrapping of GlobalOptimObj.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::MonteCarloObj::
In development !
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2 changes: 1 addition & 1 deletion src/pyobjcryst/indexing.py
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"""Python wrapping of UnitCell.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
"""

__all__ = ["CrystalSystem", "CrystalCentering", "EstimateCellVolume",
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2 changes: 1 addition & 1 deletion src/pyobjcryst/io.py
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"""Python wrapping of IO.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::XMLCrystTag
- The istream constructor of XMLCrystTag is not wrapped.
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2 changes: 1 addition & 1 deletion src/pyobjcryst/lsq.py
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"""Python wrapping of LSQNumObj.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::LSQNumObj::
In development !
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2 changes: 1 addition & 1 deletion src/pyobjcryst/molecule.py
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"""Python wrapping of Molecule.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::Molecule
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2 changes: 1 addition & 1 deletion src/pyobjcryst/polyhedron.py
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"""Python wrapping of Polyhedron.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
"""

__all__ = ["MakeTetrahedron", "MakeOctahedron", "MakeSquarePlane",
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2 changes: 1 addition & 1 deletion src/pyobjcryst/powderpattern.py
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"""Python wrapping of PowderPattern.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io/en/latest/).
Changes from ObjCryst::PowderPattern::
Additional functions for plotting, basic QPA and profile fitting.
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2 changes: 1 addition & 1 deletion src/pyobjcryst/radiation.py
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"""Python wrapping of Radiation from ScatteringData.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::Radiation::
In development !
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2 changes: 1 addition & 1 deletion src/pyobjcryst/refinableobj.py
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"""Python wrapping of RefinableObj.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::RefinableObj
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2 changes: 1 addition & 1 deletion src/pyobjcryst/reflectionprofile.py
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"""Python wrapping of PowderPattern.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::ReflectionProfile::
In development !
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2 changes: 1 addition & 1 deletion src/pyobjcryst/scatterer.py
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"""Python wrapping of Scatterer.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::Scatterer
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2 changes: 1 addition & 1 deletion src/pyobjcryst/scatteringdata.py
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"""Python wrapping of ScatteringData class.
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
"""

__all__ = ["ScatteringData"]
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2 changes: 1 addition & 1 deletion src/pyobjcryst/scatteringpower.py
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"""Python wrapping of ScatteringPower.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::ScatteringComponent
- Added attributes X, Y, Z, Occupancy to conform to MolAtom.
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2 changes: 1 addition & 1 deletion src/pyobjcryst/scatteringpowersphere.py
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"""Python wrapping of ScatteringPowerSphere.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
"""

__all__ = ["ScatteringPowerSphere"]
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2 changes: 1 addition & 1 deletion src/pyobjcryst/spacegroup.py
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"""Python wrapping of SpaceGroup.h.
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
"""

__all__ = ["SpaceGroup", "AsymmetricUnit"]
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2 changes: 1 addition & 1 deletion src/pyobjcryst/unitcell.py
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"""Python wrapping of UnitCell.h
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
"""

__all__ = ["UnitCell"]
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2 changes: 1 addition & 1 deletion src/pyobjcryst/zscatterer.py
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"""Python wrapping of Zscatterer.
See the online ObjCryst++ documentation (http://vincefn.net/ObjCryst/).
See the online ObjCryst++ documentation (https://objcryst.readthedocs.io).
Changes from ObjCryst::ZAtom
- XMLOutput and Input are not wrapped.
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