diffpy.structure 3.2.2rc1__tar.gz → 3.2.3__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/PKG-INFO +13 -6
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/README.rst +11 -4
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/pyproject.toml +4 -1
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/apps/anyeye.py +1 -1
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy.structure.egg-info/PKG-INFO +13 -6
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy.structure.egg-info/SOURCES.txt +1 -0
- diffpy_structure-3.2.3/src/diffpy.structure.egg-info/entry_points.txt +2 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/AUTHORS.rst +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/LICENSE.rst +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/LICENSE_DANSE.rst +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/LICENSE_pymmlib.rst +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/MANIFEST.in +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/requirements/build.txt +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/requirements/conda.txt +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/requirements/docs.txt +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/requirements/pip.txt +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/requirements/test.txt +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/setup.cfg +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/__init__.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/__init__.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/_legacy_importer.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/apps/__init__.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/apps/transtru.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/atom.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/expansion/__init__.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/expansion/makeellipsoid.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/expansion/shapeutils.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/expansion/supercell_mod.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/lattice.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/mmlibspacegroups.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/__init__.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/p_auto.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/p_cif.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/p_discus.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/p_pdb.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/p_pdffit.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/p_rawxyz.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/p_xcfg.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/p_xyz.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/parser_index_mod.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/parsers/structureparser.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/pdffitstructure.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/sgtbxspacegroups.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/spacegroupmod.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/spacegroups.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/structure.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/structureerrors.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/symmetryutilities.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/utils.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy/structure/version.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy.structure.egg-info/dependency_links.txt +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy.structure.egg-info/requires.txt +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy.structure.egg-info/top_level.txt +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/conftest.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_atom.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_lattice.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_loadstructure.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_p_cif.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_p_discus.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_p_pdffit.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_parsers.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_spacegroups.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_structure.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_supercell.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_symmetryutilities.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/test_version.py +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/BubbleRaftShort.xcfg +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/CdSe_bulk.stru +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/LiCl-bad.cif +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/Ni-bad.stru +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/Ni-discus.stru +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/Ni.stru +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/Ni_prim123.stru +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/Ni_ref.cif +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/PbTe.cif +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/TeI-unkocc.cif +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/TeI.cif +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/ZnSb_RT_Q28X_VM_20_fxiso.rstr +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/arginine.pdb +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/badspacegroup.cif +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/bucky-bad1.xyz +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/bucky-bad2.xyz +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/bucky-plain-bad.xyz +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/bucky-plain.xyz +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/bucky-raw.xyz +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/bucky.xyz +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/curlybrackets.cif +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/customsg.cif +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/graphite.cif +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/hexagon-raw-bad.xyz +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/hexagon-raw.xy +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/hexagon-raw.xyz +0 -0
- {diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/tests/testdata/nosites.cif +0 -0
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Metadata-Version: 2.1
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Name: diffpy.structure
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Version: 3.2.
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Version: 3.2.3
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Summary: Crystal structure container and parsers for structure formats.
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Author-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
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Maintainer-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
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Classifier: Programming Language :: Python :: 3.12
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Classifier: Topic :: Scientific/Engineering :: Physics
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Classifier: Topic :: Scientific/Engineering :: Chemistry
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Requires-Python: <3.13,>=3.10
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Description-Content-Type: text/x-rst
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License-File: LICENSE.rst
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License-File: LICENSE_DANSE.rst
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The following creates and activates a new environment named ``diffpy.structure_env`` ::
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conda activate diffpy.structure_env
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The output should print the latest version displayed on the badges above.
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If the above does not work, you can use ``pip`` to download and install the latest release from
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`Python Package Index <https://pypi.python.org>`_.
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To install using ``pip`` into your ``diffpy.structure_env`` environment, type ::
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pip install .
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Getting Started
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---------------
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You may consult our `online documentation <https://diffpy.github.io/diffpy.structure>`_ for tutorials and API references.
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Support and Contribute
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----------------------
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Getting Started
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---------------
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You may consult our `online documentation <https://diffpy.github.io/diffpy.structure>`_ for tutorials and API references.
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Support and Contribute
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----------------------
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description = "Crystal structure container and parsers for structure formats."
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keywords = ['diffpy', 'crystal structure data storage CIF PDB']
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readme = "README.rst"
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requires-python = ">=3.10, <3.13"
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classifiers = [
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[project.scripts]
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transtru = "diffpy.structure.apps.transtru:main"
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template = "{tag}"
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spawnargs = (pd["viewer"], pd["viewer"], pd["tmpfile"], env)
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watchStructureFile(pd)
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Name: diffpy.structure
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Summary: Crystal structure container and parsers for structure formats.
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Author-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
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License-File: LICENSE.rst
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License-File: LICENSE_DANSE.rst
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pip install .
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Getting Started
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---------------
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You may consult our `online documentation <https://diffpy.github.io/diffpy.structure>`_ for tutorials and API references.
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Support and Contribute
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----------------------
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{diffpy_structure-3.2.2rc1 → diffpy_structure-3.2.3}/src/diffpy.structure.egg-info/SOURCES.txt
RENAMED
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