diffpy.structure 3.2.0__py3-none-any.whl
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.py +35 -0
- diffpy/__init__.py +23 -0
- diffpy/structure/__init__.py +93 -0
- diffpy/structure/_legacy_importer.py +88 -0
- diffpy/structure/apps/__init__.py +17 -0
- diffpy/structure/apps/anyeye.py +284 -0
- diffpy/structure/apps/transtru.py +126 -0
- diffpy/structure/atom.py +544 -0
- diffpy/structure/expansion/__init__.py +27 -0
- diffpy/structure/expansion/makeellipsoid.py +129 -0
- diffpy/structure/expansion/shapeutils.py +44 -0
- diffpy/structure/expansion/supercell_mod.py +91 -0
- diffpy/structure/lattice.py +663 -0
- diffpy/structure/mmlibspacegroups.py +8154 -0
- diffpy/structure/parsers/__init__.py +83 -0
- diffpy/structure/parsers/p_auto.py +217 -0
- diffpy/structure/parsers/p_cif.py +876 -0
- diffpy/structure/parsers/p_discus.py +312 -0
- diffpy/structure/parsers/p_pdb.py +405 -0
- diffpy/structure/parsers/p_pdffit.py +290 -0
- diffpy/structure/parsers/p_rawxyz.py +149 -0
- diffpy/structure/parsers/p_xcfg.py +457 -0
- diffpy/structure/parsers/p_xyz.py +161 -0
- diffpy/structure/parsers/parser_index_mod.py +108 -0
- diffpy/structure/parsers/structureparser.py +80 -0
- diffpy/structure/pdffitstructure.py +109 -0
- diffpy/structure/sgtbxspacegroups.py +5198 -0
- diffpy/structure/spacegroupmod.py +329 -0
- diffpy/structure/spacegroups.py +1441 -0
- diffpy/structure/structure.py +866 -0
- diffpy/structure/structureerrors.py +35 -0
- diffpy/structure/symmetryutilities.py +1100 -0
- diffpy/structure/utils.py +126 -0
- diffpy/structure/version.py +26 -0
- diffpy.structure-3.2.0.dist-info/AUTHORS.rst +13 -0
- diffpy.structure-3.2.0.dist-info/LICENSE.rst +141 -0
- diffpy.structure-3.2.0.dist-info/LICENSE_DANSE.rst +50 -0
- diffpy.structure-3.2.0.dist-info/LICENSE_pymmlib.rst +203 -0
- diffpy.structure-3.2.0.dist-info/METADATA +197 -0
- diffpy.structure-3.2.0.dist-info/RECORD +42 -0
- diffpy.structure-3.2.0.dist-info/WHEEL +5 -0
- diffpy.structure-3.2.0.dist-info/top_level.txt +1 -0
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#!/usr/bin/env python
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##############################################################################
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#
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# diffpy.structure by DANSE Diffraction group
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# Simon J. L. Billinge
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# (c) 2006 trustees of the Michigan State University.
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# All rights reserved.
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#
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# File coded by: Pavol Juhas
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#
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# See AUTHORS.txt for a list of people who contributed.
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# See LICENSE_DANSE.txt for license information.
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#
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##############################################################################
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"""Exceptions used in Structure package.
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"""
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class StructureFormatError(Exception):
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"""Exception for failed IO from Structure file."""
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pass
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class LatticeError(Exception):
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"""Exception for impossible lattice parameters."""
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pass
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class SymmetryError(Exception):
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"""Exception raised for invalid symmetry operations."""
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pass
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