diffpy.structure 3.2.0__py3-none-any.whl

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Files changed (42) hide show
  1. diffpy/Structure.py +35 -0
  2. diffpy/__init__.py +23 -0
  3. diffpy/structure/__init__.py +93 -0
  4. diffpy/structure/_legacy_importer.py +88 -0
  5. diffpy/structure/apps/__init__.py +17 -0
  6. diffpy/structure/apps/anyeye.py +284 -0
  7. diffpy/structure/apps/transtru.py +126 -0
  8. diffpy/structure/atom.py +544 -0
  9. diffpy/structure/expansion/__init__.py +27 -0
  10. diffpy/structure/expansion/makeellipsoid.py +129 -0
  11. diffpy/structure/expansion/shapeutils.py +44 -0
  12. diffpy/structure/expansion/supercell_mod.py +91 -0
  13. diffpy/structure/lattice.py +663 -0
  14. diffpy/structure/mmlibspacegroups.py +8154 -0
  15. diffpy/structure/parsers/__init__.py +83 -0
  16. diffpy/structure/parsers/p_auto.py +217 -0
  17. diffpy/structure/parsers/p_cif.py +876 -0
  18. diffpy/structure/parsers/p_discus.py +312 -0
  19. diffpy/structure/parsers/p_pdb.py +405 -0
  20. diffpy/structure/parsers/p_pdffit.py +290 -0
  21. diffpy/structure/parsers/p_rawxyz.py +149 -0
  22. diffpy/structure/parsers/p_xcfg.py +457 -0
  23. diffpy/structure/parsers/p_xyz.py +161 -0
  24. diffpy/structure/parsers/parser_index_mod.py +108 -0
  25. diffpy/structure/parsers/structureparser.py +80 -0
  26. diffpy/structure/pdffitstructure.py +109 -0
  27. diffpy/structure/sgtbxspacegroups.py +5198 -0
  28. diffpy/structure/spacegroupmod.py +329 -0
  29. diffpy/structure/spacegroups.py +1441 -0
  30. diffpy/structure/structure.py +866 -0
  31. diffpy/structure/structureerrors.py +35 -0
  32. diffpy/structure/symmetryutilities.py +1100 -0
  33. diffpy/structure/utils.py +126 -0
  34. diffpy/structure/version.py +26 -0
  35. diffpy.structure-3.2.0.dist-info/AUTHORS.rst +13 -0
  36. diffpy.structure-3.2.0.dist-info/LICENSE.rst +141 -0
  37. diffpy.structure-3.2.0.dist-info/LICENSE_DANSE.rst +50 -0
  38. diffpy.structure-3.2.0.dist-info/LICENSE_pymmlib.rst +203 -0
  39. diffpy.structure-3.2.0.dist-info/METADATA +197 -0
  40. diffpy.structure-3.2.0.dist-info/RECORD +42 -0
  41. diffpy.structure-3.2.0.dist-info/WHEEL +5 -0
  42. diffpy.structure-3.2.0.dist-info/top_level.txt +1 -0
@@ -0,0 +1,35 @@
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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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+
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+ """Exceptions used in Structure package.
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+ """
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+
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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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+
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+ pass
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+
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+
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+ class LatticeError(Exception):
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+ """Exception for impossible lattice parameters."""
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+
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+ pass
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+
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+
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+ class SymmetryError(Exception):
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+ """Exception raised for invalid symmetry operations."""
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+
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+ pass