diffpy.utils 3.5.0__tar.gz → 3.6.0__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.
Files changed (65) hide show
  1. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/PKG-INFO +6 -4
  2. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/README.rst +2 -2
  3. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/pyproject.toml +6 -1
  4. diffpy_utils-3.6.0/requirements/conda.txt +3 -0
  5. diffpy_utils-3.6.0/requirements/pip.txt +3 -0
  6. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/requirements/test.txt +1 -0
  7. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy/__init__.py +0 -1
  8. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy/utils/__init__.py +1 -4
  9. diffpy_utils-3.6.0/src/diffpy/utils/diffraction_objects.py +590 -0
  10. {diffpy_utils-3.5.0/src/diffpy/utils/scattering_objects → diffpy_utils-3.6.0/src/diffpy/utils/parsers}/__init__.py +2 -6
  11. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy/utils/parsers/loaddata.py +10 -18
  12. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy/utils/parsers/serialization.py +3 -3
  13. diffpy_utils-3.6.0/src/diffpy/utils/resampler.py +181 -0
  14. diffpy_utils-3.6.0/src/diffpy/utils/tools.py +347 -0
  15. diffpy_utils-3.6.0/src/diffpy/utils/transforms.py +213 -0
  16. diffpy_utils-3.6.0/src/diffpy/utils/validators.py +47 -0
  17. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy/utils/version.py +0 -3
  18. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy/utils/wx/__init__.py +1 -5
  19. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy/utils/wx/gridutils.py +13 -15
  20. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy.utils.egg-info/PKG-INFO +6 -4
  21. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy.utils.egg-info/SOURCES.txt +6 -4
  22. diffpy_utils-3.6.0/src/diffpy.utils.egg-info/requires.txt +3 -0
  23. diffpy_utils-3.6.0/tests/conftest.py +89 -0
  24. diffpy_utils-3.6.0/tests/test_diffraction_objects.py +890 -0
  25. diffpy_utils-3.6.0/tests/test_loaddata.py +80 -0
  26. diffpy_utils-3.6.0/tests/test_resample.py +52 -0
  27. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/test_serialization.py +8 -9
  28. diffpy_utils-3.6.0/tests/test_tools.py +215 -0
  29. diffpy_utils-3.6.0/tests/test_transforms.py +261 -0
  30. diffpy_utils-3.6.0/tests/test_validators.py +27 -0
  31. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/test_version.py +3 -3
  32. diffpy_utils-3.5.0/requirements/conda.txt +0 -1
  33. diffpy_utils-3.5.0/requirements/pip.txt +0 -1
  34. diffpy_utils-3.5.0/src/diffpy/utils/parsers/__init__.py +0 -27
  35. diffpy_utils-3.5.0/src/diffpy/utils/parsers/resample.py +0 -135
  36. diffpy_utils-3.5.0/src/diffpy/utils/scattering_objects/diffraction_objects.py +0 -461
  37. diffpy_utils-3.5.0/src/diffpy/utils/scattering_objects/user_config.py +0 -30
  38. diffpy_utils-3.5.0/src/diffpy/utils/tools.py +0 -154
  39. diffpy_utils-3.5.0/src/diffpy.utils.egg-info/requires.txt +0 -1
  40. diffpy_utils-3.5.0/tests/conftest.py +0 -29
  41. diffpy_utils-3.5.0/tests/test_diffraction_objects.py +0 -265
  42. diffpy_utils-3.5.0/tests/test_loaddata.py +0 -73
  43. diffpy_utils-3.5.0/tests/test_resample.py +0 -30
  44. diffpy_utils-3.5.0/tests/test_tools.py +0 -143
  45. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/AUTHORS.rst +0 -0
  46. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/LICENSE.rst +0 -0
  47. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/LICENSE_DANSE.txt +0 -0
  48. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/MANIFEST.in +0 -0
  49. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/requirements/build.txt +0 -0
  50. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/requirements/docs.txt +0 -0
  51. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/setup.cfg +0 -0
  52. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy/utils/parsers/custom_exceptions.py +0 -0
  53. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy.utils.egg-info/dependency_links.txt +0 -0
  54. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/src/diffpy.utils.egg-info/top_level.txt +0 -0
  55. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/dbload/e1.gr +0 -0
  56. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/dbload/e2.gr +0 -0
  57. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/dbload/e3.gr +0 -0
  58. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/generated_db.json +0 -0
  59. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/generatewarnings.txt +0 -0
  60. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/loaddata01.txt +0 -0
  61. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/loaddatawithheaders.txt +0 -0
  62. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/loadfile.txt +0 -0
  63. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/strumining.json +0 -0
  64. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/targetjson.json +0 -0
  65. {diffpy_utils-3.5.0 → diffpy_utils-3.6.0}/tests/testdata/wrong.type +0 -0
@@ -1,12 +1,12 @@
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  Metadata-Version: 2.1
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  Name: diffpy.utils
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- Version: 3.5.0
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+ Version: 3.6.0
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  Summary: Shared utilities for diffpy packages
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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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  Project-URL: Homepage, https://github.com/diffpy/diffpy.utils/
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  Project-URL: Issues, https://github.com/diffpy/diffpy.utils/issues/
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- Keywords: "text data parsers" "wx grid" "diffraction objects"
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+ Keywords: text data parsers,wx grid,diffraction objects
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  Classifier: Development Status :: 5 - Production/Stable
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  Classifier: Environment :: Console
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  Classifier: Intended Audience :: Developers
@@ -27,6 +27,8 @@ License-File: LICENSE.rst
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  License-File: LICENSE_DANSE.txt
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  License-File: AUTHORS.rst
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  Requires-Dist: numpy
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+ Requires-Dist: xraydb
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+ Requires-Dist: scipy
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  |Icon| |title|_
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  ===============
@@ -73,7 +75,7 @@ General purpose shared utilities for the diffpy libraries.
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  The diffpy.utils package provides functions for extracting array data from
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  variously formatted text files, an interpolation function based on the
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  Whittaker-Shannon formula that can be used to resample a PDF or other profile
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- function over a new grid, `Diffraction_objects` for conveniently manipulating
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+ function over a new grid, `DiffractionObject` for conveniently manipulating
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  diffraction data, and some wx GUI utilities used by the PDFgui
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  program.
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@@ -164,7 +166,7 @@ trying to commit again.
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  Improvements and fixes are always appreciated.
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- Before contribuing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.utils/blob/main/CODE_OF_CONDUCT.rst>`_.
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+ Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.utils/blob/main/CODE_OF_CONDUCT.rst>`_.
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  Contact
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  -------
@@ -43,7 +43,7 @@ General purpose shared utilities for the diffpy libraries.
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  The diffpy.utils package provides functions for extracting array data from
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  variously formatted text files, an interpolation function based on the
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  Whittaker-Shannon formula that can be used to resample a PDF or other profile
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- function over a new grid, `Diffraction_objects` for conveniently manipulating
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+ function over a new grid, `DiffractionObject` for conveniently manipulating
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  diffraction data, and some wx GUI utilities used by the PDFgui
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  program.
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@@ -134,7 +134,7 @@ trying to commit again.
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  Improvements and fixes are always appreciated.
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- Before contribuing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.utils/blob/main/CODE_OF_CONDUCT.rst>`_.
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+ Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.utils/blob/main/CODE_OF_CONDUCT.rst>`_.
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  Contact
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  -------
@@ -12,7 +12,7 @@ maintainers = [
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  { name="Simon J.L. Billinge group", email="simon.billinge@gmail.com" },
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  ]
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  description = "Shared utilities for diffpy packages"
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- keywords = ['"text data parsers" "wx grid" "diffraction objects"']
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+ keywords = ["text data parsers", "wx grid", "diffraction objects"]
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  readme = "README.rst"
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  requires-python = ">=3.11, <3.14"
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  classifiers = [
@@ -51,6 +51,11 @@ namespaces = false # to disable scanning PEP 420 namespaces (true by default)
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  [tool.setuptools.dynamic]
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  dependencies = {file = ["requirements/pip.txt"]}
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+ [tool.codespell]
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+ exclude-file = ".codespell/ignore_lines.txt"
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+ ignore-words = ".codespell/ignore_words.txt"
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+ skip = "*.cif,*.dat"
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+
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  [tool.black]
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  line-length = 115
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  include = '\.pyi?$'
@@ -0,0 +1,3 @@
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+ numpy
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+ xraydb
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+ scipy
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+ numpy
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+ xraydb
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+ scipy
@@ -6,3 +6,4 @@ pytest-env
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  pytest-mock
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  pytest-cov
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  freezegun
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+ DeepDiff
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  # See LICENSE.rst for license information.
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  #
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  ##############################################################################
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-
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  """diffpy - tools for structure analysis by diffraction.
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  Blank namespace package.
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  # See LICENSE.rst for license information.
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  #
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  ##############################################################################
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-
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- """Shared utilities for diffpy packages"""
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+ """Shared utilities for diffpy packages."""
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  # package version
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  from diffpy.utils.version import __version__
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  # silence the pyflakes syntax checker
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  assert __version__ or True
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-
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- # End of file