pycompound 0.1.6__tar.gz → 0.1.7__tar.gz

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Files changed (29) hide show
  1. {pycompound-0.1.6/src/pycompound.egg-info → pycompound-0.1.7}/PKG-INFO +1 -1
  2. {pycompound-0.1.6 → pycompound-0.1.7}/pyproject.toml +1 -1
  3. pycompound-0.1.7/src/app.py +3871 -0
  4. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound/build_library.py +77 -20
  5. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound/plot_spectra.py +1 -1
  6. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound/processing.py +5 -5
  7. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound/spec_lib_matching.py +245 -471
  8. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound/spec_lib_matching_CLI.py +48 -2
  9. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound/tuning_CLI_DE.py +22 -22
  10. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound/tuning_CLI_grid.py +22 -6
  11. {pycompound-0.1.6 → pycompound-0.1.7/src/pycompound.egg-info}/PKG-INFO +1 -1
  12. pycompound-0.1.7/tests/test_build_library.py +50 -0
  13. pycompound-0.1.7/tests/test_spec_lib_matching.py +320 -0
  14. pycompound-0.1.7/tests/test_tuning.py +74 -0
  15. pycompound-0.1.6/src/app.py +0 -1519
  16. pycompound-0.1.6/tests/test_build_library.py +0 -28
  17. pycompound-0.1.6/tests/test_spec_lib_matching.py +0 -169
  18. pycompound-0.1.6/tests/test_tuning.py +0 -59
  19. {pycompound-0.1.6 → pycompound-0.1.7}/LICENSE +0 -0
  20. {pycompound-0.1.6 → pycompound-0.1.7}/README.md +0 -0
  21. {pycompound-0.1.6 → pycompound-0.1.7}/setup.cfg +0 -0
  22. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound/plot_spectra_CLI.py +0 -0
  23. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound/similarity_measures.py +0 -0
  24. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound.egg-info/SOURCES.txt +0 -0
  25. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound.egg-info/dependency_links.txt +0 -0
  26. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound.egg-info/requires.txt +0 -0
  27. {pycompound-0.1.6 → pycompound-0.1.7}/src/pycompound.egg-info/top_level.txt +0 -0
  28. {pycompound-0.1.6 → pycompound-0.1.7}/tests/test_plot_spectra.py +0 -0
  29. {pycompound-0.1.6 → pycompound-0.1.7}/tests/test_similarity_measures.py +0 -0
{pycompound-0.1.6/src/pycompound.egg-info → pycompound-0.1.7}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: pycompound
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- Version: 0.1.6
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+ Version: 0.1.7
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  Summary: Python package to perform compound identification in mass spectrometry via spectral library matching.
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  Author-email: Hunter Dlugas <fy7392@wayne.edu>
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  License-Expression: MIT
{pycompound-0.1.6 → pycompound-0.1.7}/pyproject.toml RENAMED
@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
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  [project]
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  name = "pycompound"
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- version = "0.1.6"
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+ version = "0.1.7"
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  authors = [
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  { name="Hunter Dlugas", email="fy7392@wayne.edu" },
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  ]