masster 0.3.3__tar.gz → 0.3.5__tar.gz

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  1. {masster-0.3.3 → masster-0.3.5}/PKG-INFO +1 -3
  2. {masster-0.3.3 → masster-0.3.5}/pyproject.toml +15 -16
  3. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/sample.py +2 -2
  4. {masster-0.3.3 → masster-0.3.5}/uv.lock +1 -518
  5. {masster-0.3.3 → masster-0.3.5}/.github/workflows/publish.yml +0 -0
  6. {masster-0.3.3 → masster-0.3.5}/.github/workflows/security.yml +0 -0
  7. {masster-0.3.3 → masster-0.3.5}/.github/workflows/test.yml +0 -0
  8. {masster-0.3.3 → masster-0.3.5}/.gitignore +0 -0
  9. {masster-0.3.3 → masster-0.3.5}/.pre-commit-config.yaml +0 -0
  10. {masster-0.3.3 → masster-0.3.5}/LICENSE +0 -0
  11. {masster-0.3.3 → masster-0.3.5}/Makefile +0 -0
  12. {masster-0.3.3 → masster-0.3.5}/README.md +0 -0
  13. {masster-0.3.3 → masster-0.3.5}/TESTING.md +0 -0
  14. {masster-0.3.3 → masster-0.3.5}/demo/example_batch_process.py +0 -0
  15. {masster-0.3.3 → masster-0.3.5}/demo/example_sample_process.py +0 -0
  16. {masster-0.3.3 → masster-0.3.5}/src/masster/__init__.py +0 -0
  17. {masster-0.3.3 → masster-0.3.5}/src/masster/_version.py +0 -0
  18. {masster-0.3.3 → masster-0.3.5}/src/masster/chromatogram.py +0 -0
  19. {masster-0.3.3 → masster-0.3.5}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.featureXML +0 -0
  20. {masster-0.3.3 → masster-0.3.5}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.mzML +0 -0
  21. {masster-0.3.3 → masster-0.3.5}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.sample5 +0 -0
  22. {masster-0.3.3 → masster-0.3.5}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.timeseries.data +0 -0
  23. {masster-0.3.3 → masster-0.3.5}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff +0 -0
  24. {masster-0.3.3 → masster-0.3.5}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff.scan +0 -0
  25. {masster-0.3.3 → masster-0.3.5}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff2 +0 -0
  26. {masster-0.3.3 → masster-0.3.5}/src/masster/logger.py +0 -0
  27. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/__init__.py +0 -0
  28. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/defaults/__init__.py +0 -0
  29. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/defaults/find_adducts_def.py +0 -0
  30. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/defaults/find_features_def.py +0 -0
  31. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/defaults/find_ms2_def.py +0 -0
  32. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/defaults/get_spectrum_def.py +0 -0
  33. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/defaults/sample_def.py +0 -0
  34. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/h5.py +0 -0
  35. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/helpers.py +0 -0
  36. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/lib.py +0 -0
  37. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/load.py +0 -0
  38. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/parameters.py +0 -0
  39. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/plot.py +0 -0
  40. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/processing.py +0 -0
  41. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/quant.py +0 -0
  42. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/sample5_schema.json +0 -0
  43. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/save.py +0 -0
  44. {masster-0.3.3 → masster-0.3.5}/src/masster/sample/sciex.py +0 -0
  45. {masster-0.3.3 → masster-0.3.5}/src/masster/spectrum.py +0 -0
  46. {masster-0.3.3 → masster-0.3.5}/src/masster/study/__init__.py +0 -0
  47. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/__init__.py +0 -0
  48. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/align_def.py +0 -0
  49. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/export_def.py +0 -0
  50. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/fill_chrom_def.py +0 -0
  51. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/fill_def.py +0 -0
  52. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/find_consensus_def.py +0 -0
  53. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/find_ms2_def.py +0 -0
  54. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/integrate_chrom_def.py +0 -0
  55. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/integrate_def.py +0 -0
  56. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/merge_def.py +0 -0
  57. {masster-0.3.3 → masster-0.3.5}/src/masster/study/defaults/study_def.py +0 -0
  58. {masster-0.3.3 → masster-0.3.5}/src/masster/study/export.py +0 -0
  59. {masster-0.3.3 → masster-0.3.5}/src/masster/study/h5.py +0 -0
  60. {masster-0.3.3 → masster-0.3.5}/src/masster/study/helpers.py +0 -0
  61. {masster-0.3.3 → masster-0.3.5}/src/masster/study/helpers_optimized.py +0 -0
  62. {masster-0.3.3 → masster-0.3.5}/src/masster/study/load.py +0 -0
  63. {masster-0.3.3 → masster-0.3.5}/src/masster/study/parameters.py +0 -0
  64. {masster-0.3.3 → masster-0.3.5}/src/masster/study/plot.py +0 -0
  65. {masster-0.3.3 → masster-0.3.5}/src/masster/study/processing.py +0 -0
  66. {masster-0.3.3 → masster-0.3.5}/src/masster/study/save.py +0 -0
  67. {masster-0.3.3 → masster-0.3.5}/src/masster/study/study.py +0 -0
  68. {masster-0.3.3 → masster-0.3.5}/src/masster/study/study5_schema.json +0 -0
  69. {masster-0.3.3 → masster-0.3.5}/tests/conftest.py +0 -0
  70. {masster-0.3.3 → masster-0.3.5}/tests/test_chromatogram.py +0 -0
  71. {masster-0.3.3 → masster-0.3.5}/tests/test_defaults.py +0 -0
  72. {masster-0.3.3 → masster-0.3.5}/tests/test_imports.py +0 -0
  73. {masster-0.3.3 → masster-0.3.5}/tests/test_integration.py +0 -0
  74. {masster-0.3.3 → masster-0.3.5}/tests/test_logger.py +0 -0
  75. {masster-0.3.3 → masster-0.3.5}/tests/test_parameters.py +0 -0
  76. {masster-0.3.3 → masster-0.3.5}/tests/test_sample.py +0 -0
  77. {masster-0.3.3 → masster-0.3.5}/tests/test_spectrum.py +0 -0
  78. {masster-0.3.3 → masster-0.3.5}/tests/test_study.py +0 -0
  79. {masster-0.3.3 → masster-0.3.5}/tests/test_version.py +0 -0
  80. {masster-0.3.3 → masster-0.3.5}/tox.ini +0 -0
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: masster
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- Version: 0.3.3
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+ Version: 0.3.5
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  Summary: Mass spectrometry data analysis package
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  Project-URL: homepage, https://github.com/zamboni-lab/masster
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  Project-URL: repository, https://github.com/zamboni-lab/masster
@@ -688,9 +688,7 @@ Requires-Dist: datashader>=0.18.1
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  Requires-Dist: h5py>=3.14.0
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  Requires-Dist: holoviews>=1.21.0
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  Requires-Dist: hvplot>=0.11.3
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- Requires-Dist: ipykernel>=6.30.0
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  Requires-Dist: loguru>=0.7.3
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- Requires-Dist: marimo>=0.14.16
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  Requires-Dist: matchms>=0.30.2
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  Requires-Dist: matplotlib>=3.8.0
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  Requires-Dist: numpy>=2.0.0
@@ -1,7 +1,7 @@
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  [project]
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  name = "masster"
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- version = "0.3.3"
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+ version = "0.3.5"
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  description = "Mass spectrometry data analysis package"
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  authors = [
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  { name = "Zamboni Lab" }
@@ -37,7 +37,7 @@ dependencies = [
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  "hvplot>=0.11.3",
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  "loguru>=0.7.3",
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  "numpy>=2.0.0",
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- "marimo>=0.14.16",
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+ # "marimo>=0.14.16",
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  "matchms>=0.30.2",
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  "matplotlib>=3.8.0",
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  "pandas>=2.2.0",
@@ -50,8 +50,7 @@ dependencies = [
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  "scipy>=1.12.0",
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  "simple-parsing>=0.1.7",
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  "tqdm>=4.65.0",
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- "ipykernel>=6.30.0",
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- "openpyxl>=3.1.5",
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+ "openpyxl>=3.1.5"
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  ]
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  [project.optional-dependencies]
@@ -136,18 +135,18 @@ exclude_lines = [
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  line-length = 88
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  target-version = ['py311']
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  include = '\.pyi?$'
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- extend-exclude = '''
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- /(
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- # directories
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- \.eggs
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- | \.git
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- | \.hg
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- | \.mypy_cache
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- | \.tox
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- | \.venv
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- | build
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- | dist
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- )/
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+ extend-exclude = '''
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+ /(
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+ # directories
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+ \.eggs
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+ | \.git
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+ | \.mypy_cache
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+ | \.tox
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+ | \.venv
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+ | build
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+ | dist
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+ )/
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  '''
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  # MyPy configuration
@@ -202,9 +202,9 @@ class Sample:
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  find_adducts = find_adducts
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  find_ms2 = find_ms2
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  get_spectrum = get_spectrum
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- filter = filter
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+ filter = features_filter
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  select = select
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- features_filter = features_filter # New function that keeps only specified features
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+ features_filter = filter # New function that keeps only specified features
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  filter_features = filter
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  features_select = select
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  select_features = select
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1421
-
1422
1179
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1423
1180
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1424
1181
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1235
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1479
1236
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1480
1237
 
1481
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1482
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1483
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1484
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1485
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1486
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1487
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1488
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1489
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1490
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1491
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1492
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1493
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1494
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1495
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1496
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1497
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1498
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1499
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1500
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1501
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1507
-
1508
1238
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1509
1239
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1510
1240
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1315
 
1586
1316
  [[package]]
1587
1317
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1588
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1318
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1589
1319
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1590
1320
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1591
1321
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1596
1326
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1597
1327
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1598
1328
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1599
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1600
1329
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1601
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1602
1330
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1603
1331
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1604
1332
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1657
1385
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1658
1386
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1659
1387
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1660
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1661
1388
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1662
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1663
1389
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1664
1390
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1665
1391
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1510
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1785
1511
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1786
1512
 
1787
- [[package]]
1788
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1789
- version = "0.1.7"
1790
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1791
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1797
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1798
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1799
1513
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1800
1514
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1801
1515
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1614
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1901
1615
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1902
1616
 
1903
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1904
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1905
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1906
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1911
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1912
1617
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1913
1618
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1619
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1850
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2146
1851
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2147
1852
 
2148
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2149
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2150
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2151
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2157
1853
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1854
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2159
1855
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1871
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1872
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2177
1873
 
2178
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2179
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2180
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2181
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2182
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2190
1874
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2191
1875
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2192
1876
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2037
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2038
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2355
2039
 
2356
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2357
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2358
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2359
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2366
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2367
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2368
2040
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2369
2041
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2370
2042
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2052
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2381
2053
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2054
 
2383
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2385
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2386
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2392
2055
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2056
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2394
2057
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2395
2058
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2396
2059
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2397
2060
 
2398
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2399
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2400
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2401
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2407
2061
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2408
2062
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2409
2063
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2226
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2573
2227
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2574
2228
 
2575
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2576
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2577
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2578
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2868
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2869
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2871
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2872
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2873
2456
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2874
2457
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2875
2458
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3190
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3191
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3609
3192
 
3610
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3611
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3612
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3614
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3624
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3626
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3627
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3628
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3630
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3635
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3636
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3637
3193
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3638
3194
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3639
3195
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3308
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3753
3309
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3754
3310
 
3755
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3756
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3757
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3758
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3759
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3760
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3763
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3764
3311
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3765
3312
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3766
3313
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3379
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3833
3380
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3834
3381
 
3835
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3836
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3837
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3838
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3839
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3841
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3842
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3847
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3848
3382
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3849
3383
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3850
3384
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3393
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3860
3394
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3861
3395
 
3862
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3863
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3864
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3865
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3866
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3870
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3871
3396
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3872
3397
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3873
3398
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3402
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3403
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3879
3404
 
3880
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3882
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