masster 0.5.15__tar.gz → 0.5.17__tar.gz

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Files changed (96) hide show
  1. {masster-0.5.15 → masster-0.5.17}/PKG-INFO +1 -3
  2. {masster-0.5.15 → masster-0.5.17}/pyproject.toml +1 -3
  3. {masster-0.5.15 → masster-0.5.17}/src/masster/__init__.py +1 -1
  4. {masster-0.5.15 → masster-0.5.17}/src/masster/_version.py +1 -1
  5. {masster-0.5.15 → masster-0.5.17}/src/masster/study/plot.py +3 -0
  6. {masster-0.5.15 → masster-0.5.17}/src/masster/wizard/__init__.py +2 -2
  7. {masster-0.5.15 → masster-0.5.17}/src/masster/wizard/wizard.py +492 -825
  8. {masster-0.5.15 → masster-0.5.17}/uv.lock +1 -179
  9. {masster-0.5.15 → masster-0.5.17}/.github/workflows/publish.yml +0 -0
  10. {masster-0.5.15 → masster-0.5.17}/.github/workflows/security.yml +0 -0
  11. {masster-0.5.15 → masster-0.5.17}/.github/workflows/test.yml +0 -0
  12. {masster-0.5.15 → masster-0.5.17}/.gitignore +0 -0
  13. {masster-0.5.15 → masster-0.5.17}/.pre-commit-config.yaml +0 -0
  14. {masster-0.5.15 → masster-0.5.17}/LICENSE +0 -0
  15. {masster-0.5.15 → masster-0.5.17}/Makefile +0 -0
  16. {masster-0.5.15 → masster-0.5.17}/README.md +0 -0
  17. {masster-0.5.15 → masster-0.5.17}/TESTING.md +0 -0
  18. {masster-0.5.15 → masster-0.5.17}/demo/example_batch_process.py +0 -0
  19. {masster-0.5.15 → masster-0.5.17}/demo/example_sample_process.py +0 -0
  20. {masster-0.5.15 → masster-0.5.17}/src/masster/chromatogram.py +0 -0
  21. {masster-0.5.15 → masster-0.5.17}/src/masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_DDA_OT_C-MiLUT_QC_dil2_01_20250602151849.sample5 +0 -0
  22. {masster-0.5.15 → masster-0.5.17}/src/masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_DDA_OT_C-MiLUT_QC_dil3_01_20250602150634.sample5 +0 -0
  23. {masster-0.5.15 → masster-0.5.17}/src/masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_MS1_C-MiLUT_C008_v6_r38_01.sample5 +0 -0
  24. {masster-0.5.15 → masster-0.5.17}/src/masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_MS1_C-MiLUT_C008_v7_r37_01.sample5 +0 -0
  25. {masster-0.5.15 → masster-0.5.17}/src/masster/data/dda/20250530_VH_IQX_KW_RP_HSST3_100mm_12min_pos_v4_MS1_C-MiLUT_C017_v5_r99_01.sample5 +0 -0
  26. {masster-0.5.15 → masster-0.5.17}/src/masster/data/libs/aa.csv +0 -0
  27. {masster-0.5.15 → masster-0.5.17}/src/masster/data/libs/ccm.csv +0 -0
  28. {masster-0.5.15 → masster-0.5.17}/src/masster/data/libs/hilic.csv +0 -0
  29. {masster-0.5.15 → masster-0.5.17}/src/masster/data/libs/urine.csv +0 -0
  30. {masster-0.5.15 → masster-0.5.17}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.timeseries.data +0 -0
  31. {masster-0.5.15 → masster-0.5.17}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff +0 -0
  32. {masster-0.5.15 → masster-0.5.17}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff.scan +0 -0
  33. {masster-0.5.15 → masster-0.5.17}/src/masster/data/wiff/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff2 +0 -0
  34. {masster-0.5.15 → masster-0.5.17}/src/masster/lib/__init__.py +0 -0
  35. {masster-0.5.15 → masster-0.5.17}/src/masster/lib/lib.py +0 -0
  36. {masster-0.5.15 → masster-0.5.17}/src/masster/logger.py +0 -0
  37. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/__init__.py +0 -0
  38. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/adducts.py +0 -0
  39. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/defaults/__init__.py +0 -0
  40. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/defaults/find_adducts_def.py +0 -0
  41. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/defaults/find_features_def.py +0 -0
  42. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/defaults/find_ms2_def.py +0 -0
  43. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/defaults/get_spectrum_def.py +0 -0
  44. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/defaults/sample_def.py +0 -0
  45. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/h5.py +0 -0
  46. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/helpers.py +0 -0
  47. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/lib.py +0 -0
  48. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/load.py +0 -0
  49. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/parameters.py +0 -0
  50. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/plot.py +0 -0
  51. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/processing.py +0 -0
  52. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/quant.py +0 -0
  53. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/sample.py +0 -0
  54. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/sample5_schema.json +0 -0
  55. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/save.py +0 -0
  56. {masster-0.5.15 → masster-0.5.17}/src/masster/sample/sciex.py +0 -0
  57. {masster-0.5.15 → masster-0.5.17}/src/masster/spectrum.py +0 -0
  58. {masster-0.5.15 → masster-0.5.17}/src/masster/study/__init__.py +0 -0
  59. {masster-0.5.15 → masster-0.5.17}/src/masster/study/analysis.py +0 -0
  60. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/__init__.py +0 -0
  61. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/align_def.py +0 -0
  62. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/export_def.py +0 -0
  63. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/fill_def.py +0 -0
  64. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/find_consensus_def.py +0 -0
  65. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/find_ms2_def.py +0 -0
  66. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/identify_def.py +0 -0
  67. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/integrate_chrom_def.py +0 -0
  68. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/integrate_def.py +0 -0
  69. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/merge_def.py +0 -0
  70. {masster-0.5.15 → masster-0.5.17}/src/masster/study/defaults/study_def.py +0 -0
  71. {masster-0.5.15 → masster-0.5.17}/src/masster/study/export.py +0 -0
  72. {masster-0.5.15 → masster-0.5.17}/src/masster/study/h5.py +0 -0
  73. {masster-0.5.15 → masster-0.5.17}/src/masster/study/helpers.py +0 -0
  74. {masster-0.5.15 → masster-0.5.17}/src/masster/study/id.py +0 -0
  75. {masster-0.5.15 → masster-0.5.17}/src/masster/study/importers.py +0 -0
  76. {masster-0.5.15 → masster-0.5.17}/src/masster/study/load.py +0 -0
  77. {masster-0.5.15 → masster-0.5.17}/src/masster/study/merge.py +0 -0
  78. {masster-0.5.15 → masster-0.5.17}/src/masster/study/parameters.py +0 -0
  79. {masster-0.5.15 → masster-0.5.17}/src/masster/study/processing.py +0 -0
  80. {masster-0.5.15 → masster-0.5.17}/src/masster/study/save.py +0 -0
  81. {masster-0.5.15 → masster-0.5.17}/src/masster/study/study.py +0 -0
  82. {masster-0.5.15 → masster-0.5.17}/src/masster/study/study5_schema.json +0 -0
  83. {masster-0.5.15 → masster-0.5.17}/src/masster/wizard/README.md +0 -0
  84. {masster-0.5.15 → masster-0.5.17}/src/masster/wizard/example.py +0 -0
  85. {masster-0.5.15 → masster-0.5.17}/tests/conftest.py +0 -0
  86. {masster-0.5.15 → masster-0.5.17}/tests/test_chromatogram.py +0 -0
  87. {masster-0.5.15 → masster-0.5.17}/tests/test_defaults.py +0 -0
  88. {masster-0.5.15 → masster-0.5.17}/tests/test_imports.py +0 -0
  89. {masster-0.5.15 → masster-0.5.17}/tests/test_integration.py +0 -0
  90. {masster-0.5.15 → masster-0.5.17}/tests/test_logger.py +0 -0
  91. {masster-0.5.15 → masster-0.5.17}/tests/test_parameters.py +0 -0
  92. {masster-0.5.15 → masster-0.5.17}/tests/test_sample.py +0 -0
  93. {masster-0.5.15 → masster-0.5.17}/tests/test_spectrum.py +0 -0
  94. {masster-0.5.15 → masster-0.5.17}/tests/test_study.py +0 -0
  95. {masster-0.5.15 → masster-0.5.17}/tests/test_version.py +0 -0
  96. {masster-0.5.15 → masster-0.5.17}/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: 0.5.15
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+ Version: 0.5.17
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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
@@ -681,7 +681,6 @@ Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
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  Classifier: Topic :: Scientific/Engineering :: Chemistry
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  Requires-Python: >=3.11
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  Requires-Dist: alpharaw>=0.4.8
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- Requires-Dist: altair>=5.5.0
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  Requires-Dist: bokeh>=3.7.3
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  Requires-Dist: cmap>=0.6.2
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  Requires-Dist: datashader>=0.18.1
@@ -698,7 +697,6 @@ Requires-Dist: pandas>=2.2.0
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  Requires-Dist: panel>=1.7.0
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  Requires-Dist: polars>=1.0.0
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  Requires-Dist: pyopenms>=3.3.0
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- Requires-Dist: pyteomics>=4.7.0
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  Requires-Dist: pythonnet>=3.0.0
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  Requires-Dist: scikit-learn>=1.7.1
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  Requires-Dist: scipy>=1.12.0
@@ -1,7 +1,7 @@
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  [project]
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  name = "masster"
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- version = "0.5.15"
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+ version = "0.5.17"
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  description = "Mass spectrometry data analysis package"
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  authors = [
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  { name = "Zamboni Lab" }
@@ -27,7 +27,6 @@ urls.repository = "https://github.com/zamboni-lab/masster"
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  urls.documentation = "https://github.com/zamboni-lab/masster#readme"
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  dependencies = [
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  "alpharaw>=0.4.8",
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- "altair>=5.5.0",
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  "bokeh>=3.7.3",
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  "datashader>=0.18.1",
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  "holoviews>=1.21.0",
@@ -40,7 +39,6 @@ dependencies = [
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  "panel>=1.7.0",
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  "polars>=1.0.0",
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  "pyopenms>=3.3.0",
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- "pyteomics>=4.7.0",
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  "pythonnet>=3.0.0",
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  "scipy>=1.12.0",
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  "tqdm>=4.65.0",
@@ -22,7 +22,7 @@ from masster.lib import Lib
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  from masster.sample.sample import Sample
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  from masster.spectrum import Spectrum
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  from masster.study.study import Study
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- from masster.wizard import Wizard, wizard_def
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+ from masster.wizard import Wizard
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  __all__ = [
@@ -1,7 +1,7 @@
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  from __future__ import annotations
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- __version__ = "0.5.15"
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+ __version__ = "0.5.17"
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  def get_version():
@@ -449,6 +449,9 @@ def plot_alignment(
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  rt_current = row_dict["rt"]
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  mz = row_dict["mz"]
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  inty = row_dict["inty"]
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+ # Skip if inty is None
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+ if inty is None:
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+ continue
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  alpha = inty / max_inty
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  size = markersize + 2 if sample_idx == 0 else markersize
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@@ -12,6 +12,6 @@ The analyze() function combines create_analysis() with immediate execution of th
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  generated script for fully automated processing.
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  """
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- from .wizard import Wizard, wizard_def, create_analysis, analyze
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+ from .wizard import Wizard, wizard_def, create_scripts
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- __all__ = ["Wizard", "wizard_def", "create_analysis", "analyze"]
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+ __all__ = ["Wizard", "wizard_def", "create_scripts"]