masster 0.3.5__tar.gz → 0.3.7__tar.gz

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Files changed (80) hide show
  1. {masster-0.3.5 → masster-0.3.7}/PKG-INFO +1 -1
  2. {masster-0.3.5 → masster-0.3.7}/pyproject.toml +1 -1
  3. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/sample.py +13 -2
  4. {masster-0.3.5 → masster-0.3.7}/src/masster/study/study.py +20 -0
  5. {masster-0.3.5 → masster-0.3.7}/uv.lock +1 -1
  6. {masster-0.3.5 → masster-0.3.7}/.github/workflows/publish.yml +0 -0
  7. {masster-0.3.5 → masster-0.3.7}/.github/workflows/security.yml +0 -0
  8. {masster-0.3.5 → masster-0.3.7}/.github/workflows/test.yml +0 -0
  9. {masster-0.3.5 → masster-0.3.7}/.gitignore +0 -0
  10. {masster-0.3.5 → masster-0.3.7}/.pre-commit-config.yaml +0 -0
  11. {masster-0.3.5 → masster-0.3.7}/LICENSE +0 -0
  12. {masster-0.3.5 → masster-0.3.7}/Makefile +0 -0
  13. {masster-0.3.5 → masster-0.3.7}/README.md +0 -0
  14. {masster-0.3.5 → masster-0.3.7}/TESTING.md +0 -0
  15. {masster-0.3.5 → masster-0.3.7}/demo/example_batch_process.py +0 -0
  16. {masster-0.3.5 → masster-0.3.7}/demo/example_sample_process.py +0 -0
  17. {masster-0.3.5 → masster-0.3.7}/src/masster/__init__.py +0 -0
  18. {masster-0.3.5 → masster-0.3.7}/src/masster/_version.py +0 -0
  19. {masster-0.3.5 → masster-0.3.7}/src/masster/chromatogram.py +0 -0
  20. {masster-0.3.5 → masster-0.3.7}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.featureXML +0 -0
  21. {masster-0.3.5 → masster-0.3.7}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.mzML +0 -0
  22. {masster-0.3.5 → masster-0.3.7}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.sample5 +0 -0
  23. {masster-0.3.5 → masster-0.3.7}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.timeseries.data +0 -0
  24. {masster-0.3.5 → masster-0.3.7}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff +0 -0
  25. {masster-0.3.5 → masster-0.3.7}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff.scan +0 -0
  26. {masster-0.3.5 → masster-0.3.7}/src/masster/data/examples/2025_01_14_VW_7600_LpMx_DBS_CID_2min_TOP15_030msecMS1_005msecReac_CE35_DBS-ON_3.wiff2 +0 -0
  27. {masster-0.3.5 → masster-0.3.7}/src/masster/logger.py +0 -0
  28. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/__init__.py +0 -0
  29. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/__init__.py +0 -0
  30. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/find_adducts_def.py +0 -0
  31. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/find_features_def.py +0 -0
  32. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/find_ms2_def.py +0 -0
  33. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/get_spectrum_def.py +0 -0
  34. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/sample_def.py +0 -0
  35. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/h5.py +0 -0
  36. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/helpers.py +0 -0
  37. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/lib.py +0 -0
  38. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/load.py +0 -0
  39. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/parameters.py +0 -0
  40. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/plot.py +0 -0
  41. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/processing.py +0 -0
  42. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/quant.py +0 -0
  43. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/sample5_schema.json +0 -0
  44. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/save.py +0 -0
  45. {masster-0.3.5 → masster-0.3.7}/src/masster/sample/sciex.py +0 -0
  46. {masster-0.3.5 → masster-0.3.7}/src/masster/spectrum.py +0 -0
  47. {masster-0.3.5 → masster-0.3.7}/src/masster/study/__init__.py +0 -0
  48. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/__init__.py +0 -0
  49. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/align_def.py +0 -0
  50. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/export_def.py +0 -0
  51. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/fill_chrom_def.py +0 -0
  52. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/fill_def.py +0 -0
  53. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/find_consensus_def.py +0 -0
  54. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/find_ms2_def.py +0 -0
  55. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/integrate_chrom_def.py +0 -0
  56. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/integrate_def.py +0 -0
  57. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/merge_def.py +0 -0
  58. {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/study_def.py +0 -0
  59. {masster-0.3.5 → masster-0.3.7}/src/masster/study/export.py +0 -0
  60. {masster-0.3.5 → masster-0.3.7}/src/masster/study/h5.py +0 -0
  61. {masster-0.3.5 → masster-0.3.7}/src/masster/study/helpers.py +0 -0
  62. {masster-0.3.5 → masster-0.3.7}/src/masster/study/helpers_optimized.py +0 -0
  63. {masster-0.3.5 → masster-0.3.7}/src/masster/study/load.py +0 -0
  64. {masster-0.3.5 → masster-0.3.7}/src/masster/study/parameters.py +0 -0
  65. {masster-0.3.5 → masster-0.3.7}/src/masster/study/plot.py +0 -0
  66. {masster-0.3.5 → masster-0.3.7}/src/masster/study/processing.py +0 -0
  67. {masster-0.3.5 → masster-0.3.7}/src/masster/study/save.py +0 -0
  68. {masster-0.3.5 → masster-0.3.7}/src/masster/study/study5_schema.json +0 -0
  69. {masster-0.3.5 → masster-0.3.7}/tests/conftest.py +0 -0
  70. {masster-0.3.5 → masster-0.3.7}/tests/test_chromatogram.py +0 -0
  71. {masster-0.3.5 → masster-0.3.7}/tests/test_defaults.py +0 -0
  72. {masster-0.3.5 → masster-0.3.7}/tests/test_imports.py +0 -0
  73. {masster-0.3.5 → masster-0.3.7}/tests/test_integration.py +0 -0
  74. {masster-0.3.5 → masster-0.3.7}/tests/test_logger.py +0 -0
  75. {masster-0.3.5 → masster-0.3.7}/tests/test_parameters.py +0 -0
  76. {masster-0.3.5 → masster-0.3.7}/tests/test_sample.py +0 -0
  77. {masster-0.3.5 → masster-0.3.7}/tests/test_spectrum.py +0 -0
  78. {masster-0.3.5 → masster-0.3.7}/tests/test_study.py +0 -0
  79. {masster-0.3.5 → masster-0.3.7}/tests/test_version.py +0 -0
  80. {masster-0.3.5 → masster-0.3.7}/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: 0.3.5
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+ Version: 0.3.7
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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
@@ -1,7 +1,7 @@
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  [project]
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  name = "masster"
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- version = "0.3.5"
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+ version = "0.3.7"
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  description = "Mass spectrometry data analysis package"
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  authors = [
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  { name = "Zamboni Lab" }
@@ -39,8 +39,13 @@ import sys
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  import polars as pl
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41
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  from masster._version import get_version
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+ from masster.logger import MassterLogger
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43
 
43
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  from masster.sample.defaults.sample_def import sample_defaults
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+ from masster.sample.defaults.find_features_def import find_features_defaults
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+ from masster.sample.defaults.find_adducts_def import find_adducts_defaults
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+ from masster.sample.defaults.find_ms2_def import find_ms2_defaults
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+ from masster.sample.defaults.get_spectrum_def import get_spectrum_defaults
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49
 
45
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  # Sample-specific imports
46
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  from masster.sample.h5 import _load_sample5
@@ -67,7 +72,6 @@ from masster.sample.load import chrom_extract
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  from masster.sample.load import index_file
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  from masster.sample.load import load
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  from masster.sample.load import sanitize
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- from masster.logger import MassterLogger
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  from masster.sample.plot import plot_2d
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  from masster.sample.plot import plot_2d_oracle
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  from masster.sample.plot import plot_dda_stats
@@ -157,7 +161,6 @@ class Sample:
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  self.log_sink = params.log_sink
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  # Initialize independent logger
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- from masster.logger import MassterLogger
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  self.logger = MassterLogger(
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  instance_type="sample",
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  level=params.log_level.upper(),
@@ -256,6 +259,14 @@ class Sample:
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  _spec_to_mat = _spec_to_mat
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  _save_featureXML = _save_featureXML
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261
 
262
+ # defaults
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+ sample_defaults = sample_defaults
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+ find_features_defaults = find_features_defaults
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+ merge_defaults = find_features_defaults
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+ find_adducts_defaults = find_adducts_defaults
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+ find_ms2_defaults = find_ms2_defaults
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+ get_spectrum_defaults = get_spectrum_defaults
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+
259
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  def logger_update(self, level: str | None = None, label: str | None = None, sink: str | None = None):
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  """Update the logging configuration for this Sample instance.
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272
 
@@ -116,6 +116,15 @@ from masster.study.export import _get_mgf_df
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  from masster.logger import MassterLogger
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  from masster.study.defaults.study_def import study_defaults
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+ from masster.study.defaults.align_def import align_defaults
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+ from masster.study.defaults.export_def import export_mgf_defaults
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+ from masster.study.defaults.fill_chrom_def import fill_chrom_defaults
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+ from masster.study.defaults.fill_def import fill_defaults
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+ from masster.study.defaults.find_consensus_def import find_consensus_defaults
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+ from masster.study.defaults.find_ms2_def import find_ms2_defaults
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+ from masster.study.defaults.integrate_chrom_def import integrate_chrom_defaults
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+ from masster.study.defaults.integrate_def import integrate_defaults
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+ from masster.study.defaults.merge_def import merge_defaults
119
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120
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121
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  class Study:
@@ -357,6 +366,17 @@ class Study:
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  export_mztab = export_mztab
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  _get_mgf_df = _get_mgf_df # New function for MGF data extraction
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368
 
369
+ # defaults
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+ study_defaults = study_defaults
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+ align_defaults = align_defaults
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+ export_mgf_defaults = export_mgf_defaults
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+ fill_chrom_defaults = fill_chrom_defaults
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+ fill_defaults = fill_defaults
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+ find_consensus_defaults = find_consensus_defaults
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+ find_ms2_defaults = find_ms2_defaults
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+ integrate_chrom_defaults = integrate_chrom_defaults
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+ integrate_defaults = integrate_defaults
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+ merge_defaults = merge_defaults
360
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361
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  def _reload(self):
362
382
  """
@@ -1315,7 +1315,7 @@ wheels = [
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  [[package]]
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  name = "masster"
1318
- version = "0.3.5"
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+ version = "0.3.7"
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  source = { editable = "." }
1320
1320
  dependencies = [
1321
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  { name = "alphabase" },
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