masster 0.3.5__tar.gz → 0.3.7__tar.gz
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- {masster-0.3.5 → masster-0.3.7}/PKG-INFO +1 -1
- {masster-0.3.5 → masster-0.3.7}/pyproject.toml +1 -1
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/sample.py +13 -2
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/study.py +20 -0
- {masster-0.3.5 → masster-0.3.7}/uv.lock +1 -1
- {masster-0.3.5 → masster-0.3.7}/.github/workflows/publish.yml +0 -0
- {masster-0.3.5 → masster-0.3.7}/.github/workflows/security.yml +0 -0
- {masster-0.3.5 → masster-0.3.7}/.github/workflows/test.yml +0 -0
- {masster-0.3.5 → masster-0.3.7}/.gitignore +0 -0
- {masster-0.3.5 → masster-0.3.7}/.pre-commit-config.yaml +0 -0
- {masster-0.3.5 → masster-0.3.7}/LICENSE +0 -0
- {masster-0.3.5 → masster-0.3.7}/Makefile +0 -0
- {masster-0.3.5 → masster-0.3.7}/README.md +0 -0
- {masster-0.3.5 → masster-0.3.7}/TESTING.md +0 -0
- {masster-0.3.5 → masster-0.3.7}/demo/example_batch_process.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/demo/example_sample_process.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/__init__.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/_version.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/chromatogram.py +0 -0
- {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
- {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
- {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
- {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
- {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
- {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
- {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
- {masster-0.3.5 → masster-0.3.7}/src/masster/logger.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/__init__.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/__init__.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/find_adducts_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/find_features_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/find_ms2_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/get_spectrum_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/defaults/sample_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/h5.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/helpers.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/lib.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/load.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/parameters.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/plot.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/processing.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/quant.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/sample5_schema.json +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/save.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/sample/sciex.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/spectrum.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/__init__.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/__init__.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/align_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/export_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/fill_chrom_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/fill_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/find_consensus_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/find_ms2_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/integrate_chrom_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/integrate_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/merge_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/defaults/study_def.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/export.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/h5.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/helpers.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/helpers_optimized.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/load.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/parameters.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/plot.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/processing.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/save.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/src/masster/study/study5_schema.json +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/conftest.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/test_chromatogram.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/test_defaults.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/test_imports.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/test_integration.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/test_logger.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/test_parameters.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/test_sample.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/test_spectrum.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/test_study.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tests/test_version.py +0 -0
- {masster-0.3.5 → masster-0.3.7}/tox.ini +0 -0
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import polars as pl
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from masster._version import get_version
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from masster.logger import MassterLogger
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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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# Sample-specific imports
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from masster.sample.h5 import _load_sample5
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@@ -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
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@@ -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(),
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_spec_to_mat = _spec_to_mat
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_save_featureXML = _save_featureXML
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# 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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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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@@ -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
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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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# 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
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def _reload(self):
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"""
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