smftools 0.2.3__py3-none-any.whl → 0.2.5__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (137) hide show
  1. smftools/__init__.py +6 -8
  2. smftools/_settings.py +4 -6
  3. smftools/_version.py +1 -1
  4. smftools/cli/helpers.py +54 -0
  5. smftools/cli/hmm_adata.py +937 -256
  6. smftools/cli/load_adata.py +448 -268
  7. smftools/cli/preprocess_adata.py +469 -263
  8. smftools/cli/spatial_adata.py +536 -319
  9. smftools/cli_entry.py +97 -182
  10. smftools/config/__init__.py +1 -1
  11. smftools/config/conversion.yaml +17 -6
  12. smftools/config/deaminase.yaml +12 -10
  13. smftools/config/default.yaml +142 -33
  14. smftools/config/direct.yaml +11 -3
  15. smftools/config/discover_input_files.py +19 -5
  16. smftools/config/experiment_config.py +594 -264
  17. smftools/constants.py +37 -0
  18. smftools/datasets/__init__.py +2 -8
  19. smftools/datasets/datasets.py +32 -18
  20. smftools/hmm/HMM.py +2128 -1418
  21. smftools/hmm/__init__.py +2 -9
  22. smftools/hmm/archived/call_hmm_peaks.py +121 -0
  23. smftools/hmm/call_hmm_peaks.py +299 -91
  24. smftools/hmm/display_hmm.py +19 -6
  25. smftools/hmm/hmm_readwrite.py +13 -4
  26. smftools/hmm/nucleosome_hmm_refinement.py +102 -14
  27. smftools/informatics/__init__.py +30 -7
  28. smftools/informatics/archived/helpers/archived/align_and_sort_BAM.py +14 -1
  29. smftools/informatics/archived/helpers/archived/bam_qc.py +14 -1
  30. smftools/informatics/archived/helpers/archived/concatenate_fastqs_to_bam.py +8 -1
  31. smftools/informatics/archived/helpers/archived/load_adata.py +3 -3
  32. smftools/informatics/archived/helpers/archived/plot_bed_histograms.py +3 -1
  33. smftools/informatics/archived/print_bam_query_seq.py +7 -1
  34. smftools/informatics/bam_functions.py +397 -175
  35. smftools/informatics/basecalling.py +51 -9
  36. smftools/informatics/bed_functions.py +90 -57
  37. smftools/informatics/binarize_converted_base_identities.py +18 -7
  38. smftools/informatics/complement_base_list.py +7 -6
  39. smftools/informatics/converted_BAM_to_adata.py +265 -122
  40. smftools/informatics/fasta_functions.py +161 -83
  41. smftools/informatics/h5ad_functions.py +196 -30
  42. smftools/informatics/modkit_extract_to_adata.py +609 -270
  43. smftools/informatics/modkit_functions.py +85 -44
  44. smftools/informatics/ohe.py +44 -21
  45. smftools/informatics/pod5_functions.py +112 -73
  46. smftools/informatics/run_multiqc.py +20 -14
  47. smftools/logging_utils.py +51 -0
  48. smftools/machine_learning/__init__.py +2 -7
  49. smftools/machine_learning/data/anndata_data_module.py +143 -50
  50. smftools/machine_learning/data/preprocessing.py +2 -1
  51. smftools/machine_learning/evaluation/__init__.py +1 -1
  52. smftools/machine_learning/evaluation/eval_utils.py +11 -14
  53. smftools/machine_learning/evaluation/evaluators.py +46 -33
  54. smftools/machine_learning/inference/__init__.py +1 -1
  55. smftools/machine_learning/inference/inference_utils.py +7 -4
  56. smftools/machine_learning/inference/lightning_inference.py +9 -13
  57. smftools/machine_learning/inference/sklearn_inference.py +6 -8
  58. smftools/machine_learning/inference/sliding_window_inference.py +35 -25
  59. smftools/machine_learning/models/__init__.py +10 -5
  60. smftools/machine_learning/models/base.py +28 -42
  61. smftools/machine_learning/models/cnn.py +15 -11
  62. smftools/machine_learning/models/lightning_base.py +71 -40
  63. smftools/machine_learning/models/mlp.py +13 -4
  64. smftools/machine_learning/models/positional.py +3 -2
  65. smftools/machine_learning/models/rnn.py +3 -2
  66. smftools/machine_learning/models/sklearn_models.py +39 -22
  67. smftools/machine_learning/models/transformer.py +68 -53
  68. smftools/machine_learning/models/wrappers.py +2 -1
  69. smftools/machine_learning/training/__init__.py +2 -2
  70. smftools/machine_learning/training/train_lightning_model.py +29 -20
  71. smftools/machine_learning/training/train_sklearn_model.py +9 -15
  72. smftools/machine_learning/utils/__init__.py +1 -1
  73. smftools/machine_learning/utils/device.py +7 -4
  74. smftools/machine_learning/utils/grl.py +3 -1
  75. smftools/metadata.py +443 -0
  76. smftools/plotting/__init__.py +19 -5
  77. smftools/plotting/autocorrelation_plotting.py +145 -44
  78. smftools/plotting/classifiers.py +162 -72
  79. smftools/plotting/general_plotting.py +422 -197
  80. smftools/plotting/hmm_plotting.py +42 -13
  81. smftools/plotting/position_stats.py +147 -87
  82. smftools/plotting/qc_plotting.py +20 -12
  83. smftools/preprocessing/__init__.py +10 -12
  84. smftools/preprocessing/append_base_context.py +115 -80
  85. smftools/preprocessing/append_binary_layer_by_base_context.py +77 -39
  86. smftools/preprocessing/{calculate_complexity.py → archived/calculate_complexity.py} +3 -1
  87. smftools/preprocessing/{archives → archived}/preprocessing.py +8 -6
  88. smftools/preprocessing/binarize.py +21 -4
  89. smftools/preprocessing/binarize_on_Youden.py +129 -31
  90. smftools/preprocessing/binary_layers_to_ohe.py +17 -11
  91. smftools/preprocessing/calculate_complexity_II.py +86 -59
  92. smftools/preprocessing/calculate_consensus.py +28 -19
  93. smftools/preprocessing/calculate_coverage.py +50 -25
  94. smftools/preprocessing/calculate_pairwise_differences.py +2 -1
  95. smftools/preprocessing/calculate_pairwise_hamming_distances.py +4 -3
  96. smftools/preprocessing/calculate_position_Youden.py +118 -54
  97. smftools/preprocessing/calculate_read_length_stats.py +52 -23
  98. smftools/preprocessing/calculate_read_modification_stats.py +91 -57
  99. smftools/preprocessing/clean_NaN.py +38 -28
  100. smftools/preprocessing/filter_adata_by_nan_proportion.py +24 -12
  101. smftools/preprocessing/filter_reads_on_length_quality_mapping.py +71 -38
  102. smftools/preprocessing/filter_reads_on_modification_thresholds.py +181 -73
  103. smftools/preprocessing/flag_duplicate_reads.py +689 -272
  104. smftools/preprocessing/invert_adata.py +26 -11
  105. smftools/preprocessing/load_sample_sheet.py +40 -22
  106. smftools/preprocessing/make_dirs.py +8 -3
  107. smftools/preprocessing/min_non_diagonal.py +2 -1
  108. smftools/preprocessing/recipes.py +56 -23
  109. smftools/preprocessing/reindex_references_adata.py +103 -0
  110. smftools/preprocessing/subsample_adata.py +33 -16
  111. smftools/readwrite.py +331 -82
  112. smftools/schema/__init__.py +11 -0
  113. smftools/schema/anndata_schema_v1.yaml +227 -0
  114. smftools/tools/__init__.py +3 -4
  115. smftools/tools/archived/classifiers.py +163 -0
  116. smftools/tools/archived/subset_adata_v1.py +10 -1
  117. smftools/tools/archived/subset_adata_v2.py +12 -1
  118. smftools/tools/calculate_umap.py +54 -15
  119. smftools/tools/cluster_adata_on_methylation.py +115 -46
  120. smftools/tools/general_tools.py +70 -25
  121. smftools/tools/position_stats.py +229 -98
  122. smftools/tools/read_stats.py +50 -29
  123. smftools/tools/spatial_autocorrelation.py +365 -192
  124. smftools/tools/subset_adata.py +23 -21
  125. {smftools-0.2.3.dist-info → smftools-0.2.5.dist-info}/METADATA +17 -39
  126. smftools-0.2.5.dist-info/RECORD +181 -0
  127. smftools-0.2.3.dist-info/RECORD +0 -173
  128. /smftools/cli/{cli_flows.py → archived/cli_flows.py} +0 -0
  129. /smftools/hmm/{apply_hmm_batched.py → archived/apply_hmm_batched.py} +0 -0
  130. /smftools/hmm/{calculate_distances.py → archived/calculate_distances.py} +0 -0
  131. /smftools/hmm/{train_hmm.py → archived/train_hmm.py} +0 -0
  132. /smftools/preprocessing/{add_read_length_and_mapping_qc.py → archived/add_read_length_and_mapping_qc.py} +0 -0
  133. /smftools/preprocessing/{archives → archived}/mark_duplicates.py +0 -0
  134. /smftools/preprocessing/{archives → archived}/remove_duplicates.py +0 -0
  135. {smftools-0.2.3.dist-info → smftools-0.2.5.dist-info}/WHEEL +0 -0
  136. {smftools-0.2.3.dist-info → smftools-0.2.5.dist-info}/entry_points.txt +0 -0
  137. {smftools-0.2.3.dist-info → smftools-0.2.5.dist-info}/licenses/LICENSE +0 -0
smftools/__init__.py CHANGED
@@ -2,17 +2,15 @@
2
2
 
3
3
  import logging
4
4
  import warnings
5
+ from importlib.metadata import version
5
6
 
7
+ from . import cli, config, datasets, hmm
6
8
  from . import informatics as inform
7
9
  from . import machine_learning as ml
8
10
  from . import plotting as pl
9
11
  from . import preprocessing as pp
10
12
  from . import tools as tl
11
-
12
- from . import cli, config, datasets, hmm
13
- from .readwrite import adata_to_df, safe_write_h5ad, safe_read_h5ad, merge_barcoded_anndatas_core
14
-
15
- from importlib.metadata import version
13
+ from .readwrite import adata_to_df, merge_barcoded_anndatas_core, safe_read_h5ad, safe_write_h5ad
16
14
 
17
15
  package_name = "smftools"
18
16
  __version__ = version(package_name)
@@ -24,7 +22,7 @@ __all__ = [
24
22
  "pp",
25
23
  "tl",
26
24
  "pl",
27
- "datasets"
25
+ "datasets",
28
26
  "safe_write_h5ad",
29
- "safe_read_h5ad"
30
- ]
27
+ "safe_read_h5ad",
28
+ ]
smftools/_settings.py CHANGED
@@ -1,20 +1,18 @@
1
1
  from pathlib import Path
2
2
  from typing import Union
3
3
 
4
+
4
5
  class SMFConfig:
5
6
  """\
6
7
  Config for smftools.
7
8
  """
8
9
 
9
- def __init__(
10
- self,
11
- *,
12
- datasetdir: Union[Path, str] = "./datasets/"
13
- ):
10
+ def __init__(self, *, datasetdir: Union[Path, str] = "./datasets/"):
14
11
  self._datasetdir = Path(datasetdir) if isinstance(datasetdir, str) else datasetdir
15
12
 
16
13
  @property
17
14
  def datasetdir(self) -> Path:
18
15
  return self._datasetdir
19
16
 
20
- settings = SMFConfig()
17
+
18
+ settings = SMFConfig()
smftools/_version.py CHANGED
@@ -1 +1 @@
1
- __version__ = "0.2.3"
1
+ __version__ = "0.2.5"
@@ -0,0 +1,54 @@
1
+ from dataclasses import dataclass
2
+ from pathlib import Path
3
+
4
+ import anndata as ad
5
+
6
+ from ..metadata import write_runtime_schema_yaml
7
+ from ..readwrite import safe_write_h5ad
8
+
9
+
10
+ @dataclass
11
+ class AdataPaths:
12
+ raw: Path
13
+ pp: Path
14
+ pp_dedup: Path
15
+ spatial: Path
16
+ hmm: Path
17
+
18
+
19
+ def get_adata_paths(cfg) -> AdataPaths:
20
+ """
21
+ Central helper: given cfg, compute all standard AnnData paths.
22
+ """
23
+ h5_dir = Path(cfg.output_directory) / "h5ads"
24
+
25
+ raw = h5_dir / f"{cfg.experiment_name}.h5ad.gz"
26
+
27
+ pp = h5_dir / f"{cfg.experiment_name}_preprocessed.h5ad.gz"
28
+
29
+ if cfg.smf_modality == "direct":
30
+ # direct SMF: duplicate-removed path is just preprocessed path
31
+ pp_dedup = pp
32
+ else:
33
+ pp_dedup = h5_dir / f"{cfg.experiment_name}_preprocessed_duplicates_removed.h5ad.gz"
34
+
35
+ pp_dedup_base = pp_dedup.name.removesuffix(".h5ad.gz")
36
+
37
+ spatial = h5_dir / f"{pp_dedup_base}_spatial.h5ad.gz"
38
+ hmm = h5_dir / f"{pp_dedup_base}_spatial_hmm.h5ad.gz"
39
+
40
+ return AdataPaths(
41
+ raw=raw,
42
+ pp=pp,
43
+ pp_dedup=pp_dedup,
44
+ spatial=spatial,
45
+ hmm=hmm,
46
+ )
47
+
48
+
49
+ def write_gz_h5ad(adata: ad.AnnData, path: Path) -> Path:
50
+ if path.suffix != ".gz":
51
+ path = path.with_name(path.name + ".gz")
52
+ safe_write_h5ad(adata, path, compression="gzip", backup=True)
53
+ write_runtime_schema_yaml(adata, path, step_name="runtime")
54
+ return path