smftools 0.1.7__py3-none-any.whl → 0.2.3__py3-none-any.whl

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Files changed (174) hide show
  1. smftools/__init__.py +7 -6
  2. smftools/_version.py +1 -1
  3. smftools/cli/cli_flows.py +94 -0
  4. smftools/cli/hmm_adata.py +338 -0
  5. smftools/cli/load_adata.py +577 -0
  6. smftools/cli/preprocess_adata.py +363 -0
  7. smftools/cli/spatial_adata.py +564 -0
  8. smftools/cli_entry.py +435 -0
  9. smftools/config/__init__.py +1 -0
  10. smftools/config/conversion.yaml +38 -0
  11. smftools/config/deaminase.yaml +61 -0
  12. smftools/config/default.yaml +264 -0
  13. smftools/config/direct.yaml +41 -0
  14. smftools/config/discover_input_files.py +115 -0
  15. smftools/config/experiment_config.py +1288 -0
  16. smftools/hmm/HMM.py +1576 -0
  17. smftools/hmm/__init__.py +20 -0
  18. smftools/{tools → hmm}/apply_hmm_batched.py +8 -7
  19. smftools/hmm/call_hmm_peaks.py +106 -0
  20. smftools/{tools → hmm}/display_hmm.py +3 -3
  21. smftools/{tools → hmm}/nucleosome_hmm_refinement.py +2 -2
  22. smftools/{tools → hmm}/train_hmm.py +1 -1
  23. smftools/informatics/__init__.py +13 -9
  24. smftools/informatics/archived/deaminase_smf.py +132 -0
  25. smftools/informatics/archived/fast5_to_pod5.py +43 -0
  26. smftools/informatics/archived/helpers/archived/__init__.py +71 -0
  27. smftools/informatics/archived/helpers/archived/align_and_sort_BAM.py +126 -0
  28. smftools/informatics/archived/helpers/archived/aligned_BAM_to_bed.py +87 -0
  29. smftools/informatics/archived/helpers/archived/bam_qc.py +213 -0
  30. smftools/informatics/archived/helpers/archived/bed_to_bigwig.py +90 -0
  31. smftools/informatics/archived/helpers/archived/concatenate_fastqs_to_bam.py +259 -0
  32. smftools/informatics/{helpers → archived/helpers/archived}/count_aligned_reads.py +2 -2
  33. smftools/informatics/{helpers → archived/helpers/archived}/demux_and_index_BAM.py +8 -10
  34. smftools/informatics/{helpers → archived/helpers/archived}/extract_base_identities.py +30 -4
  35. smftools/informatics/{helpers → archived/helpers/archived}/extract_mods.py +15 -13
  36. smftools/informatics/{helpers → archived/helpers/archived}/extract_read_features_from_bam.py +4 -2
  37. smftools/informatics/{helpers → archived/helpers/archived}/find_conversion_sites.py +5 -4
  38. smftools/informatics/{helpers → archived/helpers/archived}/generate_converted_FASTA.py +2 -0
  39. smftools/informatics/{helpers → archived/helpers/archived}/get_chromosome_lengths.py +9 -8
  40. smftools/informatics/archived/helpers/archived/index_fasta.py +24 -0
  41. smftools/informatics/{helpers → archived/helpers/archived}/make_modbed.py +1 -2
  42. smftools/informatics/{helpers → archived/helpers/archived}/modQC.py +2 -2
  43. smftools/informatics/archived/helpers/archived/plot_bed_histograms.py +250 -0
  44. smftools/informatics/{helpers → archived/helpers/archived}/separate_bam_by_bc.py +8 -7
  45. smftools/informatics/{helpers → archived/helpers/archived}/split_and_index_BAM.py +8 -12
  46. smftools/informatics/archived/subsample_fasta_from_bed.py +49 -0
  47. smftools/informatics/bam_functions.py +812 -0
  48. smftools/informatics/basecalling.py +67 -0
  49. smftools/informatics/bed_functions.py +366 -0
  50. smftools/informatics/binarize_converted_base_identities.py +172 -0
  51. smftools/informatics/{helpers/converted_BAM_to_adata_II.py → converted_BAM_to_adata.py} +198 -50
  52. smftools/informatics/fasta_functions.py +255 -0
  53. smftools/informatics/h5ad_functions.py +197 -0
  54. smftools/informatics/{helpers/modkit_extract_to_adata.py → modkit_extract_to_adata.py} +147 -61
  55. smftools/informatics/modkit_functions.py +129 -0
  56. smftools/informatics/ohe.py +160 -0
  57. smftools/informatics/pod5_functions.py +224 -0
  58. smftools/informatics/{helpers/run_multiqc.py → run_multiqc.py} +5 -2
  59. smftools/machine_learning/__init__.py +12 -0
  60. smftools/machine_learning/data/__init__.py +2 -0
  61. smftools/machine_learning/data/anndata_data_module.py +234 -0
  62. smftools/machine_learning/evaluation/__init__.py +2 -0
  63. smftools/machine_learning/evaluation/eval_utils.py +31 -0
  64. smftools/machine_learning/evaluation/evaluators.py +223 -0
  65. smftools/machine_learning/inference/__init__.py +3 -0
  66. smftools/machine_learning/inference/inference_utils.py +27 -0
  67. smftools/machine_learning/inference/lightning_inference.py +68 -0
  68. smftools/machine_learning/inference/sklearn_inference.py +55 -0
  69. smftools/machine_learning/inference/sliding_window_inference.py +114 -0
  70. smftools/machine_learning/models/base.py +295 -0
  71. smftools/machine_learning/models/cnn.py +138 -0
  72. smftools/machine_learning/models/lightning_base.py +345 -0
  73. smftools/machine_learning/models/mlp.py +26 -0
  74. smftools/{tools → machine_learning}/models/positional.py +3 -2
  75. smftools/{tools → machine_learning}/models/rnn.py +2 -1
  76. smftools/machine_learning/models/sklearn_models.py +273 -0
  77. smftools/machine_learning/models/transformer.py +303 -0
  78. smftools/machine_learning/training/__init__.py +2 -0
  79. smftools/machine_learning/training/train_lightning_model.py +135 -0
  80. smftools/machine_learning/training/train_sklearn_model.py +114 -0
  81. smftools/plotting/__init__.py +4 -1
  82. smftools/plotting/autocorrelation_plotting.py +609 -0
  83. smftools/plotting/general_plotting.py +1292 -140
  84. smftools/plotting/hmm_plotting.py +260 -0
  85. smftools/plotting/qc_plotting.py +270 -0
  86. smftools/preprocessing/__init__.py +15 -8
  87. smftools/preprocessing/add_read_length_and_mapping_qc.py +129 -0
  88. smftools/preprocessing/append_base_context.py +122 -0
  89. smftools/preprocessing/append_binary_layer_by_base_context.py +143 -0
  90. smftools/preprocessing/binarize.py +17 -0
  91. smftools/preprocessing/binarize_on_Youden.py +2 -2
  92. smftools/preprocessing/calculate_complexity_II.py +248 -0
  93. smftools/preprocessing/calculate_coverage.py +10 -1
  94. smftools/preprocessing/calculate_position_Youden.py +1 -1
  95. smftools/preprocessing/calculate_read_modification_stats.py +101 -0
  96. smftools/preprocessing/clean_NaN.py +17 -1
  97. smftools/preprocessing/filter_reads_on_length_quality_mapping.py +158 -0
  98. smftools/preprocessing/filter_reads_on_modification_thresholds.py +352 -0
  99. smftools/preprocessing/flag_duplicate_reads.py +1326 -124
  100. smftools/preprocessing/invert_adata.py +12 -5
  101. smftools/preprocessing/load_sample_sheet.py +19 -4
  102. smftools/readwrite.py +1021 -89
  103. smftools/tools/__init__.py +3 -32
  104. smftools/tools/calculate_umap.py +5 -5
  105. smftools/tools/general_tools.py +3 -3
  106. smftools/tools/position_stats.py +468 -106
  107. smftools/tools/read_stats.py +115 -1
  108. smftools/tools/spatial_autocorrelation.py +562 -0
  109. {smftools-0.1.7.dist-info → smftools-0.2.3.dist-info}/METADATA +14 -9
  110. smftools-0.2.3.dist-info/RECORD +173 -0
  111. smftools-0.2.3.dist-info/entry_points.txt +2 -0
  112. smftools/informatics/fast5_to_pod5.py +0 -21
  113. smftools/informatics/helpers/LoadExperimentConfig.py +0 -75
  114. smftools/informatics/helpers/__init__.py +0 -74
  115. smftools/informatics/helpers/align_and_sort_BAM.py +0 -59
  116. smftools/informatics/helpers/aligned_BAM_to_bed.py +0 -74
  117. smftools/informatics/helpers/bam_qc.py +0 -66
  118. smftools/informatics/helpers/bed_to_bigwig.py +0 -39
  119. smftools/informatics/helpers/binarize_converted_base_identities.py +0 -79
  120. smftools/informatics/helpers/concatenate_fastqs_to_bam.py +0 -55
  121. smftools/informatics/helpers/index_fasta.py +0 -12
  122. smftools/informatics/helpers/make_dirs.py +0 -21
  123. smftools/informatics/helpers/plot_read_length_and_coverage_histograms.py +0 -53
  124. smftools/informatics/load_adata.py +0 -182
  125. smftools/informatics/readwrite.py +0 -106
  126. smftools/informatics/subsample_fasta_from_bed.py +0 -47
  127. smftools/preprocessing/append_C_context.py +0 -82
  128. smftools/preprocessing/calculate_converted_read_methylation_stats.py +0 -94
  129. smftools/preprocessing/filter_converted_reads_on_methylation.py +0 -44
  130. smftools/preprocessing/filter_reads_on_length.py +0 -51
  131. smftools/tools/call_hmm_peaks.py +0 -105
  132. smftools/tools/data/__init__.py +0 -2
  133. smftools/tools/data/anndata_data_module.py +0 -90
  134. smftools/tools/inference/__init__.py +0 -1
  135. smftools/tools/inference/lightning_inference.py +0 -41
  136. smftools/tools/models/base.py +0 -14
  137. smftools/tools/models/cnn.py +0 -34
  138. smftools/tools/models/lightning_base.py +0 -41
  139. smftools/tools/models/mlp.py +0 -17
  140. smftools/tools/models/sklearn_models.py +0 -40
  141. smftools/tools/models/transformer.py +0 -133
  142. smftools/tools/training/__init__.py +0 -1
  143. smftools/tools/training/train_lightning_model.py +0 -47
  144. smftools-0.1.7.dist-info/RECORD +0 -136
  145. /smftools/{tools/evaluation → cli}/__init__.py +0 -0
  146. /smftools/{tools → hmm}/calculate_distances.py +0 -0
  147. /smftools/{tools → hmm}/hmm_readwrite.py +0 -0
  148. /smftools/informatics/{basecall_pod5s.py → archived/basecall_pod5s.py} +0 -0
  149. /smftools/informatics/{conversion_smf.py → archived/conversion_smf.py} +0 -0
  150. /smftools/informatics/{direct_smf.py → archived/direct_smf.py} +0 -0
  151. /smftools/informatics/{helpers → archived/helpers/archived}/canoncall.py +0 -0
  152. /smftools/informatics/{helpers → archived/helpers/archived}/converted_BAM_to_adata.py +0 -0
  153. /smftools/informatics/{helpers → archived/helpers/archived}/extract_read_lengths_from_bed.py +0 -0
  154. /smftools/informatics/{helpers → archived/helpers/archived}/extract_readnames_from_BAM.py +0 -0
  155. /smftools/informatics/{helpers → archived/helpers/archived}/get_native_references.py +0 -0
  156. /smftools/informatics/{helpers → archived/helpers}/archived/informatics.py +0 -0
  157. /smftools/informatics/{helpers → archived/helpers}/archived/load_adata.py +0 -0
  158. /smftools/informatics/{helpers → archived/helpers/archived}/modcall.py +0 -0
  159. /smftools/informatics/{helpers → archived/helpers/archived}/ohe_batching.py +0 -0
  160. /smftools/informatics/{helpers → archived/helpers/archived}/ohe_layers_decode.py +0 -0
  161. /smftools/informatics/{helpers → archived/helpers/archived}/one_hot_decode.py +0 -0
  162. /smftools/informatics/{helpers → archived/helpers/archived}/one_hot_encode.py +0 -0
  163. /smftools/informatics/{subsample_pod5.py → archived/subsample_pod5.py} +0 -0
  164. /smftools/informatics/{helpers/complement_base_list.py → complement_base_list.py} +0 -0
  165. /smftools/{tools → machine_learning}/data/preprocessing.py +0 -0
  166. /smftools/{tools → machine_learning}/models/__init__.py +0 -0
  167. /smftools/{tools → machine_learning}/models/wrappers.py +0 -0
  168. /smftools/{tools → machine_learning}/utils/__init__.py +0 -0
  169. /smftools/{tools → machine_learning}/utils/device.py +0 -0
  170. /smftools/{tools → machine_learning}/utils/grl.py +0 -0
  171. /smftools/tools/{apply_hmm.py → archived/apply_hmm.py} +0 -0
  172. /smftools/tools/{classifiers.py → archived/classifiers.py} +0 -0
  173. {smftools-0.1.7.dist-info → smftools-0.2.3.dist-info}/WHEEL +0 -0
  174. {smftools-0.1.7.dist-info → smftools-0.2.3.dist-info}/licenses/LICENSE +0 -0
@@ -1,8 +1,6 @@
1
1
  ## invert_adata
2
2
 
3
- # Optional inversion of the adata
4
-
5
- def invert_adata(adata):
3
+ def invert_adata(adata, uns_flag='adata_positions_inverted', force_redo=False):
6
4
  """
7
5
  Inverts the AnnData object along the column (variable) axis.
8
6
 
@@ -15,7 +13,13 @@ def invert_adata(adata):
15
13
  import numpy as np
16
14
  import anndata as ad
17
15
 
18
- print("🔄 Inverting AnnData along the column axis...")
16
+ # Only run if not already performed
17
+ already = bool(adata.uns.get(uns_flag, False))
18
+ if (already and not force_redo):
19
+ # QC already performed; nothing to do
20
+ return adata
21
+
22
+ print("Inverting AnnData along the column axis...")
19
23
 
20
24
  # Reverse the order of columns (variables)
21
25
  inverted_adata = adata[:, ::-1].copy()
@@ -26,5 +30,8 @@ def invert_adata(adata):
26
30
  # Optional: Store original coordinates for reference
27
31
  inverted_adata.var["Original_var_names"] = adata.var_names[::-1]
28
32
 
29
- print("✅ Inversion complete!")
33
+ # mark as done
34
+ inverted_adata.uns[uns_flag] = True
35
+
36
+ print("Inversion complete!")
30
37
  return inverted_adata
@@ -1,4 +1,10 @@
1
- def load_sample_sheet(adata, sample_sheet_path, mapping_key_column='obs_names', as_category=True):
1
+ def load_sample_sheet(adata,
2
+ sample_sheet_path,
3
+ mapping_key_column='obs_names',
4
+ as_category=True,
5
+ uns_flag='sample_sheet_loaded',
6
+ force_reload=True
7
+ ):
2
8
  """
3
9
  Loads a sample sheet CSV and maps metadata into the AnnData object as categorical columns.
4
10
 
@@ -13,7 +19,13 @@ def load_sample_sheet(adata, sample_sheet_path, mapping_key_column='obs_names',
13
19
  """
14
20
  import pandas as pd
15
21
 
16
- print('🔹 Loading sample sheet...')
22
+ # Only run if not already performed
23
+ already = bool(adata.uns.get(uns_flag, False))
24
+ if already and not force_reload:
25
+ # QC already performed; nothing to do
26
+ return
27
+
28
+ print('Loading sample sheet...')
17
29
  df = pd.read_csv(sample_sheet_path)
18
30
  df[mapping_key_column] = df[mapping_key_column].astype(str)
19
31
 
@@ -25,7 +37,7 @@ def load_sample_sheet(adata, sample_sheet_path, mapping_key_column='obs_names',
25
37
 
26
38
  value_columns = [col for col in df.columns if col != mapping_key_column]
27
39
 
28
- print(f'🔹 Appending metadata columns: {value_columns}')
40
+ print(f'Appending metadata columns: {value_columns}')
29
41
  df = df.set_index(mapping_key_column)
30
42
 
31
43
  for col in value_columns:
@@ -34,5 +46,8 @@ def load_sample_sheet(adata, sample_sheet_path, mapping_key_column='obs_names',
34
46
  mapped = mapped.astype('category')
35
47
  adata.obs[col] = mapped
36
48
 
37
- print('✅ Sample sheet metadata successfully added as categories.' if as_category else '✅ Metadata added.')
49
+ # mark as done
50
+ adata.uns[uns_flag] = True
51
+
52
+ print('Sample sheet metadata successfully added as categories.' if as_category else 'Metadata added.')
38
53
  return adata