flua 0.0.1__tar.gz
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.
- flua-0.0.1/.gitignore +208 -0
- flua-0.0.1/.pre-commit-config.yaml +17 -0
- flua-0.0.1/LICENSE +21 -0
- flua-0.0.1/PKG-INFO +69 -0
- flua-0.0.1/README.md +40 -0
- flua-0.0.1/pyproject.toml +99 -0
- flua-0.0.1/src/flua/__init__.py +33 -0
- flua-0.0.1/src/flua/constants.py +110 -0
- flua-0.0.1/src/flua/display.py +26 -0
- flua-0.0.1/src/flua/io.py +187 -0
- flua-0.0.1/src/flua/models.py +74 -0
- flua-0.0.1/src/flua/products.py +166 -0
- flua-0.0.1/src/flua/seq_utils.py +140 -0
flua-0.0.1/.gitignore
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rev: v0.4.10
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flua-0.0.1/LICENSE
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MIT License
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Copyright (c) 2026 Sangwook Kim
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Permission is hereby granted, free of charge, to any person obtaining a copy
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of this software and associated documentation files (the "Software"), to deal
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in the Software without restriction, including without limitation the rights
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to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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copies of the Software, and to permit persons to whom the Software is
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furnished to do so, subject to the following conditions:
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The above copyright notice and this permission notice shall be included in all
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copies or substantial portions of the Software.
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THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
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LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
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SOFTWARE.
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flua-0.0.1/PKG-INFO
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Metadata-Version: 2.4
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Name: flua
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Version: 0.0.1
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Summary: A library for structured flu sequence analysis
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Project-URL: Homepage, https://github.com/ov3rfit/flua
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Project-URL: Repository, https://github.com/ov3rfit/flua
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Project-URL: Issues, https://github.com/ov3rfit/flua/issues
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Author-email: Sangwook Kim <windaheadjp@gmail.com>
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License-Expression: MIT
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License-File: LICENSE
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Classifier: Development Status :: 3 - Alpha
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Classifier: License :: OSI Approved :: MIT License
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Classifier: Operating System :: OS Independent
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Classifier: Programming Language :: Python :: 3
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Classifier: Programming Language :: Python :: 3.10
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Classifier: Programming Language :: Python :: 3.11
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Classifier: Programming Language :: Python :: 3.12
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Classifier: Programming Language :: Python :: 3.13
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Requires-Python: >=3.11
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Requires-Dist: biopython>=1.85
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Requires-Dist: pandas>=2.0
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Provides-Extra: dev
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Requires-Dist: ruff>=0.8; extra == 'dev'
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Description-Content-Type: text/markdown
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# flua
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> **Note:** This project is under active development. APIs may change without notice.
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Influenza A sequence analysis toolkit.
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## (Current) Features
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- Load and parse influenza A FASTA files
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- Automatic sequence type detection (DNA / RNA / Protein)
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- Subtype extraction from FASTA headers (e.g. H1N1, H5N1pdm09)
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- Segment identification (PB2, PB1, PA, HA, NP, NA, MP, NS)
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- Translation with alternative product generation (splicing, frameshift, alt-ORF)
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- DataFrame export for multi-sample comparative analysis
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## Installation
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```bash
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pip install -e ".[dev]"
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```
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## Usage
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```python
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from flua import load_fasta, groups_to_dataframe, load_multiple_fasta
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group = load_fasta("sample.fasta")
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print(group.subtype) # e.g. "H1N1"
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groups = load_multiple_fasta(["sample1.fasta", "sample2.fasta"])
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df = groups_to_dataframe(groups, value_type="translated")
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```
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## Development
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```bash
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pytest
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```
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flua-0.0.1/README.md
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# flua
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> **Note:** This project is under active development. APIs may change without notice.
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Influenza A sequence analysis toolkit.
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## (Current) Features
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- Load and parse influenza A FASTA files
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- Automatic sequence type detection (DNA / RNA / Protein)
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- Subtype extraction from FASTA headers (e.g. H1N1, H5N1pdm09)
|
|
12
|
+
- Segment identification (PB2, PB1, PA, HA, NP, NA, MP, NS)
|
|
13
|
+
- Translation with alternative product generation (splicing, frameshift, alt-ORF)
|
|
14
|
+
- DataFrame export for multi-sample comparative analysis
|
|
15
|
+
|
|
16
|
+
## Installation
|
|
17
|
+
|
|
18
|
+
```bash
|
|
19
|
+
pip install -e ".[dev]"
|
|
20
|
+
```
|
|
21
|
+
|
|
22
|
+
## Usage
|
|
23
|
+
|
|
24
|
+
```python
|
|
25
|
+
from flua import load_fasta, groups_to_dataframe, load_multiple_fasta
|
|
26
|
+
|
|
27
|
+
group = load_fasta("sample.fasta")
|
|
28
|
+
print(group.subtype) # e.g. "H1N1"
|
|
29
|
+
|
|
30
|
+
groups = load_multiple_fasta(["sample1.fasta", "sample2.fasta"])
|
|
31
|
+
df = groups_to_dataframe(groups, value_type="translated")
|
|
32
|
+
```
|
|
33
|
+
|
|
34
|
+
## Development
|
|
35
|
+
|
|
36
|
+
```bash
|
|
37
|
+
pip install -e ".[dev]"
|
|
38
|
+
pytest
|
|
39
|
+
ruff check src/ tests/
|
|
40
|
+
```
|
|
@@ -0,0 +1,99 @@
|
|
|
1
|
+
[build-system]
|
|
2
|
+
requires = ["hatchling"]
|
|
3
|
+
build-backend = "hatchling.build"
|
|
4
|
+
|
|
5
|
+
|
|
6
|
+
# ---- Project Metadata ----
|
|
7
|
+
|
|
8
|
+
[project]
|
|
9
|
+
name = "flua"
|
|
10
|
+
version = "0.0.1"
|
|
11
|
+
description = "A library for structured flu sequence analysis"
|
|
12
|
+
readme = "README.md"
|
|
13
|
+
license = "MIT"
|
|
14
|
+
requires-python = ">=3.11"
|
|
15
|
+
authors = [
|
|
16
|
+
{ name = "Sangwook Kim", email = "windaheadjp@gmail.com" },
|
|
17
|
+
]
|
|
18
|
+
classifiers = [
|
|
19
|
+
"Development Status :: 3 - Alpha",
|
|
20
|
+
"Programming Language :: Python :: 3",
|
|
21
|
+
"Programming Language :: Python :: 3.10",
|
|
22
|
+
"Programming Language :: Python :: 3.11",
|
|
23
|
+
"Programming Language :: Python :: 3.12",
|
|
24
|
+
"Programming Language :: Python :: 3.13",
|
|
25
|
+
"License :: OSI Approved :: MIT License",
|
|
26
|
+
"Operating System :: OS Independent",
|
|
27
|
+
]
|
|
28
|
+
dependencies = [
|
|
29
|
+
"pandas>=2.0",
|
|
30
|
+
"biopython>=1.85",
|
|
31
|
+
]
|
|
32
|
+
|
|
33
|
+
[project.optional-dependencies]
|
|
34
|
+
dev = [
|
|
35
|
+
"pytest>=8.0",
|
|
36
|
+
"pytest-cov>=5.0",
|
|
37
|
+
"ruff>=0.8",
|
|
38
|
+
"pre-commit>=4.0",
|
|
39
|
+
"ipykernel>=6.0", # Jupyter notebook support
|
|
40
|
+
]
|
|
41
|
+
|
|
42
|
+
[project.urls]
|
|
43
|
+
Homepage = "https://github.com/ov3rfit/flua"
|
|
44
|
+
Repository = "https://github.com/ov3rfit/flua"
|
|
45
|
+
Issues = "https://github.com/ov3rfit/flua/issues"
|
|
46
|
+
|
|
47
|
+
|
|
48
|
+
# ---- Hatch Build Settings ----
|
|
49
|
+
|
|
50
|
+
[tool.hatch.build.targets.sdist]
|
|
51
|
+
exclude = [
|
|
52
|
+
"notebooks/",
|
|
53
|
+
"tests/",
|
|
54
|
+
".github/",
|
|
55
|
+
]
|
|
56
|
+
|
|
57
|
+
[tool.hatch.build.targets.wheel]
|
|
58
|
+
packages = ["src/flua"]
|
|
59
|
+
|
|
60
|
+
|
|
61
|
+
# ---- Ruff ----
|
|
62
|
+
|
|
63
|
+
[tool.ruff]
|
|
64
|
+
target-version = "py310"
|
|
65
|
+
line-length = 88
|
|
66
|
+
src = ["src"]
|
|
67
|
+
|
|
68
|
+
[tool.ruff.lint]
|
|
69
|
+
select = [
|
|
70
|
+
"E", # pycodestyle errors
|
|
71
|
+
"W", # pycodestyle warnings
|
|
72
|
+
"F", # pyflakes
|
|
73
|
+
"I", # isort
|
|
74
|
+
"N", # pep8-naming
|
|
75
|
+
"UP", # pyupgrade
|
|
76
|
+
"B", # flake8-bugbear
|
|
77
|
+
"SIM", # flake8-simplify
|
|
78
|
+
]
|
|
79
|
+
|
|
80
|
+
[tool.ruff.lint.isort]
|
|
81
|
+
known-first-party = ["flua"]
|
|
82
|
+
|
|
83
|
+
|
|
84
|
+
# ---- Pytest ----
|
|
85
|
+
|
|
86
|
+
[tool.pytest.ini_options]
|
|
87
|
+
testpaths = ["tests"]
|
|
88
|
+
pythonpath = ["src"]
|
|
89
|
+
|
|
90
|
+
|
|
91
|
+
# ---- Coverage ----
|
|
92
|
+
|
|
93
|
+
[tool.coverage.run]
|
|
94
|
+
source = ["flua"]
|
|
95
|
+
omit = ["tests/*", "notebooks/*"]
|
|
96
|
+
|
|
97
|
+
[tool.coverage.report]
|
|
98
|
+
show_missing = true
|
|
99
|
+
skip_empty = true
|
|
@@ -0,0 +1,33 @@
|
|
|
1
|
+
"""flua – Influenza A FASTA sequence analysis toolkit."""
|
|
2
|
+
|
|
3
|
+
from flua.constants import ALTERNATIVE_PRODUCTS, INFLUENZA_SEGMENTS
|
|
4
|
+
from flua.display import print_group_summary
|
|
5
|
+
from flua.io import groups_to_dataframe, load_fasta, load_multiple_fasta
|
|
6
|
+
from flua.models import AnalyzedSequence, SequenceGroup
|
|
7
|
+
from flua.products import AlternativeProduct, generate_alternative_products
|
|
8
|
+
from flua.seq_utils import (
|
|
9
|
+
detect_sequence_type,
|
|
10
|
+
extract_subtype,
|
|
11
|
+
identify_segment,
|
|
12
|
+
translate_sequence,
|
|
13
|
+
)
|
|
14
|
+
|
|
15
|
+
__all__ = [
|
|
16
|
+
# Constants
|
|
17
|
+
"ALTERNATIVE_PRODUCTS",
|
|
18
|
+
"INFLUENZA_SEGMENTS",
|
|
19
|
+
# Models
|
|
20
|
+
"AlternativeProduct",
|
|
21
|
+
"AnalyzedSequence",
|
|
22
|
+
"SequenceGroup",
|
|
23
|
+
# Functions
|
|
24
|
+
"detect_sequence_type",
|
|
25
|
+
"extract_subtype",
|
|
26
|
+
"generate_alternative_products",
|
|
27
|
+
"groups_to_dataframe",
|
|
28
|
+
"identify_segment",
|
|
29
|
+
"load_fasta",
|
|
30
|
+
"load_multiple_fasta",
|
|
31
|
+
"print_group_summary",
|
|
32
|
+
"translate_sequence",
|
|
33
|
+
]
|
|
@@ -0,0 +1,110 @@
|
|
|
1
|
+
"""Constants and configuration for influenza A sequence analysis."""
|
|
2
|
+
|
|
3
|
+
from __future__ import annotations
|
|
4
|
+
|
|
5
|
+
# Standard influenza A segment names (8 segments).
|
|
6
|
+
INFLUENZA_SEGMENTS = ["PB2", "PB1", "PA", "HA", "NP", "NA", "MP", "NS"]
|
|
7
|
+
|
|
8
|
+
# IUPAC amino acid characters that never appear in DNA/RNA sequences.
|
|
9
|
+
PROTEIN_ONLY_CHARS = set("FLIMSPHQEDKWRV")
|
|
10
|
+
|
|
11
|
+
# ---------------------------------------------------------------------------
|
|
12
|
+
# Influenza A alternative product definitions
|
|
13
|
+
# ---------------------------------------------------------------------------
|
|
14
|
+
# Mechanism types:
|
|
15
|
+
# "direct" – translate the full-length sequence in frame 1
|
|
16
|
+
# "splicing" – join exon1 + exon2, then translate
|
|
17
|
+
# "alt_orf" – scan a specified reading frame for the first ATG
|
|
18
|
+
# "frameshift" – ribosomal frameshift: N-terminal frame 0, then +1 frame
|
|
19
|
+
#
|
|
20
|
+
# Coordinates are 0-based and correspond to a canonical influenza A genome.
|
|
21
|
+
# Exact positions may vary slightly between strains.
|
|
22
|
+
# ---------------------------------------------------------------------------
|
|
23
|
+
|
|
24
|
+
ALTERNATIVE_PRODUCTS: dict[str, list[dict]] = {
|
|
25
|
+
"PB2": [
|
|
26
|
+
{
|
|
27
|
+
"name": "PB2",
|
|
28
|
+
"mechanism": "direct",
|
|
29
|
+
"description": "RNA-dependent RNA polymerase subunit PB2",
|
|
30
|
+
},
|
|
31
|
+
],
|
|
32
|
+
"PB1": [
|
|
33
|
+
{
|
|
34
|
+
"name": "PB1",
|
|
35
|
+
"mechanism": "direct",
|
|
36
|
+
"description": "RNA-dependent RNA polymerase subunit PB1",
|
|
37
|
+
},
|
|
38
|
+
{
|
|
39
|
+
"name": "PB1-F2",
|
|
40
|
+
"mechanism": "alt_orf",
|
|
41
|
+
"description": "Pro-apoptotic mitochondrial protein from +1 ORF of PB1",
|
|
42
|
+
"scan_frame": 1,
|
|
43
|
+
"min_length_aa": 50,
|
|
44
|
+
},
|
|
45
|
+
],
|
|
46
|
+
"PA": [
|
|
47
|
+
{
|
|
48
|
+
"name": "PA",
|
|
49
|
+
"mechanism": "direct",
|
|
50
|
+
"description": "RNA-dependent RNA polymerase subunit PA",
|
|
51
|
+
},
|
|
52
|
+
{
|
|
53
|
+
"name": "PA-X",
|
|
54
|
+
"mechanism": "frameshift",
|
|
55
|
+
"description": "Host shutoff protein via +1 ribosomal frameshift of PA",
|
|
56
|
+
"frameshift_nt": 573, # 191 codons * 3
|
|
57
|
+
"shift": 1,
|
|
58
|
+
"x_orf_length_aa": 61,
|
|
59
|
+
},
|
|
60
|
+
],
|
|
61
|
+
"HA": [
|
|
62
|
+
{
|
|
63
|
+
"name": "HA",
|
|
64
|
+
"mechanism": "direct",
|
|
65
|
+
"description": "Hemagglutinin",
|
|
66
|
+
},
|
|
67
|
+
],
|
|
68
|
+
"NP": [
|
|
69
|
+
{
|
|
70
|
+
"name": "NP",
|
|
71
|
+
"mechanism": "direct",
|
|
72
|
+
"description": "Nucleoprotein",
|
|
73
|
+
},
|
|
74
|
+
],
|
|
75
|
+
"NA": [
|
|
76
|
+
{
|
|
77
|
+
"name": "NA",
|
|
78
|
+
"mechanism": "direct",
|
|
79
|
+
"description": "Neuraminidase",
|
|
80
|
+
},
|
|
81
|
+
],
|
|
82
|
+
"MP": [
|
|
83
|
+
{
|
|
84
|
+
"name": "M1",
|
|
85
|
+
"mechanism": "direct",
|
|
86
|
+
"description": "Matrix protein 1 (unspliced colinear transcript)",
|
|
87
|
+
},
|
|
88
|
+
{
|
|
89
|
+
"name": "M2",
|
|
90
|
+
"mechanism": "splicing",
|
|
91
|
+
"description": "Ion channel protein (spliced from MP segment)",
|
|
92
|
+
"exon1_end": 51,
|
|
93
|
+
"exon2_start": 740,
|
|
94
|
+
},
|
|
95
|
+
],
|
|
96
|
+
"NS": [
|
|
97
|
+
{
|
|
98
|
+
"name": "NS1",
|
|
99
|
+
"mechanism": "direct",
|
|
100
|
+
"description": "Non-structural protein 1 (unspliced colinear transcript)",
|
|
101
|
+
},
|
|
102
|
+
{
|
|
103
|
+
"name": "NEP",
|
|
104
|
+
"mechanism": "splicing",
|
|
105
|
+
"description": "Nuclear export protein / NS2 (spliced from NS segment)",
|
|
106
|
+
"exon1_end": 56,
|
|
107
|
+
"exon2_start": 529,
|
|
108
|
+
},
|
|
109
|
+
],
|
|
110
|
+
}
|
|
@@ -0,0 +1,26 @@
|
|
|
1
|
+
"""Human-readable display helpers."""
|
|
2
|
+
|
|
3
|
+
from __future__ import annotations
|
|
4
|
+
|
|
5
|
+
from flua.models import SequenceGroup
|
|
6
|
+
|
|
7
|
+
|
|
8
|
+
def print_group_summary(group: SequenceGroup) -> None:
|
|
9
|
+
"""Print a concise summary of a :class:`SequenceGroup` to stdout."""
|
|
10
|
+
print(f"=== {group.group_name} (from: {group.source_file}) ===")
|
|
11
|
+
print(f" Subtype: {group.subtype or '(not detected)'}")
|
|
12
|
+
print(f" Total sequences: {len(group.sequences)}")
|
|
13
|
+
for seq in group.sequences:
|
|
14
|
+
seg_label = seq.segment_name or "(unknown)"
|
|
15
|
+
trans_len = len(seq.translated) if seq.translated else "-"
|
|
16
|
+
print(
|
|
17
|
+
f" [{seg_label}] {seq.id} | "
|
|
18
|
+
f"type={seq.seq_type} | "
|
|
19
|
+
f"length={seq.length} | "
|
|
20
|
+
f"translated_length={trans_len}"
|
|
21
|
+
)
|
|
22
|
+
for p in seq.alt_products:
|
|
23
|
+
print(
|
|
24
|
+
f" └─ {p.name} ({p.mechanism}): {p.length_aa} aa | {p.description}"
|
|
25
|
+
)
|
|
26
|
+
print()
|
|
@@ -0,0 +1,187 @@
|
|
|
1
|
+
"""FASTA file I/O and DataFrame conversion."""
|
|
2
|
+
|
|
3
|
+
from __future__ import annotations
|
|
4
|
+
|
|
5
|
+
import warnings
|
|
6
|
+
from collections import Counter
|
|
7
|
+
from pathlib import Path
|
|
8
|
+
from typing import Literal
|
|
9
|
+
|
|
10
|
+
import pandas as pd
|
|
11
|
+
from Bio import SeqIO
|
|
12
|
+
|
|
13
|
+
from flua.constants import INFLUENZA_SEGMENTS
|
|
14
|
+
from flua.models import AnalyzedSequence, SequenceGroup
|
|
15
|
+
from flua.products import generate_alternative_products
|
|
16
|
+
from flua.seq_utils import (
|
|
17
|
+
detect_sequence_type,
|
|
18
|
+
extract_subtype,
|
|
19
|
+
identify_segment,
|
|
20
|
+
translate_sequence,
|
|
21
|
+
)
|
|
22
|
+
|
|
23
|
+
# ── Loading ──────────────────────────────────────────────────────────────
|
|
24
|
+
|
|
25
|
+
|
|
26
|
+
def load_fasta(
|
|
27
|
+
filepath: str | Path,
|
|
28
|
+
segment_names: list[str] | None = None,
|
|
29
|
+
group_name: str | None = None,
|
|
30
|
+
) -> SequenceGroup:
|
|
31
|
+
"""Read a single FASTA file and return a :class:`SequenceGroup`."""
|
|
32
|
+
filepath = Path(filepath)
|
|
33
|
+
if group_name is None:
|
|
34
|
+
group_name = filepath.stem
|
|
35
|
+
|
|
36
|
+
group = SequenceGroup(group_name=group_name, source_file=str(filepath))
|
|
37
|
+
detected_subtypes: list[str] = []
|
|
38
|
+
|
|
39
|
+
for record in SeqIO.parse(str(filepath), "fasta"):
|
|
40
|
+
seq_str = str(record.seq)
|
|
41
|
+
seq_type = detect_sequence_type(seq_str)
|
|
42
|
+
translated = translate_sequence(seq_str, seq_type)
|
|
43
|
+
segment = identify_segment(record.id, record.description, segment_names)
|
|
44
|
+
|
|
45
|
+
subtype = extract_subtype(record.id, record.description)
|
|
46
|
+
if subtype:
|
|
47
|
+
detected_subtypes.append(subtype)
|
|
48
|
+
|
|
49
|
+
alt_products: list = []
|
|
50
|
+
if seq_type != "Protein" and segment is not None:
|
|
51
|
+
alt_products = generate_alternative_products(seq_str, segment)
|
|
52
|
+
|
|
53
|
+
analyzed = AnalyzedSequence(
|
|
54
|
+
record=record,
|
|
55
|
+
seq_type=seq_type,
|
|
56
|
+
translated=translated,
|
|
57
|
+
segment_name=segment,
|
|
58
|
+
alt_products=alt_products,
|
|
59
|
+
)
|
|
60
|
+
group.sequences.append(analyzed)
|
|
61
|
+
|
|
62
|
+
# Assign the most frequently detected subtype to the group.
|
|
63
|
+
if detected_subtypes:
|
|
64
|
+
group.subtype = Counter(detected_subtypes).most_common(1)[0][0]
|
|
65
|
+
|
|
66
|
+
return group
|
|
67
|
+
|
|
68
|
+
|
|
69
|
+
def load_multiple_fasta(
|
|
70
|
+
filepaths: list[str | Path],
|
|
71
|
+
segment_names: list[str] | None = None,
|
|
72
|
+
) -> list[SequenceGroup]:
|
|
73
|
+
"""Read multiple FASTA files and return a list of
|
|
74
|
+
:class:`SequenceGroup` objects."""
|
|
75
|
+
return [load_fasta(fp, segment_names=segment_names) for fp in filepaths]
|
|
76
|
+
|
|
77
|
+
|
|
78
|
+
# ── DataFrame conversion ─────────────────────────────────────────────────
|
|
79
|
+
|
|
80
|
+
|
|
81
|
+
def groups_to_dataframe(
|
|
82
|
+
groups: list[SequenceGroup],
|
|
83
|
+
value_type: Literal["raw", "translated"] = "raw",
|
|
84
|
+
segment_names: list[str] | None = None,
|
|
85
|
+
include_alt_products: bool = True,
|
|
86
|
+
) -> pd.DataFrame:
|
|
87
|
+
"""Convert a list of :class:`SequenceGroup` objects into a
|
|
88
|
+
:class:`~pandas.DataFrame`.
|
|
89
|
+
|
|
90
|
+
Parameters
|
|
91
|
+
----------
|
|
92
|
+
groups:
|
|
93
|
+
Sequence groups to convert.
|
|
94
|
+
value_type:
|
|
95
|
+
``"raw"`` for nucleotide sequences, ``"translated"`` for amino
|
|
96
|
+
acid sequences.
|
|
97
|
+
segment_names:
|
|
98
|
+
Segment names to include as columns. Defaults to
|
|
99
|
+
:data:`~flua.constants.INFLUENZA_SEGMENTS`.
|
|
100
|
+
include_alt_products:
|
|
101
|
+
If ``True``, add columns for each alternative product.
|
|
102
|
+
"""
|
|
103
|
+
if segment_names is None:
|
|
104
|
+
segment_names = INFLUENZA_SEGMENTS
|
|
105
|
+
|
|
106
|
+
# Collect alternative product names across all groups.
|
|
107
|
+
all_product_names: dict[str, set[str]] = {}
|
|
108
|
+
if include_alt_products:
|
|
109
|
+
for group in groups:
|
|
110
|
+
for seq in group.sequences:
|
|
111
|
+
if seq.segment_name:
|
|
112
|
+
if seq.segment_name not in all_product_names:
|
|
113
|
+
all_product_names[seq.segment_name] = set()
|
|
114
|
+
for p in seq.alt_products:
|
|
115
|
+
all_product_names[seq.segment_name].add(p.name)
|
|
116
|
+
|
|
117
|
+
rows = []
|
|
118
|
+
for group in groups:
|
|
119
|
+
row: dict = {
|
|
120
|
+
"group_name": group.group_name,
|
|
121
|
+
"source_file": group.source_file,
|
|
122
|
+
"subtype": group.subtype,
|
|
123
|
+
"num_sequences": len(group.sequences),
|
|
124
|
+
}
|
|
125
|
+
|
|
126
|
+
for seg_name in segment_names:
|
|
127
|
+
seq_obj = group.get_segment(seg_name)
|
|
128
|
+
|
|
129
|
+
if seq_obj is None:
|
|
130
|
+
row[f"{seg_name}_seq"] = None
|
|
131
|
+
row[f"{seg_name}_length"] = None
|
|
132
|
+
row[f"{seg_name}_type"] = None
|
|
133
|
+
else:
|
|
134
|
+
if value_type == "translated" and seq_obj.translated is not None:
|
|
135
|
+
row[f"{seg_name}_seq"] = seq_obj.translated
|
|
136
|
+
row[f"{seg_name}_length"] = len(seq_obj.translated)
|
|
137
|
+
else:
|
|
138
|
+
row[f"{seg_name}_seq"] = seq_obj.raw_sequence
|
|
139
|
+
row[f"{seg_name}_length"] = seq_obj.length
|
|
140
|
+
row[f"{seg_name}_type"] = seq_obj.seq_type
|
|
141
|
+
|
|
142
|
+
if include_alt_products and seg_name in all_product_names:
|
|
143
|
+
for prod_name in sorted(all_product_names[seg_name]):
|
|
144
|
+
col_key = f"{prod_name}_protein"
|
|
145
|
+
col_len_key = f"{prod_name}_length_aa"
|
|
146
|
+
if seq_obj is not None:
|
|
147
|
+
product = seq_obj.get_product(prod_name)
|
|
148
|
+
if product is not None:
|
|
149
|
+
row[col_key] = product.protein_seq
|
|
150
|
+
row[col_len_key] = product.length_aa
|
|
151
|
+
else:
|
|
152
|
+
row[col_key] = None
|
|
153
|
+
row[col_len_key] = None
|
|
154
|
+
else:
|
|
155
|
+
row[col_key] = None
|
|
156
|
+
row[col_len_key] = None
|
|
157
|
+
|
|
158
|
+
rows.append(row)
|
|
159
|
+
|
|
160
|
+
df = pd.DataFrame(rows)
|
|
161
|
+
_check_length_consistency(df, segment_names)
|
|
162
|
+
return df
|
|
163
|
+
|
|
164
|
+
|
|
165
|
+
def _check_length_consistency(df: pd.DataFrame, segment_names: list[str]) -> None:
|
|
166
|
+
"""Emit a warning when sequence lengths for the same segment differ
|
|
167
|
+
across samples."""
|
|
168
|
+
if len(df) < 2:
|
|
169
|
+
return
|
|
170
|
+
for seg_name in segment_names:
|
|
171
|
+
length_col = f"{seg_name}_length"
|
|
172
|
+
if length_col not in df.columns:
|
|
173
|
+
continue
|
|
174
|
+
lengths = df[length_col].dropna()
|
|
175
|
+
if len(lengths) < 2:
|
|
176
|
+
continue
|
|
177
|
+
if len(lengths.unique()) > 1:
|
|
178
|
+
info = ", ".join(
|
|
179
|
+
f"{r['group_name']}={r[length_col]}"
|
|
180
|
+
for _, r in df.iterrows()
|
|
181
|
+
if pd.notna(r[length_col])
|
|
182
|
+
)
|
|
183
|
+
warnings.warn(
|
|
184
|
+
f"[{seg_name}] Sequence lengths differ across samples: {info}",
|
|
185
|
+
UserWarning,
|
|
186
|
+
stacklevel=3,
|
|
187
|
+
)
|
|
@@ -0,0 +1,74 @@
|
|
|
1
|
+
"""Core data models for analyzed sequences and sequence groups."""
|
|
2
|
+
|
|
3
|
+
from __future__ import annotations
|
|
4
|
+
|
|
5
|
+
from dataclasses import dataclass, field
|
|
6
|
+
|
|
7
|
+
from Bio.SeqRecord import SeqRecord
|
|
8
|
+
|
|
9
|
+
from flua.products import AlternativeProduct
|
|
10
|
+
|
|
11
|
+
|
|
12
|
+
@dataclass
|
|
13
|
+
class AnalyzedSequence:
|
|
14
|
+
"""A single analyzed sequence (typically one influenza segment)."""
|
|
15
|
+
|
|
16
|
+
record: SeqRecord
|
|
17
|
+
seq_type: str
|
|
18
|
+
translated: str | None
|
|
19
|
+
segment_name: str | None
|
|
20
|
+
alt_products: list[AlternativeProduct] = field(default_factory=list)
|
|
21
|
+
length: int = 0
|
|
22
|
+
|
|
23
|
+
def __post_init__(self) -> None:
|
|
24
|
+
self.length = len(self.record.seq)
|
|
25
|
+
|
|
26
|
+
@property
|
|
27
|
+
def id(self) -> str:
|
|
28
|
+
return self.record.id
|
|
29
|
+
|
|
30
|
+
@property
|
|
31
|
+
def description(self) -> str:
|
|
32
|
+
return self.record.description
|
|
33
|
+
|
|
34
|
+
@property
|
|
35
|
+
def raw_sequence(self) -> str:
|
|
36
|
+
return str(self.record.seq)
|
|
37
|
+
|
|
38
|
+
def get_product(self, name: str) -> AlternativeProduct | None:
|
|
39
|
+
"""Look up an alternative product by *name* (case-insensitive)."""
|
|
40
|
+
for p in self.alt_products:
|
|
41
|
+
if p.name.upper() == name.upper():
|
|
42
|
+
return p
|
|
43
|
+
return None
|
|
44
|
+
|
|
45
|
+
|
|
46
|
+
@dataclass
|
|
47
|
+
class SequenceGroup:
|
|
48
|
+
"""A collection of sequences originating from a single FASTA file."""
|
|
49
|
+
|
|
50
|
+
group_name: str
|
|
51
|
+
source_file: str
|
|
52
|
+
subtype: str | None = None
|
|
53
|
+
sequences: list[AnalyzedSequence] = field(default_factory=list)
|
|
54
|
+
|
|
55
|
+
@property
|
|
56
|
+
def segment_names(self) -> list[str | None]:
|
|
57
|
+
return [s.segment_name for s in self.sequences]
|
|
58
|
+
|
|
59
|
+
def get_segment(self, name: str) -> AnalyzedSequence | None:
|
|
60
|
+
"""Return the sequence whose segment name matches *name*
|
|
61
|
+
(case-insensitive)."""
|
|
62
|
+
for seq in self.sequences:
|
|
63
|
+
if seq.segment_name and seq.segment_name.upper() == name.upper():
|
|
64
|
+
return seq
|
|
65
|
+
return None
|
|
66
|
+
|
|
67
|
+
def get_all_products(self) -> list[tuple[str | None, AlternativeProduct]]:
|
|
68
|
+
"""Return ``(segment_name, product)`` pairs for every alternative
|
|
69
|
+
product across all sequences in the group."""
|
|
70
|
+
results = []
|
|
71
|
+
for seq in self.sequences:
|
|
72
|
+
for p in seq.alt_products:
|
|
73
|
+
results.append((seq.segment_name, p))
|
|
74
|
+
return results
|
|
@@ -0,0 +1,166 @@
|
|
|
1
|
+
"""Generation of influenza A alternative protein products.
|
|
2
|
+
|
|
3
|
+
Supports four mechanisms: direct translation, mRNA splicing, alternative
|
|
4
|
+
ORF scanning, and ribosomal frameshifting.
|
|
5
|
+
"""
|
|
6
|
+
|
|
7
|
+
from __future__ import annotations
|
|
8
|
+
|
|
9
|
+
from dataclasses import dataclass
|
|
10
|
+
|
|
11
|
+
from flua.constants import ALTERNATIVE_PRODUCTS
|
|
12
|
+
from flua.seq_utils import translate_frame1
|
|
13
|
+
|
|
14
|
+
|
|
15
|
+
@dataclass
|
|
16
|
+
class AlternativeProduct:
|
|
17
|
+
"""A single alternative protein product derived from an influenza
|
|
18
|
+
segment."""
|
|
19
|
+
|
|
20
|
+
name: str
|
|
21
|
+
mechanism: str
|
|
22
|
+
description: str
|
|
23
|
+
nucleotide_seq: str
|
|
24
|
+
protein_seq: str
|
|
25
|
+
length_nt: int = 0
|
|
26
|
+
length_aa: int = 0
|
|
27
|
+
|
|
28
|
+
def __post_init__(self) -> None:
|
|
29
|
+
self.length_nt = len(self.nucleotide_seq)
|
|
30
|
+
self.length_aa = len(self.protein_seq)
|
|
31
|
+
|
|
32
|
+
|
|
33
|
+
# ── Per-mechanism generators ─────────────────────────────────────────────
|
|
34
|
+
|
|
35
|
+
|
|
36
|
+
def _generate_direct(seq: str, pdef: dict) -> AlternativeProduct | None:
|
|
37
|
+
"""Primary protein: full-length frame-1 translation."""
|
|
38
|
+
protein = translate_frame1(seq)
|
|
39
|
+
return AlternativeProduct(
|
|
40
|
+
name=pdef["name"],
|
|
41
|
+
mechanism="direct",
|
|
42
|
+
description=pdef["description"],
|
|
43
|
+
nucleotide_seq=seq,
|
|
44
|
+
protein_seq=protein,
|
|
45
|
+
)
|
|
46
|
+
|
|
47
|
+
|
|
48
|
+
def _generate_spliced(seq: str, pdef: dict) -> AlternativeProduct | None:
|
|
49
|
+
"""Spliced product: join exon 1 + exon 2 then translate."""
|
|
50
|
+
exon1_end = pdef["exon1_end"]
|
|
51
|
+
exon2_start = pdef["exon2_start"]
|
|
52
|
+
|
|
53
|
+
if len(seq) < exon2_start:
|
|
54
|
+
return None
|
|
55
|
+
|
|
56
|
+
spliced_nt = seq[:exon1_end] + seq[exon2_start:]
|
|
57
|
+
protein = translate_frame1(spliced_nt)
|
|
58
|
+
|
|
59
|
+
return AlternativeProduct(
|
|
60
|
+
name=pdef["name"],
|
|
61
|
+
mechanism="splicing",
|
|
62
|
+
description=pdef["description"],
|
|
63
|
+
nucleotide_seq=spliced_nt,
|
|
64
|
+
protein_seq=protein,
|
|
65
|
+
)
|
|
66
|
+
|
|
67
|
+
|
|
68
|
+
def _generate_alt_orf(seq: str, pdef: dict) -> AlternativeProduct | None:
|
|
69
|
+
"""Alternative ORF: scan *scan_frame* for the first ATG and translate
|
|
70
|
+
to the first stop codon."""
|
|
71
|
+
scan_frame = pdef.get("scan_frame", 1)
|
|
72
|
+
min_length_aa = pdef.get("min_length_aa", 50)
|
|
73
|
+
|
|
74
|
+
for i in range(scan_frame, len(seq) - 2, 3):
|
|
75
|
+
codon = seq[i : i + 3].upper().replace("U", "T")
|
|
76
|
+
if codon == "ATG":
|
|
77
|
+
orf_seq = seq[i:]
|
|
78
|
+
protein = translate_frame1(orf_seq)
|
|
79
|
+
if "*" in protein:
|
|
80
|
+
protein = protein[: protein.index("*")]
|
|
81
|
+
if len(protein) >= min_length_aa:
|
|
82
|
+
orf_nt = seq[i : i + (len(protein) + 1) * 3]
|
|
83
|
+
return AlternativeProduct(
|
|
84
|
+
name=pdef["name"],
|
|
85
|
+
mechanism="alt_orf",
|
|
86
|
+
description=pdef["description"],
|
|
87
|
+
nucleotide_seq=orf_nt,
|
|
88
|
+
protein_seq=protein,
|
|
89
|
+
)
|
|
90
|
+
return None
|
|
91
|
+
|
|
92
|
+
|
|
93
|
+
def _generate_frameshift(seq: str, pdef: dict) -> AlternativeProduct | None:
|
|
94
|
+
"""Ribosomal frameshift: N-terminal domain (frame 0) fused with
|
|
95
|
+
C-terminal domain (+*shift* frame)."""
|
|
96
|
+
fs_nt = pdef["frameshift_nt"]
|
|
97
|
+
shift = pdef.get("shift", 1)
|
|
98
|
+
x_orf_aa_len = pdef.get("x_orf_length_aa", 61)
|
|
99
|
+
|
|
100
|
+
if len(seq) < fs_nt + 10:
|
|
101
|
+
return None
|
|
102
|
+
|
|
103
|
+
n_term_protein = translate_frame1(seq[:fs_nt])
|
|
104
|
+
|
|
105
|
+
c_term_start = fs_nt + shift
|
|
106
|
+
c_term_full = translate_frame1(seq[c_term_start:])
|
|
107
|
+
if "*" in c_term_full:
|
|
108
|
+
c_term_full = c_term_full[: c_term_full.index("*")]
|
|
109
|
+
c_term_protein = c_term_full[:x_orf_aa_len]
|
|
110
|
+
|
|
111
|
+
fusion_protein = n_term_protein + c_term_protein
|
|
112
|
+
fusion_nt = seq[: c_term_start + len(c_term_protein) * 3]
|
|
113
|
+
|
|
114
|
+
return AlternativeProduct(
|
|
115
|
+
name=pdef["name"],
|
|
116
|
+
mechanism="frameshift",
|
|
117
|
+
description=pdef["description"],
|
|
118
|
+
nucleotide_seq=fusion_nt,
|
|
119
|
+
protein_seq=fusion_protein,
|
|
120
|
+
)
|
|
121
|
+
|
|
122
|
+
|
|
123
|
+
_GENERATORS = {
|
|
124
|
+
"direct": _generate_direct,
|
|
125
|
+
"splicing": _generate_spliced,
|
|
126
|
+
"alt_orf": _generate_alt_orf,
|
|
127
|
+
"frameshift": _generate_frameshift,
|
|
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|
+
}
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|
+
|
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130
|
+
|
|
131
|
+
# ── Public API ───────────────────────────────────────────────────────────
|
|
132
|
+
|
|
133
|
+
|
|
134
|
+
def generate_alternative_products(
|
|
135
|
+
sequence: str,
|
|
136
|
+
segment_name: str,
|
|
137
|
+
product_defs: dict[str, list[dict]] | None = None,
|
|
138
|
+
) -> list[AlternativeProduct]:
|
|
139
|
+
"""Generate all alternative products for a given segment sequence.
|
|
140
|
+
|
|
141
|
+
Parameters
|
|
142
|
+
----------
|
|
143
|
+
sequence:
|
|
144
|
+
The nucleotide sequence of the segment.
|
|
145
|
+
segment_name:
|
|
146
|
+
One of the standard influenza A segment names (e.g. ``"PA"``).
|
|
147
|
+
product_defs:
|
|
148
|
+
Custom product definition table. Defaults to
|
|
149
|
+
:data:`~flua.constants.ALTERNATIVE_PRODUCTS`.
|
|
150
|
+
"""
|
|
151
|
+
if product_defs is None:
|
|
152
|
+
product_defs = ALTERNATIVE_PRODUCTS
|
|
153
|
+
|
|
154
|
+
defs = product_defs.get(segment_name, [])
|
|
155
|
+
if not defs:
|
|
156
|
+
defs = [{"name": segment_name, "mechanism": "direct", "description": ""}]
|
|
157
|
+
|
|
158
|
+
products = []
|
|
159
|
+
for pdef in defs:
|
|
160
|
+
generator = _GENERATORS.get(pdef["mechanism"])
|
|
161
|
+
if generator is None:
|
|
162
|
+
continue
|
|
163
|
+
product = generator(sequence, pdef)
|
|
164
|
+
if product is not None:
|
|
165
|
+
products.append(product)
|
|
166
|
+
return products
|
|
@@ -0,0 +1,140 @@
|
|
|
1
|
+
"""Low-level sequence utilities: type detection, translation, subtype
|
|
2
|
+
extraction, and segment identification."""
|
|
3
|
+
|
|
4
|
+
from __future__ import annotations
|
|
5
|
+
|
|
6
|
+
import re
|
|
7
|
+
from typing import Literal
|
|
8
|
+
|
|
9
|
+
from Bio.Seq import Seq
|
|
10
|
+
|
|
11
|
+
from flua.constants import INFLUENZA_SEGMENTS, PROTEIN_ONLY_CHARS
|
|
12
|
+
|
|
13
|
+
# ── Sequence type detection ──────────────────────────────────────────────
|
|
14
|
+
|
|
15
|
+
|
|
16
|
+
def detect_sequence_type(sequence: str) -> Literal["DNA", "RNA", "Protein"]:
|
|
17
|
+
"""Classify *sequence* as DNA, RNA, or Protein based on its character
|
|
18
|
+
composition."""
|
|
19
|
+
seq_upper = sequence.upper().replace("-", "").replace(".", "")
|
|
20
|
+
unique_chars = set(seq_upper)
|
|
21
|
+
|
|
22
|
+
if unique_chars & PROTEIN_ONLY_CHARS:
|
|
23
|
+
return "Protein"
|
|
24
|
+
if "U" in unique_chars and "T" not in unique_chars:
|
|
25
|
+
return "RNA"
|
|
26
|
+
return "DNA"
|
|
27
|
+
|
|
28
|
+
|
|
29
|
+
# ── Translation ──────────────────────────────────────────────────────────
|
|
30
|
+
|
|
31
|
+
|
|
32
|
+
def translate_frame1(sequence: str) -> str:
|
|
33
|
+
"""Translate *sequence* in reading frame 1 (offset 0).
|
|
34
|
+
|
|
35
|
+
Trailing nucleotides that do not form a complete codon are discarded.
|
|
36
|
+
"""
|
|
37
|
+
seq_obj = Seq(sequence)
|
|
38
|
+
trimmed = seq_obj[: len(seq_obj) - len(seq_obj) % 3]
|
|
39
|
+
if len(trimmed) == 0:
|
|
40
|
+
return ""
|
|
41
|
+
return str(trimmed.translate())
|
|
42
|
+
|
|
43
|
+
|
|
44
|
+
def translate_sequence(sequence: str, seq_type: str) -> str | None:
|
|
45
|
+
"""Return the frame-1 translation of *sequence*, or ``None`` if it is
|
|
46
|
+
already a protein."""
|
|
47
|
+
if seq_type == "Protein":
|
|
48
|
+
return None
|
|
49
|
+
return translate_frame1(sequence)
|
|
50
|
+
|
|
51
|
+
|
|
52
|
+
# ── Subtype extraction ───────────────────────────────────────────────────
|
|
53
|
+
|
|
54
|
+
# H<digits>N<digits> with optional parentheses and pdm suffix.
|
|
55
|
+
_SUBTYPE_PATTERN = re.compile(
|
|
56
|
+
r"[\(\[\s|_/]?"
|
|
57
|
+
r"(H\d{1,2}N\d{1,2})"
|
|
58
|
+
r"[\)\]\s|_/]?"
|
|
59
|
+
r"(pdm\d{0,4})?"
|
|
60
|
+
r"[\)\]\s|_/]?",
|
|
61
|
+
re.IGNORECASE,
|
|
62
|
+
)
|
|
63
|
+
|
|
64
|
+
# Separate H and N tokens (e.g. "H5 subtype N6").
|
|
65
|
+
_H_PATTERN = re.compile(r"(?<![A-Z0-9])(H\d{1,2})(?![A-Z0-9])", re.IGNORECASE)
|
|
66
|
+
_N_PATTERN = re.compile(r"(?<![A-Z0-9])(N\d{1,2})(?![A-Z0-9])", re.IGNORECASE)
|
|
67
|
+
|
|
68
|
+
|
|
69
|
+
def extract_subtype(header_id: str, description: str) -> str | None:
|
|
70
|
+
"""Extract an influenza subtype string from a FASTA header.
|
|
71
|
+
|
|
72
|
+
Supported formats include ``A/California/07/2009(H1N1)``,
|
|
73
|
+
``H5N1``, ``H1N1pdm09``, ``H3N2|segment 3``, and split
|
|
74
|
+
H/N notation such as ``"H5 subtype N6"``.
|
|
75
|
+
|
|
76
|
+
Returns
|
|
77
|
+
-------
|
|
78
|
+
str | None
|
|
79
|
+
The extracted subtype (e.g. ``"H1N1"``, ``"H5N1pdm09"``), or
|
|
80
|
+
``None`` when no subtype is found.
|
|
81
|
+
"""
|
|
82
|
+
combined = f"{header_id} {description}"
|
|
83
|
+
|
|
84
|
+
match = _SUBTYPE_PATTERN.search(combined)
|
|
85
|
+
if match:
|
|
86
|
+
subtype = match.group(1).upper()
|
|
87
|
+
pdm_suffix = match.group(2)
|
|
88
|
+
if pdm_suffix:
|
|
89
|
+
subtype += pdm_suffix.lower()
|
|
90
|
+
return subtype
|
|
91
|
+
|
|
92
|
+
h_match = _H_PATTERN.search(combined)
|
|
93
|
+
n_match = _N_PATTERN.search(combined)
|
|
94
|
+
if h_match and n_match:
|
|
95
|
+
return h_match.group(1).upper() + n_match.group(1).upper()
|
|
96
|
+
|
|
97
|
+
return None
|
|
98
|
+
|
|
99
|
+
|
|
100
|
+
# ── Segment identification ───────────────────────────────────────────────
|
|
101
|
+
|
|
102
|
+
|
|
103
|
+
def _build_segment_patterns(
|
|
104
|
+
segment_names: list[str],
|
|
105
|
+
) -> list[tuple[str, re.Pattern]]:
|
|
106
|
+
"""Build compiled regex patterns for each segment name.
|
|
107
|
+
|
|
108
|
+
Longer names are matched first so that e.g. ``"PB1-F2"`` takes
|
|
109
|
+
priority over ``"PB1"``. Word boundaries are defined by characters
|
|
110
|
+
that are *not* alphanumeric or hyphens, preventing ``"PA"`` from
|
|
111
|
+
matching inside ``"PA-X"``.
|
|
112
|
+
"""
|
|
113
|
+
sorted_names = sorted(segment_names, key=len, reverse=True)
|
|
114
|
+
patterns = []
|
|
115
|
+
for name in sorted_names:
|
|
116
|
+
escaped = re.escape(name.upper())
|
|
117
|
+
pattern = re.compile(
|
|
118
|
+
r"(?<![A-Z0-9\-])" + escaped + r"(?![A-Z0-9\-])",
|
|
119
|
+
re.IGNORECASE,
|
|
120
|
+
)
|
|
121
|
+
patterns.append((name, pattern))
|
|
122
|
+
return patterns
|
|
123
|
+
|
|
124
|
+
|
|
125
|
+
def identify_segment(
|
|
126
|
+
header_id: str,
|
|
127
|
+
description: str,
|
|
128
|
+
segment_names: list[str] | None = None,
|
|
129
|
+
) -> str | None:
|
|
130
|
+
"""Identify the influenza segment name from a FASTA header."""
|
|
131
|
+
if segment_names is None:
|
|
132
|
+
segment_names = INFLUENZA_SEGMENTS
|
|
133
|
+
|
|
134
|
+
combined = f"{header_id} {description}"
|
|
135
|
+
patterns = _build_segment_patterns(segment_names)
|
|
136
|
+
|
|
137
|
+
for name, pattern in patterns:
|
|
138
|
+
if pattern.search(combined):
|
|
139
|
+
return name
|
|
140
|
+
return None
|