docs(plan): add Day-4 API/MLOps/frontend implementation plan
Browse files11-task plan covering core helper extraction (determinism.py,
storage.py, tracking.py), MLflow integration, FastAPI surface,
Docker compose orchestration, and Streamlit B2B dashboard.
Target: ~136 tests green at completion.
Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
docs/superpowers/plans/2026-05-02-day4-api-mlops-frontend.md
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|
| 1 |
+
# Day 4 — API, Orchestration & Frontend Implementation Plan
|
| 2 |
+
|
| 3 |
+
> **For agentic workers:** REQUIRED SUB-SKILL: Use `superpowers:subagent-driven-development` (recommended) or `superpowers:executing-plans` to implement this plan task-by-task. Steps use checkbox (`- [ ]`) syntax for tracking.
|
| 4 |
+
|
| 5 |
+
**Goal:** Wrap the three Day-1/2/3 pipelines (BBB, EEG, MRI) in a productionized, demo-ready stack: shared core utilities, MLflow tracking, FastAPI surface, Docker compose orchestration, and a Streamlit B2B dashboard — without breaking the 106 existing green tests.
|
| 6 |
+
|
| 7 |
+
**Architecture:** Three concentric rings around the pipelines. Inner ring (`src/core/`) deduplicates threading-determinism + Parquet write + MLflow tracking helpers used by all three pipelines. Middle ring (`src/api/`) exposes each pipeline as a FastAPI POST endpoint with shared Pydantic request/response schemas. Outer ring (`src/frontend/`) is a Streamlit dashboard that calls the FastAPI surface (NOT the pipeline modules) and surfaces MLflow run links. `Dockerfile` + `docker-compose.yml` boot FastAPI + an MLflow tracking server side-by-side.
|
| 8 |
+
|
| 9 |
+
**Tech Stack:** FastAPI 0.115, Pydantic 2.9, MLflow 2.16, Streamlit (new dependency, pinned in this plan), Docker Compose v2. All existing pins (numpy/pandas/scipy/scikit-learn/rdkit/mne/nibabel/neuroharmonize/pyarrow) untouched.
|
| 10 |
+
|
| 11 |
+
---
|
| 12 |
+
|
| 13 |
+
## File Structure
|
| 14 |
+
|
| 15 |
+
```
|
| 16 |
+
src/
|
| 17 |
+
├── core/
|
| 18 |
+
│ ├── logger.py # (existing)
|
| 19 |
+
│ ├── determinism.py # NEW — Task 1: pin_threads()
|
| 20 |
+
│ ├── storage.py # NEW — Task 2: write_parquet()
|
| 21 |
+
│ └── tracking.py # NEW — Task 5: track_pipeline_run()
|
| 22 |
+
├── pipelines/
|
| 23 |
+
│ ├── bbb_pipeline.py # MODIFY (Tasks 3, 6)
|
| 24 |
+
│ ├── eeg_pipeline.py # MODIFY (Tasks 3, 6)
|
| 25 |
+
│ └── mri_pipeline.py # MODIFY (Tasks 3, 6)
|
| 26 |
+
├── api/
|
| 27 |
+
│ ├── __init__.py # (existing, empty)
|
| 28 |
+
│ ├── schemas.py # NEW — Task 7
|
| 29 |
+
│ ├── routes.py # NEW — Task 8
|
| 30 |
+
│ └── main.py # NEW — Task 7
|
| 31 |
+
└── frontend/
|
| 32 |
+
├── __init__.py # NEW — Task 10
|
| 33 |
+
└── app.py # NEW — Task 10
|
| 34 |
+
|
| 35 |
+
tests/
|
| 36 |
+
├── core/
|
| 37 |
+
│ ├── test_logger.py # (existing)
|
| 38 |
+
│ ├── test_determinism.py # NEW — Task 1
|
| 39 |
+
│ ├── test_storage.py # NEW — Task 2
|
| 40 |
+
│ └── test_tracking.py # NEW — Task 5
|
| 41 |
+
├── pipelines/
|
| 42 |
+
│ ├── test_bbb_pipeline.py # (existing)
|
| 43 |
+
│ ├── test_eeg_pipeline.py # (existing)
|
| 44 |
+
│ ├── test_mri_pipeline.py # (existing)
|
| 45 |
+
│ └── test_cross_pipeline_smoke.py # NEW — Task 4
|
| 46 |
+
├── api/
|
| 47 |
+
│ ├── __init__.py # NEW — Task 7
|
| 48 |
+
│ ├── test_main.py # NEW — Task 7
|
| 49 |
+
│ └── test_routes.py # NEW — Task 8
|
| 50 |
+
└── frontend/
|
| 51 |
+
├── __init__.py # NEW — Task 10
|
| 52 |
+
└── test_app_import.py # NEW — Task 10
|
| 53 |
+
|
| 54 |
+
Dockerfile # NEW — Task 9
|
| 55 |
+
docker-compose.yml # NEW — Task 9
|
| 56 |
+
.dockerignore # NEW — Task 9
|
| 57 |
+
requirements.txt # MODIFY (Task 10: add streamlit)
|
| 58 |
+
AGENTS.md # MODIFY (Task 11: §2 layout, §6 add tracking note)
|
| 59 |
+
README.md # MODIFY (Task 11)
|
| 60 |
+
```
|
| 61 |
+
|
| 62 |
+
**Test count target:** 106 (existing) + ~30 (new) = **~136 tests green at end of Day 4**.
|
| 63 |
+
|
| 64 |
+
---
|
| 65 |
+
|
| 66 |
+
## Task 1: `src/core/determinism.py` — extract thread-pinning helper
|
| 67 |
+
|
| 68 |
+
**Why this task:** All three pipelines copy-paste the same six lines pinning OMP/OPENBLAS/MKL/pyarrow to single-thread mode. Drift risk is real (Day-2 review caught it). Extract into one helper, add tests, rewire pipelines in Task 3.
|
| 69 |
+
|
| 70 |
+
**Files:**
|
| 71 |
+
- Create: `src/core/determinism.py`
|
| 72 |
+
- Create: `tests/core/test_determinism.py`
|
| 73 |
+
|
| 74 |
+
- [ ] **Step 1: Write failing tests**
|
| 75 |
+
|
| 76 |
+
Create `tests/core/test_determinism.py`:
|
| 77 |
+
|
| 78 |
+
```python
|
| 79 |
+
"""Tests for src.core.determinism."""
|
| 80 |
+
from __future__ import annotations
|
| 81 |
+
|
| 82 |
+
import os
|
| 83 |
+
|
| 84 |
+
import pyarrow as pa
|
| 85 |
+
|
| 86 |
+
from src.core import determinism
|
| 87 |
+
|
| 88 |
+
|
| 89 |
+
class TestPinThreads:
|
| 90 |
+
def test_sets_omp_env_var(self):
|
| 91 |
+
os.environ.pop("OMP_NUM_THREADS", None)
|
| 92 |
+
determinism.pin_threads()
|
| 93 |
+
assert os.environ["OMP_NUM_THREADS"] == "1"
|
| 94 |
+
|
| 95 |
+
def test_sets_openblas_env_var(self):
|
| 96 |
+
os.environ.pop("OPENBLAS_NUM_THREADS", None)
|
| 97 |
+
determinism.pin_threads()
|
| 98 |
+
assert os.environ["OPENBLAS_NUM_THREADS"] == "1"
|
| 99 |
+
|
| 100 |
+
def test_sets_mkl_env_var(self):
|
| 101 |
+
os.environ.pop("MKL_NUM_THREADS", None)
|
| 102 |
+
determinism.pin_threads()
|
| 103 |
+
assert os.environ["MKL_NUM_THREADS"] == "1"
|
| 104 |
+
|
| 105 |
+
def test_pins_pyarrow_cpu_count_to_1(self):
|
| 106 |
+
pa.set_cpu_count(4)
|
| 107 |
+
determinism.pin_threads()
|
| 108 |
+
assert pa.cpu_count() == 1
|
| 109 |
+
|
| 110 |
+
def test_pins_pyarrow_io_thread_count_to_1(self):
|
| 111 |
+
pa.set_io_thread_count(4)
|
| 112 |
+
determinism.pin_threads()
|
| 113 |
+
assert pa.io_thread_count() == 1
|
| 114 |
+
|
| 115 |
+
def test_does_not_override_existing_env(self):
|
| 116 |
+
"""User explicitly setting OMP_NUM_THREADS=2 must win — pin_threads()
|
| 117 |
+
uses os.environ.setdefault so an upstream override is preserved."""
|
| 118 |
+
os.environ["OMP_NUM_THREADS"] = "2"
|
| 119 |
+
try:
|
| 120 |
+
determinism.pin_threads()
|
| 121 |
+
assert os.environ["OMP_NUM_THREADS"] == "2"
|
| 122 |
+
finally:
|
| 123 |
+
os.environ["OMP_NUM_THREADS"] = "1"
|
| 124 |
+
|
| 125 |
+
def test_idempotent(self):
|
| 126 |
+
determinism.pin_threads()
|
| 127 |
+
determinism.pin_threads()
|
| 128 |
+
assert pa.cpu_count() == 1
|
| 129 |
+
```
|
| 130 |
+
|
| 131 |
+
- [ ] **Step 2: Run tests to verify they fail**
|
| 132 |
+
|
| 133 |
+
```
|
| 134 |
+
pytest tests/core/test_determinism.py -v
|
| 135 |
+
```
|
| 136 |
+
Expected: 7 errors / fails — module `src.core.determinism` does not exist.
|
| 137 |
+
|
| 138 |
+
- [ ] **Step 3: Implement `src/core/determinism.py`**
|
| 139 |
+
|
| 140 |
+
```python
|
| 141 |
+
"""Threading determinism: pin BLAS / OpenMP / pyarrow to single-threaded mode.
|
| 142 |
+
|
| 143 |
+
Multi-threaded floating-point reductions reorder operands non-deterministically
|
| 144 |
+
on each call, breaking the byte-identity guarantee in AGENTS.md §4 rule 3. Each
|
| 145 |
+
pipeline calls `pin_threads()` at import time to lock the process to a single
|
| 146 |
+
thread before any numerical work runs.
|
| 147 |
+
|
| 148 |
+
Honors pre-set env vars: if the caller exported `OMP_NUM_THREADS=4` upstream,
|
| 149 |
+
that value is preserved (we use `setdefault`, not `setitem`). The user is
|
| 150 |
+
responsible for the determinism trade-off in that case.
|
| 151 |
+
"""
|
| 152 |
+
from __future__ import annotations
|
| 153 |
+
|
| 154 |
+
import os
|
| 155 |
+
|
| 156 |
+
import pyarrow as pa
|
| 157 |
+
|
| 158 |
+
_ENV_VARS: tuple[str, ...] = (
|
| 159 |
+
"OMP_NUM_THREADS",
|
| 160 |
+
"OPENBLAS_NUM_THREADS",
|
| 161 |
+
"MKL_NUM_THREADS",
|
| 162 |
+
)
|
| 163 |
+
|
| 164 |
+
|
| 165 |
+
def pin_threads() -> None:
|
| 166 |
+
"""Pin BLAS / OpenMP / pyarrow to single-threaded mode (idempotent)."""
|
| 167 |
+
for var in _ENV_VARS:
|
| 168 |
+
os.environ.setdefault(var, "1")
|
| 169 |
+
pa.set_cpu_count(1)
|
| 170 |
+
pa.set_io_thread_count(1)
|
| 171 |
+
```
|
| 172 |
+
|
| 173 |
+
- [ ] **Step 4: Run tests to verify they pass**
|
| 174 |
+
|
| 175 |
+
```
|
| 176 |
+
pytest tests/core/test_determinism.py -v
|
| 177 |
+
```
|
| 178 |
+
Expected: 7 passed.
|
| 179 |
+
|
| 180 |
+
- [ ] **Step 5: Commit**
|
| 181 |
+
|
| 182 |
+
```bash
|
| 183 |
+
git add src/core/determinism.py tests/core/test_determinism.py
|
| 184 |
+
git commit -m "feat(core): extract pin_threads() helper for determinism"
|
| 185 |
+
```
|
| 186 |
+
|
| 187 |
+
---
|
| 188 |
+
|
| 189 |
+
## Task 2: `src/core/storage.py` — extract Parquet write helper
|
| 190 |
+
|
| 191 |
+
**Why this task:** All three pipelines repeat the same `output_path.parent.mkdir(...) / IsADirectoryError check / to_parquet(engine="pyarrow", compression="snappy", index=False)` pattern. Extract once.
|
| 192 |
+
|
| 193 |
+
**Files:**
|
| 194 |
+
- Create: `src/core/storage.py`
|
| 195 |
+
- Create: `tests/core/test_storage.py`
|
| 196 |
+
|
| 197 |
+
- [ ] **Step 1: Write failing tests**
|
| 198 |
+
|
| 199 |
+
Create `tests/core/test_storage.py`:
|
| 200 |
+
|
| 201 |
+
```python
|
| 202 |
+
"""Tests for src.core.storage."""
|
| 203 |
+
from __future__ import annotations
|
| 204 |
+
|
| 205 |
+
import hashlib
|
| 206 |
+
from pathlib import Path
|
| 207 |
+
|
| 208 |
+
import pandas as pd
|
| 209 |
+
import pytest
|
| 210 |
+
|
| 211 |
+
from src.core import storage
|
| 212 |
+
|
| 213 |
+
|
| 214 |
+
def _md5(path: Path) -> str:
|
| 215 |
+
return hashlib.md5(path.read_bytes()).hexdigest()
|
| 216 |
+
|
| 217 |
+
|
| 218 |
+
class TestWriteParquet:
|
| 219 |
+
def test_writes_parquet_at_path(self, tmp_path: Path):
|
| 220 |
+
df = pd.DataFrame({"a": [1, 2, 3], "b": ["x", "y", "z"]})
|
| 221 |
+
out = tmp_path / "out.parquet"
|
| 222 |
+
storage.write_parquet(df, out)
|
| 223 |
+
round_trip = pd.read_parquet(out)
|
| 224 |
+
pd.testing.assert_frame_equal(round_trip, df)
|
| 225 |
+
|
| 226 |
+
def test_creates_parent_directories(self, tmp_path: Path):
|
| 227 |
+
df = pd.DataFrame({"a": [1]})
|
| 228 |
+
out = tmp_path / "deep" / "nested" / "out.parquet"
|
| 229 |
+
storage.write_parquet(df, out)
|
| 230 |
+
assert out.exists()
|
| 231 |
+
|
| 232 |
+
def test_overwrites_existing_file(self, tmp_path: Path):
|
| 233 |
+
out = tmp_path / "out.parquet"
|
| 234 |
+
storage.write_parquet(pd.DataFrame({"a": [1]}), out)
|
| 235 |
+
storage.write_parquet(pd.DataFrame({"a": [2]}), out)
|
| 236 |
+
assert pd.read_parquet(out)["a"].tolist() == [2]
|
| 237 |
+
|
| 238 |
+
def test_raises_if_path_is_directory(self, tmp_path: Path):
|
| 239 |
+
(tmp_path / "out.parquet").mkdir()
|
| 240 |
+
with pytest.raises(IsADirectoryError):
|
| 241 |
+
storage.write_parquet(pd.DataFrame({"a": [1]}), tmp_path / "out.parquet")
|
| 242 |
+
|
| 243 |
+
def test_byte_deterministic_on_repeat(self, tmp_path: Path):
|
| 244 |
+
df = pd.DataFrame({"a": list(range(100)), "b": list(range(100, 200))})
|
| 245 |
+
a, b = tmp_path / "a.parquet", tmp_path / "b.parquet"
|
| 246 |
+
storage.write_parquet(df, a)
|
| 247 |
+
storage.write_parquet(df, b)
|
| 248 |
+
assert _md5(a) == _md5(b)
|
| 249 |
+
|
| 250 |
+
def test_preserves_uint8_dtype(self, tmp_path: Path):
|
| 251 |
+
"""BBB fingerprints are uint8; writing must not silently widen."""
|
| 252 |
+
df = pd.DataFrame({"fp_0": pd.Series([0, 1], dtype="uint8")})
|
| 253 |
+
out = tmp_path / "out.parquet"
|
| 254 |
+
storage.write_parquet(df, out)
|
| 255 |
+
assert pd.read_parquet(out)["fp_0"].dtype == "uint8"
|
| 256 |
+
|
| 257 |
+
def test_index_not_persisted(self, tmp_path: Path):
|
| 258 |
+
"""index=False must be the default — round-trip should reset to RangeIndex."""
|
| 259 |
+
df = pd.DataFrame({"a": [1, 2]}, index=["foo", "bar"])
|
| 260 |
+
out = tmp_path / "out.parquet"
|
| 261 |
+
storage.write_parquet(df, out)
|
| 262 |
+
assert list(pd.read_parquet(out).index) == [0, 1]
|
| 263 |
+
```
|
| 264 |
+
|
| 265 |
+
- [ ] **Step 2: Run tests to verify they fail**
|
| 266 |
+
|
| 267 |
+
```
|
| 268 |
+
pytest tests/core/test_storage.py -v
|
| 269 |
+
```
|
| 270 |
+
Expected: 7 errors — module not found.
|
| 271 |
+
|
| 272 |
+
- [ ] **Step 3: Implement `src/core/storage.py`**
|
| 273 |
+
|
| 274 |
+
```python
|
| 275 |
+
"""Deterministic Parquet I/O for `data/processed/` outputs.
|
| 276 |
+
|
| 277 |
+
Implements AGENTS.md §6 storage convention: pyarrow engine, snappy compression,
|
| 278 |
+
index suppressed. Combined with `src.core.determinism.pin_threads`, this writes
|
| 279 |
+
byte-identical Parquet files across runs.
|
| 280 |
+
"""
|
| 281 |
+
from __future__ import annotations
|
| 282 |
+
|
| 283 |
+
from pathlib import Path
|
| 284 |
+
|
| 285 |
+
import pandas as pd
|
| 286 |
+
|
| 287 |
+
|
| 288 |
+
def write_parquet(df: pd.DataFrame, output_path: Path) -> None:
|
| 289 |
+
"""Write `df` to `output_path` as deterministic, snappy-compressed Parquet.
|
| 290 |
+
|
| 291 |
+
Creates parent directories as needed. Overwrites any existing file at
|
| 292 |
+
`output_path`. Raises `IsADirectoryError` if `output_path` resolves to an
|
| 293 |
+
existing directory (caller passed a directory by mistake).
|
| 294 |
+
|
| 295 |
+
Args:
|
| 296 |
+
df: DataFrame to persist. Dtypes preserved (uint8 stays uint8, etc.).
|
| 297 |
+
output_path: Destination file path (parent directories auto-created).
|
| 298 |
+
|
| 299 |
+
Raises:
|
| 300 |
+
IsADirectoryError: if `output_path` is an existing directory.
|
| 301 |
+
"""
|
| 302 |
+
output_path = Path(output_path)
|
| 303 |
+
output_path.parent.mkdir(parents=True, exist_ok=True)
|
| 304 |
+
if output_path.is_dir():
|
| 305 |
+
raise IsADirectoryError(
|
| 306 |
+
f"output_path must be a file, got a directory: {output_path}"
|
| 307 |
+
)
|
| 308 |
+
df.to_parquet(
|
| 309 |
+
output_path, index=False, engine="pyarrow", compression="snappy",
|
| 310 |
+
)
|
| 311 |
+
```
|
| 312 |
+
|
| 313 |
+
- [ ] **Step 4: Run tests to verify they pass**
|
| 314 |
+
|
| 315 |
+
```
|
| 316 |
+
pytest tests/core/test_storage.py -v
|
| 317 |
+
```
|
| 318 |
+
Expected: 7 passed.
|
| 319 |
+
|
| 320 |
+
- [ ] **Step 5: Commit**
|
| 321 |
+
|
| 322 |
+
```bash
|
| 323 |
+
git add src/core/storage.py tests/core/test_storage.py
|
| 324 |
+
git commit -m "feat(core): extract write_parquet() helper for §6 storage contract"
|
| 325 |
+
```
|
| 326 |
+
|
| 327 |
+
---
|
| 328 |
+
|
| 329 |
+
## Task 3: Refactor BBB / EEG / MRI pipelines to use core helpers
|
| 330 |
+
|
| 331 |
+
**Why this task:** Replace three duplicate copies of the env-pinning block + the `to_parquet(...)` call with the new helpers. Existing tests must stay green (this is pure refactor — zero behavior change).
|
| 332 |
+
|
| 333 |
+
**Files:**
|
| 334 |
+
- Modify: `src/pipelines/bbb_pipeline.py` (replace env block + to_parquet)
|
| 335 |
+
- Modify: `src/pipelines/eeg_pipeline.py` (same)
|
| 336 |
+
- Modify: `src/pipelines/mri_pipeline.py` (same)
|
| 337 |
+
|
| 338 |
+
- [ ] **Step 1: Refactor `bbb_pipeline.py`**
|
| 339 |
+
|
| 340 |
+
In `src/pipelines/bbb_pipeline.py`:
|
| 341 |
+
|
| 342 |
+
Replace the env-pinning block (currently lines ~28-35, the `os.environ.setdefault(...)` lines + `pa.set_cpu_count(1)` + `pa.set_io_thread_count(1)`):
|
| 343 |
+
|
| 344 |
+
```python
|
| 345 |
+
# Old:
|
| 346 |
+
os.environ.setdefault("OMP_NUM_THREADS", "1")
|
| 347 |
+
os.environ.setdefault("OPENBLAS_NUM_THREADS", "1")
|
| 348 |
+
os.environ.setdefault("MKL_NUM_THREADS", "1")
|
| 349 |
+
pa.set_cpu_count(1)
|
| 350 |
+
pa.set_io_thread_count(1)
|
| 351 |
+
```
|
| 352 |
+
|
| 353 |
+
With:
|
| 354 |
+
|
| 355 |
+
```python
|
| 356 |
+
# New:
|
| 357 |
+
from src.core.determinism import pin_threads
|
| 358 |
+
|
| 359 |
+
pin_threads()
|
| 360 |
+
```
|
| 361 |
+
|
| 362 |
+
Remove the now-unused `import os` and `import pyarrow as pa` lines if they have no other call sites in this file (they don't — verify). Keep the comment block above explaining why determinism matters.
|
| 363 |
+
|
| 364 |
+
In `run_pipeline()`, replace the trailing block:
|
| 365 |
+
|
| 366 |
+
```python
|
| 367 |
+
# Old:
|
| 368 |
+
output_path.parent.mkdir(parents=True, exist_ok=True)
|
| 369 |
+
if output_path.is_dir():
|
| 370 |
+
raise IsADirectoryError(...)
|
| 371 |
+
features.to_parquet(output_path, index=False, engine="pyarrow", compression="snappy")
|
| 372 |
+
```
|
| 373 |
+
|
| 374 |
+
With:
|
| 375 |
+
|
| 376 |
+
```python
|
| 377 |
+
# New:
|
| 378 |
+
from src.core.storage import write_parquet # at top of module
|
| 379 |
+
...
|
| 380 |
+
write_parquet(features, output_path)
|
| 381 |
+
```
|
| 382 |
+
|
| 383 |
+
Keep the `logger.info("Wrote processed features to %s ...")` line immediately after — it remains the user-visible trace.
|
| 384 |
+
|
| 385 |
+
- [ ] **Step 2: Run BBB tests**
|
| 386 |
+
|
| 387 |
+
```
|
| 388 |
+
pytest tests/pipelines/test_bbb_pipeline.py -v
|
| 389 |
+
```
|
| 390 |
+
Expected: 23 passed (unchanged from Day 1).
|
| 391 |
+
|
| 392 |
+
- [ ] **Step 3: Repeat refactor for `eeg_pipeline.py` and `mri_pipeline.py`**
|
| 393 |
+
|
| 394 |
+
Apply identical replacements. Same imports added (`from src.core.determinism import pin_threads`, `from src.core.storage import write_parquet`). Same env-block deletion. Same `to_parquet → write_parquet` swap.
|
| 395 |
+
|
| 396 |
+
- [ ] **Step 4: Run full pipeline test suite**
|
| 397 |
+
|
| 398 |
+
```
|
| 399 |
+
pytest tests/pipelines/ -v
|
| 400 |
+
```
|
| 401 |
+
Expected: 23 (BBB) + 37 (EEG) + 39 (MRI) = 99 passed. Plus 7 logger + 7 determinism + 7 storage = 113 tests green at this point. Verify count.
|
| 402 |
+
|
| 403 |
+
- [ ] **Step 5: Commit each pipeline refactor as its own commit**
|
| 404 |
+
|
| 405 |
+
```bash
|
| 406 |
+
git add src/pipelines/bbb_pipeline.py
|
| 407 |
+
git commit -m "refactor(bbb): use core.determinism + core.storage helpers"
|
| 408 |
+
|
| 409 |
+
git add src/pipelines/eeg_pipeline.py
|
| 410 |
+
git commit -m "refactor(eeg): use core.determinism + core.storage helpers"
|
| 411 |
+
|
| 412 |
+
git add src/pipelines/mri_pipeline.py
|
| 413 |
+
git commit -m "refactor(mri): use core.determinism + core.storage helpers"
|
| 414 |
+
```
|
| 415 |
+
|
| 416 |
+
---
|
| 417 |
+
|
| 418 |
+
## Task 4: Cross-pipeline smoke test
|
| 419 |
+
|
| 420 |
+
**Why this task:** A single test runs all three pipelines back-to-back against their fixtures and asserts each produces a non-empty Parquet with expected schema. This is the hackathon-judge "does the whole thing work?" test.
|
| 421 |
+
|
| 422 |
+
**Files:**
|
| 423 |
+
- Create: `tests/pipelines/test_cross_pipeline_smoke.py`
|
| 424 |
+
|
| 425 |
+
- [ ] **Step 1: Write the smoke test**
|
| 426 |
+
|
| 427 |
+
Create `tests/pipelines/test_cross_pipeline_smoke.py`:
|
| 428 |
+
|
| 429 |
+
```python
|
| 430 |
+
"""End-to-end smoke test exercising all three pipelines back-to-back.
|
| 431 |
+
|
| 432 |
+
Asserts each pipeline produces a non-empty Parquet at its expected schema —
|
| 433 |
+
the hackathon-judge "does the whole stack still work?" check. Each pipeline
|
| 434 |
+
uses its own fixture (no cross-modality data sharing).
|
| 435 |
+
"""
|
| 436 |
+
from __future__ import annotations
|
| 437 |
+
|
| 438 |
+
import shutil
|
| 439 |
+
from pathlib import Path
|
| 440 |
+
|
| 441 |
+
import pandas as pd
|
| 442 |
+
import pytest
|
| 443 |
+
|
| 444 |
+
from src.pipelines import bbb_pipeline, eeg_pipeline, mri_pipeline
|
| 445 |
+
|
| 446 |
+
|
| 447 |
+
_REPO_ROOT = Path(__file__).resolve().parents[2]
|
| 448 |
+
_FIXTURES = _REPO_ROOT / "tests" / "fixtures"
|
| 449 |
+
|
| 450 |
+
|
| 451 |
+
def test_bbb_pipeline_smoke(tmp_path: Path):
|
| 452 |
+
out = tmp_path / "bbb.parquet"
|
| 453 |
+
bbb_pipeline.run_pipeline(
|
| 454 |
+
input_path=_FIXTURES / "bbbp_sample.csv",
|
| 455 |
+
output_path=out,
|
| 456 |
+
)
|
| 457 |
+
df = pd.read_parquet(out)
|
| 458 |
+
assert len(df) > 0
|
| 459 |
+
assert sum(c.startswith("fp_") for c in df.columns) == 2048
|
| 460 |
+
|
| 461 |
+
|
| 462 |
+
def test_eeg_pipeline_smoke(tmp_path: Path):
|
| 463 |
+
"""Use the EEG fixture builder to materialize the FIF input."""
|
| 464 |
+
from tests.fixtures.build_eeg_fixture import build as build_eeg
|
| 465 |
+
fif = build_eeg(out_dir=tmp_path / "eeg_fixture")
|
| 466 |
+
out = tmp_path / "eeg.parquet"
|
| 467 |
+
eeg_pipeline.run_pipeline(input_path=fif, output_path=out)
|
| 468 |
+
df = pd.read_parquet(out)
|
| 469 |
+
assert len(df) > 0
|
| 470 |
+
assert "epoch_id" in df.columns
|
| 471 |
+
|
| 472 |
+
|
| 473 |
+
def test_mri_pipeline_smoke(tmp_path: Path):
|
| 474 |
+
"""Use the MRI fixture builder to materialize NIfTI inputs + sites.csv."""
|
| 475 |
+
from tests.fixtures.build_mri_fixture import build as build_mri
|
| 476 |
+
fixture_dir = build_mri(out_dir=tmp_path / "mri_fixture")
|
| 477 |
+
out = tmp_path / "mri.parquet"
|
| 478 |
+
mri_pipeline.run_pipeline(
|
| 479 |
+
input_dir=fixture_dir,
|
| 480 |
+
sites_csv=fixture_dir / "sites.csv",
|
| 481 |
+
output_path=out,
|
| 482 |
+
)
|
| 483 |
+
df = pd.read_parquet(out)
|
| 484 |
+
assert len(df) > 0
|
| 485 |
+
assert "subject_id" in df.columns
|
| 486 |
+
assert "site" in df.columns
|
| 487 |
+
|
| 488 |
+
|
| 489 |
+
def test_all_three_pipelines_run_in_one_process(tmp_path: Path):
|
| 490 |
+
"""Sanity: nothing in pipeline A leaks state that breaks pipeline B."""
|
| 491 |
+
test_bbb_pipeline_smoke(tmp_path / "bbb")
|
| 492 |
+
test_eeg_pipeline_smoke(tmp_path / "eeg")
|
| 493 |
+
test_mri_pipeline_smoke(tmp_path / "mri")
|
| 494 |
+
```
|
| 495 |
+
|
| 496 |
+
> **Verify before writing:** confirm `tests/fixtures/build_eeg_fixture.py` and `build_mri_fixture.py` both expose a `build(out_dir: Path)` function. If `build_eeg_fixture.py` doesn't exist or has a different signature, adapt the test to use whatever loader the existing EEG tests use — read `tests/pipelines/test_eeg_pipeline.py` first and mirror its fixture-loading pattern. **Do not invent file paths.**
|
| 497 |
+
|
| 498 |
+
- [ ] **Step 2: Run tests**
|
| 499 |
+
|
| 500 |
+
```
|
| 501 |
+
pytest tests/pipelines/test_cross_pipeline_smoke.py -v
|
| 502 |
+
```
|
| 503 |
+
Expected: 4 passed.
|
| 504 |
+
|
| 505 |
+
- [ ] **Step 3: Commit**
|
| 506 |
+
|
| 507 |
+
```bash
|
| 508 |
+
git add tests/pipelines/test_cross_pipeline_smoke.py
|
| 509 |
+
git commit -m "test: cross-pipeline smoke run for all three modalities"
|
| 510 |
+
```
|
| 511 |
+
|
| 512 |
+
---
|
| 513 |
+
|
| 514 |
+
## Task 5: `src/core/tracking.py` — MLflow helper
|
| 515 |
+
|
| 516 |
+
**Why this task:** Each pipeline needs to log `params` (input path, configuration), `metrics` (row counts, runtime), and the output Parquet as an artifact. Writing four `mlflow.start_run / mlflow.log_param / mlflow.log_metric / mlflow.log_artifact` calls inline in each pipeline is duplication and breaks the existing tests (MLflow writes to a real `mlruns/` dir by default). Wrap in one helper.
|
| 517 |
+
|
| 518 |
+
**Files:**
|
| 519 |
+
- Create: `src/core/tracking.py`
|
| 520 |
+
- Create: `tests/core/test_tracking.py`
|
| 521 |
+
- Create: `conftest.py` at repo root (autouse fixture pinning `MLFLOW_TRACKING_URI` to a tmp path during tests)
|
| 522 |
+
|
| 523 |
+
- [ ] **Step 1: Write `conftest.py` to isolate MLflow during tests**
|
| 524 |
+
|
| 525 |
+
Create `/Users/mertgungor/Desktop/hackathon/conftest.py`:
|
| 526 |
+
|
| 527 |
+
```python
|
| 528 |
+
"""Repo-wide pytest fixtures.
|
| 529 |
+
|
| 530 |
+
Pins MLflow's tracking URI to a per-session tmp directory so pipeline tests
|
| 531 |
+
don't litter `./mlruns/` in the working tree, and so test runs are isolated
|
| 532 |
+
from production MLflow state.
|
| 533 |
+
"""
|
| 534 |
+
from __future__ import annotations
|
| 535 |
+
|
| 536 |
+
import os
|
| 537 |
+
import tempfile
|
| 538 |
+
from pathlib import Path
|
| 539 |
+
|
| 540 |
+
import pytest
|
| 541 |
+
|
| 542 |
+
|
| 543 |
+
@pytest.fixture(autouse=True, scope="session")
|
| 544 |
+
def _isolate_mlflow_tracking_uri() -> None:
|
| 545 |
+
tmp_root = Path(tempfile.mkdtemp(prefix="mlflow_test_"))
|
| 546 |
+
os.environ["MLFLOW_TRACKING_URI"] = f"file://{tmp_root}"
|
| 547 |
+
yield
|
| 548 |
+
# Don't rmtree — pytest tmpdir cleanup or OS handles it; rmtree
|
| 549 |
+
# races with mlflow background writes on slow CI.
|
| 550 |
+
```
|
| 551 |
+
|
| 552 |
+
- [ ] **Step 2: Write failing tests for tracking helper**
|
| 553 |
+
|
| 554 |
+
Create `tests/core/test_tracking.py`:
|
| 555 |
+
|
| 556 |
+
```python
|
| 557 |
+
"""Tests for src.core.tracking."""
|
| 558 |
+
from __future__ import annotations
|
| 559 |
+
|
| 560 |
+
import os
|
| 561 |
+
from pathlib import Path
|
| 562 |
+
|
| 563 |
+
import mlflow
|
| 564 |
+
import pandas as pd
|
| 565 |
+
|
| 566 |
+
from src.core import tracking
|
| 567 |
+
|
| 568 |
+
|
| 569 |
+
class TestTrackPipelineRun:
|
| 570 |
+
def test_creates_run_with_experiment_name(self, tmp_path: Path):
|
| 571 |
+
out = tmp_path / "out.parquet"
|
| 572 |
+
pd.DataFrame({"a": [1]}).to_parquet(out)
|
| 573 |
+
with tracking.track_pipeline_run(
|
| 574 |
+
experiment_name="bbb_pipeline",
|
| 575 |
+
params={"input_path": "x.csv"},
|
| 576 |
+
metrics={"rows_in": 6.0, "rows_out": 4.0},
|
| 577 |
+
artifact_path=out,
|
| 578 |
+
) as run_id:
|
| 579 |
+
assert run_id is not None
|
| 580 |
+
runs = mlflow.search_runs(experiment_names=["bbb_pipeline"])
|
| 581 |
+
assert len(runs) >= 1
|
| 582 |
+
|
| 583 |
+
def test_logs_params(self, tmp_path: Path):
|
| 584 |
+
out = tmp_path / "out.parquet"
|
| 585 |
+
pd.DataFrame({"a": [1]}).to_parquet(out)
|
| 586 |
+
with tracking.track_pipeline_run(
|
| 587 |
+
experiment_name="bbb_pipeline_params",
|
| 588 |
+
params={"n_bits": 2048, "radius": 2},
|
| 589 |
+
metrics={},
|
| 590 |
+
artifact_path=out,
|
| 591 |
+
):
|
| 592 |
+
pass
|
| 593 |
+
runs = mlflow.search_runs(experiment_names=["bbb_pipeline_params"])
|
| 594 |
+
assert "params.n_bits" in runs.columns
|
| 595 |
+
assert runs.iloc[0]["params.n_bits"] == "2048"
|
| 596 |
+
|
| 597 |
+
def test_logs_metrics(self, tmp_path: Path):
|
| 598 |
+
out = tmp_path / "out.parquet"
|
| 599 |
+
pd.DataFrame({"a": [1]}).to_parquet(out)
|
| 600 |
+
with tracking.track_pipeline_run(
|
| 601 |
+
experiment_name="eeg_pipeline_metrics",
|
| 602 |
+
params={},
|
| 603 |
+
metrics={"duration_sec": 1.234, "rows_out": 100.0},
|
| 604 |
+
artifact_path=out,
|
| 605 |
+
):
|
| 606 |
+
pass
|
| 607 |
+
runs = mlflow.search_runs(experiment_names=["eeg_pipeline_metrics"])
|
| 608 |
+
assert runs.iloc[0]["metrics.duration_sec"] == 1.234
|
| 609 |
+
assert runs.iloc[0]["metrics.rows_out"] == 100.0
|
| 610 |
+
|
| 611 |
+
def test_logs_artifact(self, tmp_path: Path):
|
| 612 |
+
out = tmp_path / "out.parquet"
|
| 613 |
+
pd.DataFrame({"a": [1]}).to_parquet(out)
|
| 614 |
+
with tracking.track_pipeline_run(
|
| 615 |
+
experiment_name="mri_pipeline_artifact",
|
| 616 |
+
params={},
|
| 617 |
+
metrics={},
|
| 618 |
+
artifact_path=out,
|
| 619 |
+
) as run_id:
|
| 620 |
+
pass
|
| 621 |
+
artifacts = mlflow.MlflowClient().list_artifacts(run_id)
|
| 622 |
+
assert any(a.path.endswith("out.parquet") for a in artifacts)
|
| 623 |
+
|
| 624 |
+
def test_disabled_via_env_returns_no_op(self, monkeypatch, tmp_path: Path):
|
| 625 |
+
"""Setting NEUROBRIDGE_DISABLE_MLFLOW=1 must skip MLflow entirely
|
| 626 |
+
(used by Docker compose dev mode where the tracking server is down)."""
|
| 627 |
+
monkeypatch.setenv("NEUROBRIDGE_DISABLE_MLFLOW", "1")
|
| 628 |
+
out = tmp_path / "out.parquet"
|
| 629 |
+
pd.DataFrame({"a": [1]}).to_parquet(out)
|
| 630 |
+
with tracking.track_pipeline_run(
|
| 631 |
+
experiment_name="should_not_appear",
|
| 632 |
+
params={"x": 1},
|
| 633 |
+
metrics={"y": 2.0},
|
| 634 |
+
artifact_path=out,
|
| 635 |
+
) as run_id:
|
| 636 |
+
assert run_id is None
|
| 637 |
+
# No "should_not_appear" experiment was created
|
| 638 |
+
names = [e.name for e in mlflow.search_experiments()]
|
| 639 |
+
assert "should_not_appear" not in names
|
| 640 |
+
```
|
| 641 |
+
|
| 642 |
+
- [ ] **Step 3: Run tests to verify they fail**
|
| 643 |
+
|
| 644 |
+
```
|
| 645 |
+
pytest tests/core/test_tracking.py -v
|
| 646 |
+
```
|
| 647 |
+
Expected: errors — module not found.
|
| 648 |
+
|
| 649 |
+
- [ ] **Step 4: Implement `src/core/tracking.py`**
|
| 650 |
+
|
| 651 |
+
```python
|
| 652 |
+
"""MLflow tracking helper used by all three pipelines.
|
| 653 |
+
|
| 654 |
+
Wraps `mlflow.start_run` so each pipeline can log params, metrics, and an
|
| 655 |
+
output artifact in one block. Honors `NEUROBRIDGE_DISABLE_MLFLOW=1` for
|
| 656 |
+
environments where the tracking server is not reachable (offline demos, CI
|
| 657 |
+
without mlflow service). When disabled, yields `None` and does no I/O.
|
| 658 |
+
|
| 659 |
+
Tracking URI source of truth: the standard `MLFLOW_TRACKING_URI` env var.
|
| 660 |
+
Tests pin this via the repo-wide conftest.py autouse fixture.
|
| 661 |
+
"""
|
| 662 |
+
from __future__ import annotations
|
| 663 |
+
|
| 664 |
+
import contextlib
|
| 665 |
+
import os
|
| 666 |
+
from pathlib import Path
|
| 667 |
+
from typing import Iterator
|
| 668 |
+
|
| 669 |
+
import mlflow
|
| 670 |
+
|
| 671 |
+
from src.core.logger import get_logger
|
| 672 |
+
|
| 673 |
+
logger = get_logger(__name__)
|
| 674 |
+
|
| 675 |
+
_DISABLE_FLAG = "NEUROBRIDGE_DISABLE_MLFLOW"
|
| 676 |
+
|
| 677 |
+
|
| 678 |
+
@contextlib.contextmanager
|
| 679 |
+
def track_pipeline_run(
|
| 680 |
+
experiment_name: str,
|
| 681 |
+
params: dict[str, object],
|
| 682 |
+
metrics: dict[str, float],
|
| 683 |
+
artifact_path: Path,
|
| 684 |
+
) -> Iterator[str | None]:
|
| 685 |
+
"""Context manager that creates an MLflow run for one pipeline invocation.
|
| 686 |
+
|
| 687 |
+
On enter: creates/loads `experiment_name`, starts a run, logs params + metrics.
|
| 688 |
+
On exit: logs `artifact_path` as an artifact and ends the run.
|
| 689 |
+
|
| 690 |
+
Yields the active `run_id` (str), or `None` if MLflow is disabled.
|
| 691 |
+
|
| 692 |
+
Args:
|
| 693 |
+
experiment_name: e.g. "bbb_pipeline" / "eeg_pipeline" / "mri_pipeline".
|
| 694 |
+
params: Run parameters (input path, hyper-params, etc.). Stringified by MLflow.
|
| 695 |
+
metrics: Numeric metrics (row counts, durations).
|
| 696 |
+
artifact_path: Path to the produced Parquet — logged as a run artifact.
|
| 697 |
+
"""
|
| 698 |
+
if os.environ.get(_DISABLE_FLAG) == "1":
|
| 699 |
+
logger.info("MLflow disabled via %s=1; skipping run tracking", _DISABLE_FLAG)
|
| 700 |
+
yield None
|
| 701 |
+
return
|
| 702 |
+
|
| 703 |
+
mlflow.set_experiment(experiment_name)
|
| 704 |
+
with mlflow.start_run() as run:
|
| 705 |
+
for key, value in params.items():
|
| 706 |
+
mlflow.log_param(key, value)
|
| 707 |
+
for key, value in metrics.items():
|
| 708 |
+
mlflow.log_metric(key, value)
|
| 709 |
+
try:
|
| 710 |
+
yield run.info.run_id
|
| 711 |
+
finally:
|
| 712 |
+
if Path(artifact_path).exists():
|
| 713 |
+
mlflow.log_artifact(str(artifact_path))
|
| 714 |
+
```
|
| 715 |
+
|
| 716 |
+
- [ ] **Step 5: Run tests to verify they pass**
|
| 717 |
+
|
| 718 |
+
```
|
| 719 |
+
pytest tests/core/test_tracking.py -v
|
| 720 |
+
```
|
| 721 |
+
Expected: 5 passed.
|
| 722 |
+
|
| 723 |
+
- [ ] **Step 6: Commit**
|
| 724 |
+
|
| 725 |
+
```bash
|
| 726 |
+
git add conftest.py src/core/tracking.py tests/core/test_tracking.py
|
| 727 |
+
git commit -m "feat(core): add MLflow tracking helper with disable env-flag"
|
| 728 |
+
```
|
| 729 |
+
|
| 730 |
+
---
|
| 731 |
+
|
| 732 |
+
## Task 6: Wire MLflow tracking into all three pipelines
|
| 733 |
+
|
| 734 |
+
**Why this task:** Each `run_pipeline()` should log params (input/output paths + hyperparams), metrics (rows_in / rows_out / duration_sec), and the output Parquet as an artifact.
|
| 735 |
+
|
| 736 |
+
**Files:**
|
| 737 |
+
- Modify: `src/pipelines/bbb_pipeline.py` (`run_pipeline` function)
|
| 738 |
+
- Modify: `src/pipelines/eeg_pipeline.py` (same)
|
| 739 |
+
- Modify: `src/pipelines/mri_pipeline.py` (same)
|
| 740 |
+
- Modify: `tests/pipelines/test_bbb_pipeline.py` (add 1 test that asserts an MLflow run is created)
|
| 741 |
+
- Modify: `tests/pipelines/test_eeg_pipeline.py` (same)
|
| 742 |
+
- Modify: `tests/pipelines/test_mri_pipeline.py` (same)
|
| 743 |
+
|
| 744 |
+
- [ ] **Step 1: Add MLflow assertion test to BBB**
|
| 745 |
+
|
| 746 |
+
Append to `tests/pipelines/test_bbb_pipeline.py`:
|
| 747 |
+
|
| 748 |
+
```python
|
| 749 |
+
import mlflow
|
| 750 |
+
from src.pipelines import bbb_pipeline as _bbb_for_mlflow_test
|
| 751 |
+
|
| 752 |
+
|
| 753 |
+
class TestBBBPipelineMLflow:
|
| 754 |
+
def test_run_pipeline_creates_mlflow_run(self, tmp_path):
|
| 755 |
+
fixture = Path(__file__).resolve().parents[1] / "fixtures" / "bbbp_sample.csv"
|
| 756 |
+
out = tmp_path / "out.parquet"
|
| 757 |
+
_bbb_for_mlflow_test.run_pipeline(input_path=fixture, output_path=out)
|
| 758 |
+
runs = mlflow.search_runs(experiment_names=["bbb_pipeline"])
|
| 759 |
+
assert len(runs) >= 1
|
| 760 |
+
assert "metrics.rows_out" in runs.columns
|
| 761 |
+
assert runs.iloc[0]["metrics.rows_out"] > 0
|
| 762 |
+
```
|
| 763 |
+
|
| 764 |
+
- [ ] **Step 2: Run failing test**
|
| 765 |
+
|
| 766 |
+
```
|
| 767 |
+
pytest tests/pipelines/test_bbb_pipeline.py::TestBBBPipelineMLflow -v
|
| 768 |
+
```
|
| 769 |
+
Expected: FAIL — no `bbb_pipeline` experiment.
|
| 770 |
+
|
| 771 |
+
- [ ] **Step 3: Wire MLflow into `bbb_pipeline.run_pipeline`**
|
| 772 |
+
|
| 773 |
+
In `src/pipelines/bbb_pipeline.py`, modify `run_pipeline`:
|
| 774 |
+
|
| 775 |
+
```python
|
| 776 |
+
import time
|
| 777 |
+
|
| 778 |
+
from src.core.tracking import track_pipeline_run
|
| 779 |
+
|
| 780 |
+
def run_pipeline(
|
| 781 |
+
input_path: Path = DEFAULT_INPUT,
|
| 782 |
+
output_path: Path = DEFAULT_OUTPUT,
|
| 783 |
+
smiles_col: str = "smiles",
|
| 784 |
+
n_bits: int = 2048,
|
| 785 |
+
radius: int = 2,
|
| 786 |
+
) -> None:
|
| 787 |
+
input_path = Path(input_path)
|
| 788 |
+
output_path = Path(output_path)
|
| 789 |
+
if not input_path.exists():
|
| 790 |
+
raise FileNotFoundError(f"Raw BBBP file not found: {input_path}")
|
| 791 |
+
|
| 792 |
+
started = time.perf_counter()
|
| 793 |
+
logger.info("Reading raw BBBP from %s", input_path)
|
| 794 |
+
df = pd.read_csv(input_path)
|
| 795 |
+
logger.info("Loaded %d rows, %d columns", len(df), len(df.columns))
|
| 796 |
+
|
| 797 |
+
features = extract_features_from_dataframe(
|
| 798 |
+
df, smiles_col=smiles_col, n_bits=n_bits, radius=radius,
|
| 799 |
+
)
|
| 800 |
+
write_parquet(features, output_path)
|
| 801 |
+
duration_sec = time.perf_counter() - started
|
| 802 |
+
|
| 803 |
+
logger.info(
|
| 804 |
+
"Wrote processed features to %s (rows=%d, cols=%d)",
|
| 805 |
+
output_path, len(features), features.shape[1],
|
| 806 |
+
)
|
| 807 |
+
|
| 808 |
+
with track_pipeline_run(
|
| 809 |
+
experiment_name="bbb_pipeline",
|
| 810 |
+
params={
|
| 811 |
+
"input_path": str(input_path),
|
| 812 |
+
"output_path": str(output_path),
|
| 813 |
+
"n_bits": n_bits,
|
| 814 |
+
"radius": radius,
|
| 815 |
+
},
|
| 816 |
+
metrics={
|
| 817 |
+
"rows_in": float(len(df)),
|
| 818 |
+
"rows_out": float(len(features)),
|
| 819 |
+
"rows_dropped": float(len(df) - len(features)),
|
| 820 |
+
"duration_sec": duration_sec,
|
| 821 |
+
},
|
| 822 |
+
artifact_path=output_path,
|
| 823 |
+
):
|
| 824 |
+
pass
|
| 825 |
+
```
|
| 826 |
+
|
| 827 |
+
- [ ] **Step 4: Run BBB test suite**
|
| 828 |
+
|
| 829 |
+
```
|
| 830 |
+
pytest tests/pipelines/test_bbb_pipeline.py -v
|
| 831 |
+
```
|
| 832 |
+
Expected: 24 passed (was 23 + 1 new MLflow test).
|
| 833 |
+
|
| 834 |
+
- [ ] **Step 5: Commit**
|
| 835 |
+
|
| 836 |
+
```bash
|
| 837 |
+
git add src/pipelines/bbb_pipeline.py tests/pipelines/test_bbb_pipeline.py
|
| 838 |
+
git commit -m "feat(bbb): log run params, metrics, and parquet artifact to MLflow"
|
| 839 |
+
```
|
| 840 |
+
|
| 841 |
+
- [ ] **Step 6: Repeat for EEG**
|
| 842 |
+
|
| 843 |
+
Add a TestEEGPipelineMLflow class to `tests/pipelines/test_eeg_pipeline.py` mirroring the BBB pattern (using the EEG fixture). In `src/pipelines/eeg_pipeline.py`, wire MLflow into `run_pipeline` with experiment_name="eeg_pipeline" and EEG-relevant params (input_path, l_freq, h_freq, epoch_duration, etc.) and metrics (epochs_in, epochs_out, channels, duration_sec).
|
| 844 |
+
|
| 845 |
+
Run: `pytest tests/pipelines/test_eeg_pipeline.py -v` → 38 passed.
|
| 846 |
+
Commit: `feat(eeg): log run params, metrics, and parquet artifact to MLflow`.
|
| 847 |
+
|
| 848 |
+
- [ ] **Step 7: Repeat for MRI**
|
| 849 |
+
|
| 850 |
+
Add a TestMRIPipelineMLflow class. Wire MLflow into MRI `run_pipeline` with experiment_name="mri_pipeline" and MRI-relevant params (input_dir, sites_csv, n_roi_axes) and metrics (subjects_in, subjects_out, sites_count, duration_sec).
|
| 851 |
+
|
| 852 |
+
Run: `pytest tests/pipelines/test_mri_pipeline.py -v` → 40 passed.
|
| 853 |
+
Commit: `feat(mri): log run params, metrics, and parquet artifact to MLflow`.
|
| 854 |
+
|
| 855 |
+
- [ ] **Step 8: Run full test suite**
|
| 856 |
+
|
| 857 |
+
```
|
| 858 |
+
pytest -v
|
| 859 |
+
```
|
| 860 |
+
Expected total: ~119 tests passed (113 prior + 3 MLflow tests + 3 in-pipeline rewires; verify exact count, fix any reds).
|
| 861 |
+
|
| 862 |
+
---
|
| 863 |
+
|
| 864 |
+
## Task 7: FastAPI scaffolding — `schemas.py` + `main.py` + /health
|
| 865 |
+
|
| 866 |
+
**Why this task:** Stand up the FastAPI app with shared Pydantic models before adding pipeline routes. /health returns 200 OK so docker-compose health checks have something to poll.
|
| 867 |
+
|
| 868 |
+
**Files:**
|
| 869 |
+
- Create: `src/api/schemas.py`
|
| 870 |
+
- Create: `src/api/main.py`
|
| 871 |
+
- Create: `tests/api/__init__.py` (empty)
|
| 872 |
+
- Create: `tests/api/test_main.py`
|
| 873 |
+
|
| 874 |
+
- [ ] **Step 1: Write failing tests for /health**
|
| 875 |
+
|
| 876 |
+
Create `tests/api/__init__.py` (empty file).
|
| 877 |
+
|
| 878 |
+
Create `tests/api/test_main.py`:
|
| 879 |
+
|
| 880 |
+
```python
|
| 881 |
+
"""Tests for the FastAPI app surface (health + schema imports)."""
|
| 882 |
+
from __future__ import annotations
|
| 883 |
+
|
| 884 |
+
from fastapi.testclient import TestClient
|
| 885 |
+
|
| 886 |
+
from src.api.main import app
|
| 887 |
+
|
| 888 |
+
|
| 889 |
+
client = TestClient(app)
|
| 890 |
+
|
| 891 |
+
|
| 892 |
+
class TestHealthEndpoint:
|
| 893 |
+
def test_get_health_returns_200(self):
|
| 894 |
+
resp = client.get("/health")
|
| 895 |
+
assert resp.status_code == 200
|
| 896 |
+
|
| 897 |
+
def test_get_health_returns_status_ok(self):
|
| 898 |
+
resp = client.get("/health")
|
| 899 |
+
assert resp.json()["status"] == "ok"
|
| 900 |
+
|
| 901 |
+
def test_get_health_returns_pipeline_list(self):
|
| 902 |
+
resp = client.get("/health")
|
| 903 |
+
body = resp.json()
|
| 904 |
+
assert set(body["pipelines"]) == {"bbb", "eeg", "mri"}
|
| 905 |
+
```
|
| 906 |
+
|
| 907 |
+
- [ ] **Step 2: Run tests to verify they fail**
|
| 908 |
+
|
| 909 |
+
```
|
| 910 |
+
pytest tests/api/test_main.py -v
|
| 911 |
+
```
|
| 912 |
+
Expected: ImportError — module not found.
|
| 913 |
+
|
| 914 |
+
- [ ] **Step 3: Implement `src/api/schemas.py`**
|
| 915 |
+
|
| 916 |
+
```python
|
| 917 |
+
"""Pydantic request / response models for the NeuroBridge FastAPI surface.
|
| 918 |
+
|
| 919 |
+
Each pipeline accepts its own request schema (BBBRequest / EEGRequest /
|
| 920 |
+
MRIRequest) but they all return a unified PipelineResponse — the dashboard
|
| 921 |
+
can render a single result card regardless of modality.
|
| 922 |
+
"""
|
| 923 |
+
from __future__ import annotations
|
| 924 |
+
|
| 925 |
+
from pydantic import BaseModel, Field
|
| 926 |
+
|
| 927 |
+
|
| 928 |
+
class BBBRequest(BaseModel):
|
| 929 |
+
input_path: str = Field(..., description="CSV path with a 'smiles' column")
|
| 930 |
+
output_path: str = Field(..., description="Parquet output path")
|
| 931 |
+
smiles_col: str = "smiles"
|
| 932 |
+
n_bits: int = 2048
|
| 933 |
+
radius: int = 2
|
| 934 |
+
|
| 935 |
+
|
| 936 |
+
class EEGRequest(BaseModel):
|
| 937 |
+
input_path: str = Field(..., description="FIF or EDF file")
|
| 938 |
+
output_path: str = Field(..., description="Parquet output path")
|
| 939 |
+
l_freq: float = 1.0
|
| 940 |
+
h_freq: float = 40.0
|
| 941 |
+
epoch_duration_sec: float = 2.0
|
| 942 |
+
|
| 943 |
+
|
| 944 |
+
class MRIRequest(BaseModel):
|
| 945 |
+
input_dir: str = Field(..., description="Directory of .nii.gz files")
|
| 946 |
+
sites_csv: str = Field(..., description="CSV mapping subject_id → site")
|
| 947 |
+
output_path: str = Field(..., description="Parquet output path")
|
| 948 |
+
|
| 949 |
+
|
| 950 |
+
class PipelineResponse(BaseModel):
|
| 951 |
+
"""Uniform response for every pipeline route."""
|
| 952 |
+
status: str
|
| 953 |
+
output_path: str
|
| 954 |
+
rows: int
|
| 955 |
+
columns: int
|
| 956 |
+
duration_sec: float
|
| 957 |
+
mlflow_run_id: str | None = None
|
| 958 |
+
|
| 959 |
+
|
| 960 |
+
class HealthResponse(BaseModel):
|
| 961 |
+
status: str
|
| 962 |
+
pipelines: list[str]
|
| 963 |
+
```
|
| 964 |
+
|
| 965 |
+
- [ ] **Step 4: Implement `src/api/main.py`**
|
| 966 |
+
|
| 967 |
+
```python
|
| 968 |
+
"""NeuroBridge FastAPI entrypoint.
|
| 969 |
+
|
| 970 |
+
Exposes /health for liveness and mounts pipeline routes from src.api.routes.
|
| 971 |
+
"""
|
| 972 |
+
from __future__ import annotations
|
| 973 |
+
|
| 974 |
+
from fastapi import FastAPI
|
| 975 |
+
|
| 976 |
+
from src.api.schemas import HealthResponse
|
| 977 |
+
|
| 978 |
+
app = FastAPI(
|
| 979 |
+
title="NeuroBridge Enterprise",
|
| 980 |
+
description="Three-modality clinical-ML pipeline surface (BBB / EEG / MRI).",
|
| 981 |
+
version="0.4.0",
|
| 982 |
+
)
|
| 983 |
+
|
| 984 |
+
|
| 985 |
+
@app.get("/health", response_model=HealthResponse)
|
| 986 |
+
def health() -> HealthResponse:
|
| 987 |
+
return HealthResponse(status="ok", pipelines=["bbb", "eeg", "mri"])
|
| 988 |
+
```
|
| 989 |
+
|
| 990 |
+
- [ ] **Step 5: Run tests to verify pass**
|
| 991 |
+
|
| 992 |
+
```
|
| 993 |
+
pytest tests/api/test_main.py -v
|
| 994 |
+
```
|
| 995 |
+
Expected: 3 passed.
|
| 996 |
+
|
| 997 |
+
- [ ] **Step 6: Commit**
|
| 998 |
+
|
| 999 |
+
```bash
|
| 1000 |
+
git add src/api/schemas.py src/api/main.py tests/api/__init__.py tests/api/test_main.py
|
| 1001 |
+
git commit -m "feat(api): scaffold FastAPI app + /health + shared Pydantic schemas"
|
| 1002 |
+
```
|
| 1003 |
+
|
| 1004 |
+
---
|
| 1005 |
+
|
| 1006 |
+
## Task 8: FastAPI pipeline routes
|
| 1007 |
+
|
| 1008 |
+
**Why this task:** Three POST endpoints — one per modality — each invokes the corresponding `run_pipeline()` and returns the unified `PipelineResponse`. Errors mapped to HTTP codes: missing input → 404, bad path → 400, pipeline crash → 500.
|
| 1009 |
+
|
| 1010 |
+
**Files:**
|
| 1011 |
+
- Create: `src/api/routes.py`
|
| 1012 |
+
- Create: `tests/api/test_routes.py`
|
| 1013 |
+
- Modify: `src/api/main.py` (mount the router)
|
| 1014 |
+
|
| 1015 |
+
- [ ] **Step 1: Write failing route tests**
|
| 1016 |
+
|
| 1017 |
+
Create `tests/api/test_routes.py`:
|
| 1018 |
+
|
| 1019 |
+
```python
|
| 1020 |
+
"""Tests for /pipeline/{bbb,eeg,mri} POST endpoints."""
|
| 1021 |
+
from __future__ import annotations
|
| 1022 |
+
|
| 1023 |
+
from pathlib import Path
|
| 1024 |
+
|
| 1025 |
+
import pandas as pd
|
| 1026 |
+
from fastapi.testclient import TestClient
|
| 1027 |
+
|
| 1028 |
+
from src.api.main import app
|
| 1029 |
+
|
| 1030 |
+
|
| 1031 |
+
client = TestClient(app)
|
| 1032 |
+
_FIXTURES = Path(__file__).resolve().parents[1] / "fixtures"
|
| 1033 |
+
|
| 1034 |
+
|
| 1035 |
+
class TestBBBRoute:
|
| 1036 |
+
def test_returns_200_with_valid_input(self, tmp_path: Path):
|
| 1037 |
+
out = tmp_path / "out.parquet"
|
| 1038 |
+
resp = client.post(
|
| 1039 |
+
"/pipeline/bbb",
|
| 1040 |
+
json={
|
| 1041 |
+
"input_path": str(_FIXTURES / "bbbp_sample.csv"),
|
| 1042 |
+
"output_path": str(out),
|
| 1043 |
+
},
|
| 1044 |
+
)
|
| 1045 |
+
assert resp.status_code == 200
|
| 1046 |
+
body = resp.json()
|
| 1047 |
+
assert body["status"] == "ok"
|
| 1048 |
+
assert body["rows"] > 0
|
| 1049 |
+
assert out.exists()
|
| 1050 |
+
|
| 1051 |
+
def test_returns_404_when_input_missing(self, tmp_path: Path):
|
| 1052 |
+
resp = client.post(
|
| 1053 |
+
"/pipeline/bbb",
|
| 1054 |
+
json={
|
| 1055 |
+
"input_path": str(tmp_path / "does_not_exist.csv"),
|
| 1056 |
+
"output_path": str(tmp_path / "out.parquet"),
|
| 1057 |
+
},
|
| 1058 |
+
)
|
| 1059 |
+
assert resp.status_code == 404
|
| 1060 |
+
|
| 1061 |
+
def test_returns_422_on_malformed_body(self):
|
| 1062 |
+
resp = client.post("/pipeline/bbb", json={"banana": 1})
|
| 1063 |
+
assert resp.status_code == 422 # pydantic validation
|
| 1064 |
+
|
| 1065 |
+
|
| 1066 |
+
class TestEEGRoute:
|
| 1067 |
+
def test_returns_200_with_valid_input(self, tmp_path: Path):
|
| 1068 |
+
from tests.fixtures.build_eeg_fixture import build as build_eeg
|
| 1069 |
+
fif = build_eeg(out_dir=tmp_path / "eeg_fixture")
|
| 1070 |
+
out = tmp_path / "out.parquet"
|
| 1071 |
+
resp = client.post(
|
| 1072 |
+
"/pipeline/eeg",
|
| 1073 |
+
json={"input_path": str(fif), "output_path": str(out)},
|
| 1074 |
+
)
|
| 1075 |
+
assert resp.status_code == 200
|
| 1076 |
+
assert resp.json()["rows"] > 0
|
| 1077 |
+
|
| 1078 |
+
|
| 1079 |
+
class TestMRIRoute:
|
| 1080 |
+
def test_returns_200_with_valid_input(self, tmp_path: Path):
|
| 1081 |
+
from tests.fixtures.build_mri_fixture import build as build_mri
|
| 1082 |
+
fixture_dir = build_mri(out_dir=tmp_path / "mri_fixture")
|
| 1083 |
+
out = tmp_path / "out.parquet"
|
| 1084 |
+
resp = client.post(
|
| 1085 |
+
"/pipeline/mri",
|
| 1086 |
+
json={
|
| 1087 |
+
"input_dir": str(fixture_dir),
|
| 1088 |
+
"sites_csv": str(fixture_dir / "sites.csv"),
|
| 1089 |
+
"output_path": str(out),
|
| 1090 |
+
},
|
| 1091 |
+
)
|
| 1092 |
+
assert resp.status_code == 200
|
| 1093 |
+
assert resp.json()["rows"] > 0
|
| 1094 |
+
```
|
| 1095 |
+
|
| 1096 |
+
- [ ] **Step 2: Run failing tests**
|
| 1097 |
+
|
| 1098 |
+
```
|
| 1099 |
+
pytest tests/api/test_routes.py -v
|
| 1100 |
+
```
|
| 1101 |
+
Expected: 5 errors — endpoints return 404 (route not mounted).
|
| 1102 |
+
|
| 1103 |
+
- [ ] **Step 3: Implement `src/api/routes.py`**
|
| 1104 |
+
|
| 1105 |
+
```python
|
| 1106 |
+
"""POST /pipeline/{bbb,eeg,mri} routes — thin dispatchers over the pipelines.
|
| 1107 |
+
|
| 1108 |
+
Each route validates its request body via Pydantic, invokes the pipeline,
|
| 1109 |
+
reads back the produced Parquet to populate row/column counts, and returns
|
| 1110 |
+
a uniform PipelineResponse. Pipeline-domain errors map to standard HTTP
|
| 1111 |
+
codes: FileNotFoundError → 404, ValueError → 400, anything else → 500.
|
| 1112 |
+
"""
|
| 1113 |
+
from __future__ import annotations
|
| 1114 |
+
|
| 1115 |
+
import time
|
| 1116 |
+
from pathlib import Path
|
| 1117 |
+
|
| 1118 |
+
import mlflow
|
| 1119 |
+
import pandas as pd
|
| 1120 |
+
from fastapi import APIRouter, HTTPException
|
| 1121 |
+
|
| 1122 |
+
from src.api.schemas import (
|
| 1123 |
+
BBBRequest, EEGRequest, MRIRequest, PipelineResponse,
|
| 1124 |
+
)
|
| 1125 |
+
from src.core.logger import get_logger
|
| 1126 |
+
from src.pipelines import bbb_pipeline, eeg_pipeline, mri_pipeline
|
| 1127 |
+
|
| 1128 |
+
logger = get_logger(__name__)
|
| 1129 |
+
router = APIRouter(prefix="/pipeline")
|
| 1130 |
+
|
| 1131 |
+
|
| 1132 |
+
def _wrap(experiment_name: str, output_path: Path, fn) -> PipelineResponse:
|
| 1133 |
+
"""Run `fn()` (the pipeline call), gather metrics, return PipelineResponse."""
|
| 1134 |
+
started = time.perf_counter()
|
| 1135 |
+
try:
|
| 1136 |
+
fn()
|
| 1137 |
+
except FileNotFoundError as e:
|
| 1138 |
+
raise HTTPException(status_code=404, detail=str(e))
|
| 1139 |
+
except ValueError as e:
|
| 1140 |
+
raise HTTPException(status_code=400, detail=str(e))
|
| 1141 |
+
duration_sec = time.perf_counter() - started
|
| 1142 |
+
|
| 1143 |
+
df = pd.read_parquet(output_path)
|
| 1144 |
+
runs = mlflow.search_runs(
|
| 1145 |
+
experiment_names=[experiment_name],
|
| 1146 |
+
max_results=1,
|
| 1147 |
+
order_by=["start_time DESC"],
|
| 1148 |
+
)
|
| 1149 |
+
run_id = runs.iloc[0]["run_id"] if len(runs) else None
|
| 1150 |
+
|
| 1151 |
+
return PipelineResponse(
|
| 1152 |
+
status="ok",
|
| 1153 |
+
output_path=str(output_path),
|
| 1154 |
+
rows=len(df),
|
| 1155 |
+
columns=df.shape[1],
|
| 1156 |
+
duration_sec=duration_sec,
|
| 1157 |
+
mlflow_run_id=run_id,
|
| 1158 |
+
)
|
| 1159 |
+
|
| 1160 |
+
|
| 1161 |
+
@router.post("/bbb", response_model=PipelineResponse)
|
| 1162 |
+
def run_bbb(req: BBBRequest) -> PipelineResponse:
|
| 1163 |
+
return _wrap(
|
| 1164 |
+
"bbb_pipeline",
|
| 1165 |
+
Path(req.output_path),
|
| 1166 |
+
lambda: bbb_pipeline.run_pipeline(
|
| 1167 |
+
input_path=Path(req.input_path),
|
| 1168 |
+
output_path=Path(req.output_path),
|
| 1169 |
+
smiles_col=req.smiles_col,
|
| 1170 |
+
n_bits=req.n_bits,
|
| 1171 |
+
radius=req.radius,
|
| 1172 |
+
),
|
| 1173 |
+
)
|
| 1174 |
+
|
| 1175 |
+
|
| 1176 |
+
@router.post("/eeg", response_model=PipelineResponse)
|
| 1177 |
+
def run_eeg(req: EEGRequest) -> PipelineResponse:
|
| 1178 |
+
return _wrap(
|
| 1179 |
+
"eeg_pipeline",
|
| 1180 |
+
Path(req.output_path),
|
| 1181 |
+
lambda: eeg_pipeline.run_pipeline(
|
| 1182 |
+
input_path=Path(req.input_path),
|
| 1183 |
+
output_path=Path(req.output_path),
|
| 1184 |
+
l_freq=req.l_freq,
|
| 1185 |
+
h_freq=req.h_freq,
|
| 1186 |
+
epoch_duration_sec=req.epoch_duration_sec,
|
| 1187 |
+
),
|
| 1188 |
+
)
|
| 1189 |
+
|
| 1190 |
+
|
| 1191 |
+
@router.post("/mri", response_model=PipelineResponse)
|
| 1192 |
+
def run_mri(req: MRIRequest) -> PipelineResponse:
|
| 1193 |
+
return _wrap(
|
| 1194 |
+
"mri_pipeline",
|
| 1195 |
+
Path(req.output_path),
|
| 1196 |
+
lambda: mri_pipeline.run_pipeline(
|
| 1197 |
+
input_dir=Path(req.input_dir),
|
| 1198 |
+
sites_csv=Path(req.sites_csv),
|
| 1199 |
+
output_path=Path(req.output_path),
|
| 1200 |
+
),
|
| 1201 |
+
)
|
| 1202 |
+
```
|
| 1203 |
+
|
| 1204 |
+
> **Verify before writing:** confirm `eeg_pipeline.run_pipeline` and `mri_pipeline.run_pipeline` accept the parameter names used in the lambdas (`l_freq`, `h_freq`, `epoch_duration_sec` for EEG; `input_dir`, `sites_csv`, `output_path` for MRI). Read the actual function signatures first; if names differ, adjust the request schema in `src/api/schemas.py` to match. **Do not invent parameter names.**
|
| 1205 |
+
|
| 1206 |
+
- [ ] **Step 4: Mount router in `src/api/main.py`**
|
| 1207 |
+
|
| 1208 |
+
Edit `src/api/main.py`, after the `app = FastAPI(...)` line:
|
| 1209 |
+
|
| 1210 |
+
```python
|
| 1211 |
+
from src.api.routes import router as pipeline_router
|
| 1212 |
+
|
| 1213 |
+
app.include_router(pipeline_router)
|
| 1214 |
+
```
|
| 1215 |
+
|
| 1216 |
+
- [ ] **Step 5: Run tests**
|
| 1217 |
+
|
| 1218 |
+
```
|
| 1219 |
+
pytest tests/api/ -v
|
| 1220 |
+
```
|
| 1221 |
+
Expected: 8 passed (3 main + 5 routes).
|
| 1222 |
+
|
| 1223 |
+
- [ ] **Step 6: Commit**
|
| 1224 |
+
|
| 1225 |
+
```bash
|
| 1226 |
+
git add src/api/routes.py src/api/main.py tests/api/test_routes.py
|
| 1227 |
+
git commit -m "feat(api): POST /pipeline/{bbb,eeg,mri} dispatch routes"
|
| 1228 |
+
```
|
| 1229 |
+
|
| 1230 |
+
---
|
| 1231 |
+
|
| 1232 |
+
## Task 9: Dockerfile + docker-compose.yml
|
| 1233 |
+
|
| 1234 |
+
**Why this task:** Single-command boot for FastAPI + MLflow tracking server. Judges run `docker compose up`, browse to localhost:8000 / localhost:5000, see the system live.
|
| 1235 |
+
|
| 1236 |
+
**Files:**
|
| 1237 |
+
- Create: `Dockerfile`
|
| 1238 |
+
- Create: `docker-compose.yml`
|
| 1239 |
+
- Create: `.dockerignore`
|
| 1240 |
+
|
| 1241 |
+
- [ ] **Step 1: Write `.dockerignore`**
|
| 1242 |
+
|
| 1243 |
+
```
|
| 1244 |
+
.venv/
|
| 1245 |
+
.venv312/
|
| 1246 |
+
__pycache__/
|
| 1247 |
+
*.pyc
|
| 1248 |
+
.pytest_cache/
|
| 1249 |
+
.mypy_cache/
|
| 1250 |
+
data/raw/*
|
| 1251 |
+
data/processed/*
|
| 1252 |
+
mlruns/
|
| 1253 |
+
.git/
|
| 1254 |
+
docs/
|
| 1255 |
+
tests/
|
| 1256 |
+
```
|
| 1257 |
+
|
| 1258 |
+
- [ ] **Step 2: Write `Dockerfile`**
|
| 1259 |
+
|
| 1260 |
+
```dockerfile
|
| 1261 |
+
# NeuroBridge Enterprise — multi-stage build, FastAPI + pipeline runtime image.
|
| 1262 |
+
# Python 3.12 because RDKit / scikit-learn / numpy pins ship cp310-cp312 wheels only.
|
| 1263 |
+
FROM python:3.12-slim AS runtime
|
| 1264 |
+
|
| 1265 |
+
# System deps required by RDKit (libxrender, libxext) and nibabel/MNE
|
| 1266 |
+
# (libgomp). Slim base lacks them.
|
| 1267 |
+
RUN apt-get update && apt-get install -y --no-install-recommends \
|
| 1268 |
+
libxrender1 \
|
| 1269 |
+
libxext6 \
|
| 1270 |
+
libgomp1 \
|
| 1271 |
+
&& rm -rf /var/lib/apt/lists/*
|
| 1272 |
+
|
| 1273 |
+
WORKDIR /app
|
| 1274 |
+
|
| 1275 |
+
# Install dependencies first so the layer is cached when only source changes.
|
| 1276 |
+
COPY requirements.txt .
|
| 1277 |
+
RUN pip install --no-cache-dir -r requirements.txt
|
| 1278 |
+
|
| 1279 |
+
COPY src/ src/
|
| 1280 |
+
COPY AGENTS.md README.md ./
|
| 1281 |
+
|
| 1282 |
+
# Determinism env vars baked in (the pipelines re-pin defensively but
|
| 1283 |
+
# baking them avoids a brief race on container start).
|
| 1284 |
+
ENV OMP_NUM_THREADS=1 \
|
| 1285 |
+
OPENBLAS_NUM_THREADS=1 \
|
| 1286 |
+
MKL_NUM_THREADS=1 \
|
| 1287 |
+
PYTHONUNBUFFERED=1
|
| 1288 |
+
|
| 1289 |
+
EXPOSE 8000
|
| 1290 |
+
CMD ["uvicorn", "src.api.main:app", "--host", "0.0.0.0", "--port", "8000"]
|
| 1291 |
+
```
|
| 1292 |
+
|
| 1293 |
+
- [ ] **Step 3: Write `docker-compose.yml`**
|
| 1294 |
+
|
| 1295 |
+
```yaml
|
| 1296 |
+
services:
|
| 1297 |
+
mlflow:
|
| 1298 |
+
image: ghcr.io/mlflow/mlflow:v2.16.0
|
| 1299 |
+
command: >
|
| 1300 |
+
mlflow server
|
| 1301 |
+
--host 0.0.0.0
|
| 1302 |
+
--port 5000
|
| 1303 |
+
--backend-store-uri /mlflow/mlruns
|
| 1304 |
+
--default-artifact-root /mlflow/mlruns
|
| 1305 |
+
ports:
|
| 1306 |
+
- "5000:5000"
|
| 1307 |
+
volumes:
|
| 1308 |
+
- mlflow-data:/mlflow/mlruns
|
| 1309 |
+
|
| 1310 |
+
api:
|
| 1311 |
+
build: .
|
| 1312 |
+
ports:
|
| 1313 |
+
- "8000:8000"
|
| 1314 |
+
environment:
|
| 1315 |
+
MLFLOW_TRACKING_URI: http://mlflow:5000
|
| 1316 |
+
depends_on:
|
| 1317 |
+
- mlflow
|
| 1318 |
+
volumes:
|
| 1319 |
+
- ./data:/app/data
|
| 1320 |
+
|
| 1321 |
+
volumes:
|
| 1322 |
+
mlflow-data:
|
| 1323 |
+
```
|
| 1324 |
+
|
| 1325 |
+
- [ ] **Step 4: Validate compose syntax**
|
| 1326 |
+
|
| 1327 |
+
```
|
| 1328 |
+
docker compose config
|
| 1329 |
+
```
|
| 1330 |
+
Expected: prints the resolved YAML with no errors. (Skip this step if Docker is not installed locally; the file syntax is straightforward.)
|
| 1331 |
+
|
| 1332 |
+
- [ ] **Step 5: Commit**
|
| 1333 |
+
|
| 1334 |
+
```bash
|
| 1335 |
+
git add Dockerfile docker-compose.yml .dockerignore
|
| 1336 |
+
git commit -m "feat(deploy): Dockerfile + compose for api + mlflow server"
|
| 1337 |
+
```
|
| 1338 |
+
|
| 1339 |
+
---
|
| 1340 |
+
|
| 1341 |
+
## Task 10: Streamlit B2B dashboard
|
| 1342 |
+
|
| 1343 |
+
**Why this task:** The hackathon judges' first impression. Three tabs (Molecule / Signal / Image), each fires a POST to the FastAPI surface and shows the result + an MLflow link.
|
| 1344 |
+
|
| 1345 |
+
**Files:**
|
| 1346 |
+
- Modify: `requirements.txt` (add `streamlit==1.39.0`)
|
| 1347 |
+
- Create: `src/frontend/__init__.py`
|
| 1348 |
+
- Create: `src/frontend/app.py`
|
| 1349 |
+
- Create: `tests/frontend/__init__.py`
|
| 1350 |
+
- Create: `tests/frontend/test_app_import.py`
|
| 1351 |
+
|
| 1352 |
+
- [ ] **Step 1: Add streamlit to requirements**
|
| 1353 |
+
|
| 1354 |
+
In `requirements.txt`, after the `# --- Tooling / tests ---` block (or under a new `# --- Frontend ---` block):
|
| 1355 |
+
|
| 1356 |
+
```
|
| 1357 |
+
# --- Frontend (B2B dashboard) ---
|
| 1358 |
+
streamlit==1.39.0
|
| 1359 |
+
```
|
| 1360 |
+
|
| 1361 |
+
Run: `pip install -r requirements.txt` to install it locally.
|
| 1362 |
+
|
| 1363 |
+
- [ ] **Step 2: Write smoke import test**
|
| 1364 |
+
|
| 1365 |
+
Create `tests/frontend/__init__.py` (empty).
|
| 1366 |
+
|
| 1367 |
+
Create `tests/frontend/test_app_import.py`:
|
| 1368 |
+
|
| 1369 |
+
```python
|
| 1370 |
+
"""Smoke-test that the Streamlit app module imports cleanly.
|
| 1371 |
+
|
| 1372 |
+
Streamlit UIs are hard to unit-test without `streamlit.testing` (which
|
| 1373 |
+
spawns a headless app); for hackathon scope we settle for a clean import
|
| 1374 |
+
+ presence of the page-config call. Manual UX testing via `streamlit run`.
|
| 1375 |
+
"""
|
| 1376 |
+
from __future__ import annotations
|
| 1377 |
+
|
| 1378 |
+
|
| 1379 |
+
def test_app_module_imports():
|
| 1380 |
+
from src.frontend import app # noqa: F401
|
| 1381 |
+
|
| 1382 |
+
|
| 1383 |
+
def test_app_module_defines_main():
|
| 1384 |
+
from src.frontend import app
|
| 1385 |
+
assert hasattr(app, "main")
|
| 1386 |
+
assert callable(app.main)
|
| 1387 |
+
```
|
| 1388 |
+
|
| 1389 |
+
- [ ] **Step 3: Run failing test**
|
| 1390 |
+
|
| 1391 |
+
```
|
| 1392 |
+
pytest tests/frontend/ -v
|
| 1393 |
+
```
|
| 1394 |
+
Expected: ImportError.
|
| 1395 |
+
|
| 1396 |
+
- [ ] **Step 4: Implement `src/frontend/__init__.py`** (empty file).
|
| 1397 |
+
|
| 1398 |
+
- [ ] **Step 5: Implement `src/frontend/app.py`**
|
| 1399 |
+
|
| 1400 |
+
```python
|
| 1401 |
+
"""NeuroBridge Enterprise — Streamlit B2B dashboard.
|
| 1402 |
+
|
| 1403 |
+
Three tabs (Molecule / Signal / Image), each fires a POST request against the
|
| 1404 |
+
sibling FastAPI service and renders a result card with row counts, runtime,
|
| 1405 |
+
and a link to the corresponding MLflow run.
|
| 1406 |
+
|
| 1407 |
+
Launch: `streamlit run src/frontend/app.py`
|
| 1408 |
+
"""
|
| 1409 |
+
from __future__ import annotations
|
| 1410 |
+
|
| 1411 |
+
import os
|
| 1412 |
+
|
| 1413 |
+
import httpx
|
| 1414 |
+
import streamlit as st
|
| 1415 |
+
|
| 1416 |
+
|
| 1417 |
+
_API_URL = os.environ.get("NEUROBRIDGE_API_URL", "http://localhost:8000")
|
| 1418 |
+
_MLFLOW_URL = os.environ.get("MLFLOW_TRACKING_URI", "http://localhost:5000")
|
| 1419 |
+
|
| 1420 |
+
|
| 1421 |
+
def _post(endpoint: str, payload: dict) -> dict:
|
| 1422 |
+
resp = httpx.post(f"{_API_URL}{endpoint}", json=payload, timeout=120.0)
|
| 1423 |
+
resp.raise_for_status()
|
| 1424 |
+
return resp.json()
|
| 1425 |
+
|
| 1426 |
+
|
| 1427 |
+
def _render_result(body: dict) -> None:
|
| 1428 |
+
cols = st.columns(3)
|
| 1429 |
+
cols[0].metric("Rows", body["rows"])
|
| 1430 |
+
cols[1].metric("Columns", body["columns"])
|
| 1431 |
+
cols[2].metric("Runtime (sec)", f"{body['duration_sec']:.2f}")
|
| 1432 |
+
st.success(f"Wrote: `{body['output_path']}`")
|
| 1433 |
+
if body.get("mlflow_run_id"):
|
| 1434 |
+
st.markdown(
|
| 1435 |
+
f"**MLflow run:** [{body['mlflow_run_id']}]"
|
| 1436 |
+
f"({_MLFLOW_URL}/#/experiments/0/runs/{body['mlflow_run_id']})"
|
| 1437 |
+
)
|
| 1438 |
+
|
| 1439 |
+
|
| 1440 |
+
def main() -> None:
|
| 1441 |
+
st.set_page_config(
|
| 1442 |
+
page_title="NeuroBridge Enterprise",
|
| 1443 |
+
page_icon="🧠",
|
| 1444 |
+
layout="wide",
|
| 1445 |
+
)
|
| 1446 |
+
st.title("NeuroBridge Enterprise")
|
| 1447 |
+
st.caption(
|
| 1448 |
+
"Three-modality clinical ML platform — solving Data Drift, "
|
| 1449 |
+
"Missing Modalities, and Artifacts."
|
| 1450 |
+
)
|
| 1451 |
+
|
| 1452 |
+
bbb_tab, eeg_tab, mri_tab = st.tabs([
|
| 1453 |
+
"🧪 Molecule (BBB)",
|
| 1454 |
+
"🧠 Signal (EEG)",
|
| 1455 |
+
"📷 Image (MRI)",
|
| 1456 |
+
])
|
| 1457 |
+
|
| 1458 |
+
with bbb_tab:
|
| 1459 |
+
st.subheader("Blood-Brain-Barrier penetration — Morgan fingerprint")
|
| 1460 |
+
bbb_in = st.text_input("Input CSV path", "data/raw/bbbp.csv")
|
| 1461 |
+
bbb_out = st.text_input("Output Parquet path", "data/processed/bbbp_features.parquet")
|
| 1462 |
+
if st.button("Run BBB Pipeline"):
|
| 1463 |
+
with st.spinner("Computing fingerprints..."):
|
| 1464 |
+
_render_result(_post("/pipeline/bbb", {
|
| 1465 |
+
"input_path": bbb_in, "output_path": bbb_out,
|
| 1466 |
+
}))
|
| 1467 |
+
|
| 1468 |
+
with eeg_tab:
|
| 1469 |
+
st.subheader("EEG — bandpass + ICA artifact removal")
|
| 1470 |
+
eeg_in = st.text_input("Input FIF/EDF path", "data/raw/eeg.fif")
|
| 1471 |
+
eeg_out = st.text_input("Output Parquet path", "data/processed/eeg_features.parquet")
|
| 1472 |
+
if st.button("Run EEG Pipeline"):
|
| 1473 |
+
with st.spinner("Filtering + ICA..."):
|
| 1474 |
+
_render_result(_post("/pipeline/eeg", {
|
| 1475 |
+
"input_path": eeg_in, "output_path": eeg_out,
|
| 1476 |
+
}))
|
| 1477 |
+
|
| 1478 |
+
with mri_tab:
|
| 1479 |
+
st.subheader("MRI — site-level ComBat harmonization")
|
| 1480 |
+
mri_dir = st.text_input("Input NIfTI dir", "data/raw/mri/")
|
| 1481 |
+
sites_csv = st.text_input("Sites CSV", "data/raw/mri/sites.csv")
|
| 1482 |
+
mri_out = st.text_input("Output Parquet path", "data/processed/mri_features.parquet")
|
| 1483 |
+
if st.button("Run MRI Pipeline"):
|
| 1484 |
+
with st.spinner("Masking + ComBat..."):
|
| 1485 |
+
_render_result(_post("/pipeline/mri", {
|
| 1486 |
+
"input_dir": mri_dir,
|
| 1487 |
+
"sites_csv": sites_csv,
|
| 1488 |
+
"output_path": mri_out,
|
| 1489 |
+
}))
|
| 1490 |
+
|
| 1491 |
+
|
| 1492 |
+
if __name__ == "__main__":
|
| 1493 |
+
main()
|
| 1494 |
+
```
|
| 1495 |
+
|
| 1496 |
+
- [ ] **Step 6: Run tests**
|
| 1497 |
+
|
| 1498 |
+
```
|
| 1499 |
+
pytest tests/frontend/ -v
|
| 1500 |
+
```
|
| 1501 |
+
Expected: 2 passed.
|
| 1502 |
+
|
| 1503 |
+
- [ ] **Step 7: Smoke-launch Streamlit (manual)**
|
| 1504 |
+
|
| 1505 |
+
```
|
| 1506 |
+
streamlit run src/frontend/app.py
|
| 1507 |
+
```
|
| 1508 |
+
Open <http://localhost:8501>, click each tab. Expect: page loads, three tabs visible, Run buttons present (clicking will fail without the FastAPI service running — that's fine, this is a UI render check).
|
| 1509 |
+
|
| 1510 |
+
- [ ] **Step 8: Commit**
|
| 1511 |
+
|
| 1512 |
+
```bash
|
| 1513 |
+
git add requirements.txt src/frontend/__init__.py src/frontend/app.py \
|
| 1514 |
+
tests/frontend/__init__.py tests/frontend/test_app_import.py
|
| 1515 |
+
git commit -m "feat(frontend): Streamlit dashboard with 3 modality tabs"
|
| 1516 |
+
```
|
| 1517 |
+
|
| 1518 |
+
---
|
| 1519 |
+
|
| 1520 |
+
## Task 11: AGENTS.md + README.md updates + final DoD
|
| 1521 |
+
|
| 1522 |
+
**Why this task:** Document the new layers in the contract file and roadmap. Run the full smoke verification one more time. Tag the commit.
|
| 1523 |
+
|
| 1524 |
+
**Files:**
|
| 1525 |
+
- Modify: `AGENTS.md` (§2 directory tree, new sub-section in §6 about MLflow tracking)
|
| 1526 |
+
- Modify: `README.md` (status table + Quick Start + Day-4 in roadmap)
|
| 1527 |
+
|
| 1528 |
+
- [ ] **Step 1: Update `AGENTS.md`**
|
| 1529 |
+
|
| 1530 |
+
In §2 Directory Layout, add `src/frontend/` and the new `src/core/{determinism,storage,tracking}.py` files. Add an entry for `Dockerfile` and `docker-compose.yml`.
|
| 1531 |
+
|
| 1532 |
+
After §6 Storage Format Convention, add §7:
|
| 1533 |
+
|
| 1534 |
+
```markdown
|
| 1535 |
+
## 7. Experiment Tracking
|
| 1536 |
+
|
| 1537 |
+
Every `run_pipeline()` invocation logs to MLflow via `src.core.tracking.track_pipeline_run`:
|
| 1538 |
+
- **Experiment names** are the pipeline module name (`bbb_pipeline`, `eeg_pipeline`, `mri_pipeline`).
|
| 1539 |
+
- **Params**: input/output paths and pipeline hyperparameters.
|
| 1540 |
+
- **Metrics**: row counts (in/out/dropped) and `duration_sec`.
|
| 1541 |
+
- **Artifact**: the output Parquet at `data/processed/<modality>_features.parquet`.
|
| 1542 |
+
|
| 1543 |
+
The tracking URI is read from `MLFLOW_TRACKING_URI` (defaults to `./mlruns/` when unset).
|
| 1544 |
+
Set `NEUROBRIDGE_DISABLE_MLFLOW=1` to skip tracking entirely (offline / CI fallback).
|
| 1545 |
+
|
| 1546 |
+
The repo-wide `conftest.py` autouse fixture pins `MLFLOW_TRACKING_URI` to a tmp dir for tests
|
| 1547 |
+
so the production `mlruns/` directory is never written from the test suite.
|
| 1548 |
+
```
|
| 1549 |
+
|
| 1550 |
+
- [ ] **Step 2: Update `README.md`**
|
| 1551 |
+
|
| 1552 |
+
- Status table: replace Day-4 "(planned)" with "Shipped — N tests green" once final count is known.
|
| 1553 |
+
- Add a Quick Start section: `docker compose up`, point browsers at `:8000/docs` (FastAPI Swagger) and `:8501` (Streamlit).
|
| 1554 |
+
- Add to "Where to Look": `docs/superpowers/plans/2026-05-02-day4-api-mlops-frontend.md`, `src/core/{determinism,storage,tracking}.py`, `src/api/`, `src/frontend/`.
|
| 1555 |
+
- Roadmap: mark Day 4 done.
|
| 1556 |
+
|
| 1557 |
+
- [ ] **Step 3: Run full test suite for DoD**
|
| 1558 |
+
|
| 1559 |
+
```
|
| 1560 |
+
pytest -v
|
| 1561 |
+
```
|
| 1562 |
+
Expected: ~136 tests passed total. If any reds, debug before continuing.
|
| 1563 |
+
|
| 1564 |
+
- [ ] **Step 4: Verify three CLI smoke runs still produce identical Parquets**
|
| 1565 |
+
|
| 1566 |
+
```
|
| 1567 |
+
md5 data/processed/bbbp_features.parquet
|
| 1568 |
+
md5 data/processed/eeg_features.parquet
|
| 1569 |
+
md5 data/processed/mri_features.parquet
|
| 1570 |
+
python -m src.pipelines.bbb_pipeline
|
| 1571 |
+
python -m src.pipelines.eeg_pipeline
|
| 1572 |
+
python -m src.pipelines.mri_pipeline
|
| 1573 |
+
md5 data/processed/bbbp_features.parquet
|
| 1574 |
+
md5 data/processed/eeg_features.parquet
|
| 1575 |
+
md5 data/processed/mri_features.parquet
|
| 1576 |
+
```
|
| 1577 |
+
Expected: each MD5 unchanged across runs (idempotent / byte-deterministic preserved).
|
| 1578 |
+
|
| 1579 |
+
- [ ] **Step 5: Verify FastAPI surface end-to-end (manual)**
|
| 1580 |
+
|
| 1581 |
+
```
|
| 1582 |
+
uvicorn src.api.main:app --port 8000 &
|
| 1583 |
+
curl -s http://localhost:8000/health | jq
|
| 1584 |
+
curl -s -X POST http://localhost:8000/pipeline/bbb \
|
| 1585 |
+
-H 'Content-Type: application/json' \
|
| 1586 |
+
-d '{"input_path": "data/raw/bbbp.csv", "output_path": "/tmp/bbb.parquet"}' | jq
|
| 1587 |
+
```
|
| 1588 |
+
Expected: 200 with `{"status":"ok", "rows": >0, ...}`. Kill the uvicorn process when done.
|
| 1589 |
+
|
| 1590 |
+
- [ ] **Step 6: Final commit**
|
| 1591 |
+
|
| 1592 |
+
```bash
|
| 1593 |
+
git add AGENTS.md README.md
|
| 1594 |
+
git commit -m "docs: Day-4 close-out — AGENTS §7 tracking, README MLOps surface"
|
| 1595 |
+
```
|
| 1596 |
+
|
| 1597 |
+
---
|
| 1598 |
+
|
| 1599 |
+
## Definition of Done (Day 4)
|
| 1600 |
+
|
| 1601 |
+
| Check | Pass criterion |
|
| 1602 |
+
|---|---|
|
| 1603 |
+
| All tests green | `pytest -v` reports ~136 passed |
|
| 1604 |
+
| `src/core/{determinism,storage,tracking}.py` exist with their own test files | yes |
|
| 1605 |
+
| BBB / EEG / MRI pipelines all use `pin_threads()` + `write_parquet()` (no duplicate inline blocks) | grep verifies |
|
| 1606 |
+
| BBB / EEG / MRI pipelines all log to MLflow under their `<modality>_pipeline` experiment | mlflow.search_runs returns ≥1 per pipeline |
|
| 1607 |
+
| `POST /pipeline/{bbb,eeg,mri}` route works with FastAPI `TestClient` | tests/api/test_routes.py green |
|
| 1608 |
+
| `streamlit run src/frontend/app.py` renders 3 tabs without crashing | manual smoke |
|
| 1609 |
+
| `docker compose config` parses cleanly | yes |
|
| 1610 |
+
| Existing 106 tests still green (no regressions from refactor) | yes |
|
| 1611 |
+
| Output Parquets remain byte-identical across runs | md5 stable |
|
| 1612 |
+
| AGENTS.md §7 documents the MLflow contract | yes |
|
| 1613 |
+
|
| 1614 |
+
When all rows are green, push: `git push origin main`. Day 5 (production hardening: rate limits, OpenAPI auth, tracing) becomes optional polish on top of an already shippable system.
|