Route predict output to UUID-named parquet with YAML reference sidecar

When no --out is given, predictions are written to a UUID-named parquet
(/ceph central store for ceph inputs, sibling directory otherwise) and a
YAML reference file is created next to the checkpoint recording the output
path, dataset, checkpoint, and timestamp. Adds pyyaml as a core dependency
and unit tests for the two new helper functions.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
This commit is contained in:
2026-06-29 09:57:14 +02:00
parent caaf3c6102
commit c627142135
4 changed files with 228 additions and 6 deletions
+48 -6
View File
@@ -1,9 +1,12 @@
from collections import Counter
from datetime import datetime, timezone
from enum import Enum
from pathlib import Path
from typing import Optional
import uuid as uuid_mod
import numpy as np
import yaml
import torch
import typer
from typing_extensions import Annotated
@@ -39,6 +42,46 @@ from giant.sample import sample_flow
app = typer.Typer(no_args_is_help=True)
_CEPH_PREDICTIONS = Path("/ceph/lbogner/geant_steps/predictions")
def _resolve_prediction_output(
data: Path, out: Path | None
) -> tuple[Path, Path, str]:
"""Return (out_path, resolved_dataset_path, pred_uuid).
When *out* is None the output path is derived from *data*:
- under /ceph/ → fixed central store with a UUID filename
- elsewhere → sibling of *data* with a UUID filename
"""
dataset_path = data.resolve()
pred_uuid = str(uuid_mod.uuid4())
if out is None:
if str(dataset_path).startswith("/ceph/"):
out = _CEPH_PREDICTIONS / f"{pred_uuid}.parquet"
else:
out = data.parent / f"{pred_uuid}.parquet"
return out, dataset_path, pred_uuid
def _write_prediction_ref(
checkpoint: Path,
pred_uuid: str,
out: Path,
dataset_path: Path,
) -> Path:
"""Write a YAML sidecar in the checkpoint directory and return its path."""
ref = {
"prediction_id": pred_uuid,
"output": str(out),
"dataset": str(dataset_path),
"checkpoint": str(checkpoint.resolve()),
"timestamp": datetime.now(timezone.utc).isoformat(),
}
ref_path = checkpoint.parent / f"{pred_uuid}.yaml"
ref_path.write_text(yaml.dump(ref, default_flow_style=False, sort_keys=False))
return ref_path
@app.callback()
def _main() -> None:
@@ -331,12 +374,8 @@ def predict(
gconfig.warn_if_checkpoint_config_mismatch(checkpoint)
# --- Output path ---
if out is None:
stem = data.stem if data.is_file() else data.name
suffix = (
"_predicted_local.parquet" if coord == Coord.local else "_predicted.parquet"
)
out = data.parent / f"{stem}{suffix}"
out, dataset_path, pred_uuid = _resolve_prediction_output(data, out)
out.parent.mkdir(parents=True, exist_ok=True)
typer.echo(f"output: {out}")
# --- Stream input, generate predictions, write output ---
@@ -494,6 +533,9 @@ def predict(
if writer is not None:
writer.close()
ref_path = _write_prediction_ref(checkpoint, pred_uuid, out, dataset_path)
typer.echo(f"reference: {ref_path}")
if skipped:
codes = ", ".join(
f"{pdg} ({count})" for pdg, count in sorted(unknown_pdg_counts.items())
+1
View File
@@ -10,6 +10,7 @@ dependencies = [
"pyarrow>=16,<25",
"tqdm>=4.60,<5",
"typer>=0.12,<1",
"pyyaml>=6,<7",
]
[project.optional-dependencies]
+131
View File
@@ -0,0 +1,131 @@
import uuid
import yaml
from giant.cli import _CEPH_PREDICTIONS, _resolve_prediction_output, _write_prediction_ref
# ---------------------------------------------------------------------------
# _resolve_prediction_output
# ---------------------------------------------------------------------------
def test_non_ceph_path_goes_to_data_parent(tmp_path):
data = tmp_path / "pools" / "pbwo4" / "full.manifest"
out, dataset_path, pred_uuid = _resolve_prediction_output(data, None)
assert out.parent == data.parent
assert out.name == f"{pred_uuid}.parquet"
assert dataset_path == data.resolve()
def test_ceph_path_goes_to_central_store(tmp_path, monkeypatch):
# Patch resolve() so /ceph/... exists on any machine running the tests.
ceph_data = _CEPH_PREDICTIONS.parent / "pools" / "pbwo4" / "full.manifest"
monkeypatch.setattr(
"giant.cli.Path.resolve",
lambda self: ceph_data if self == ceph_data else self.absolute(),
)
out, _, pred_uuid = _resolve_prediction_output(ceph_data, None)
assert out.parent == _CEPH_PREDICTIONS
assert out.name == f"{pred_uuid}.parquet"
def test_explicit_out_is_used_as_is(tmp_path):
data = tmp_path / "data.parquet"
explicit = tmp_path / "my_output.parquet"
out, _, _ = _resolve_prediction_output(data, explicit)
assert out == explicit
def test_uuid_is_valid(tmp_path):
data = tmp_path / "data.parquet"
_, _, pred_uuid = _resolve_prediction_output(data, None)
parsed = uuid.UUID(pred_uuid)
assert parsed.version == 4
def test_each_call_produces_a_distinct_uuid(tmp_path):
data = tmp_path / "data.parquet"
_, _, uuid1 = _resolve_prediction_output(data, None)
_, _, uuid2 = _resolve_prediction_output(data, None)
assert uuid1 != uuid2
def test_dataset_path_is_resolved(tmp_path):
data = tmp_path / "data.parquet"
_, dataset_path, _ = _resolve_prediction_output(data, None)
assert dataset_path.is_absolute()
# ---------------------------------------------------------------------------
# _write_prediction_ref
# ---------------------------------------------------------------------------
def test_ref_file_created_in_checkpoint_dir(tmp_path):
ckpt_dir = tmp_path / "checkpoints" / "run1"
ckpt_dir.mkdir(parents=True)
checkpoint = ckpt_dir / "best.pt"
checkpoint.touch()
out = tmp_path / "predictions" / "abc.parquet"
dataset = tmp_path / "pools" / "pbwo4" / "full.manifest"
pred_uuid = str(uuid.uuid4())
ref_path = _write_prediction_ref(checkpoint, pred_uuid, out, dataset)
assert ref_path == ckpt_dir / f"{pred_uuid}.yaml"
assert ref_path.exists()
def test_ref_yaml_contains_expected_fields(tmp_path):
ckpt_dir = tmp_path / "checkpoints"
ckpt_dir.mkdir()
checkpoint = ckpt_dir / "best.pt"
checkpoint.touch()
out = tmp_path / "pred.parquet"
dataset = tmp_path / "full.manifest"
pred_uuid = str(uuid.uuid4())
ref_path = _write_prediction_ref(checkpoint, pred_uuid, out, dataset)
data = yaml.safe_load(ref_path.read_text())
assert data["prediction_id"] == pred_uuid
assert data["output"] == str(out)
assert data["dataset"] == str(dataset)
assert data["checkpoint"] == str(checkpoint.resolve())
assert "timestamp" in data
def test_ref_timestamp_is_iso_format(tmp_path):
from datetime import datetime
ckpt_dir = tmp_path / "checkpoints"
ckpt_dir.mkdir()
checkpoint = ckpt_dir / "best.pt"
checkpoint.touch()
pred_uuid = str(uuid.uuid4())
ref_path = _write_prediction_ref(checkpoint, pred_uuid, tmp_path / "p.parquet", tmp_path / "d")
data = yaml.safe_load(ref_path.read_text())
# Must parse without error and be timezone-aware (UTC).
ts = datetime.fromisoformat(data["timestamp"])
assert ts.tzinfo is not None
def test_ref_checkpoint_path_is_absolute(tmp_path):
ckpt_dir = tmp_path / "checkpoints"
ckpt_dir.mkdir()
checkpoint = ckpt_dir / "best.pt"
checkpoint.touch()
pred_uuid = str(uuid.uuid4())
ref_path = _write_prediction_ref(checkpoint, pred_uuid, tmp_path / "p.parquet", tmp_path / "d")
data = yaml.safe_load(ref_path.read_text())
assert data["checkpoint"].startswith("/")
Generated
+48
View File
@@ -440,6 +440,7 @@ dependencies = [
{ name = "numpy" },
{ name = "pandas" },
{ name = "pyarrow" },
{ name = "pyyaml" },
{ name = "tqdm" },
{ name = "typer" },
]
@@ -479,6 +480,7 @@ requires-dist = [
{ name = "polars", marker = "extra == 'convert'", specifier = ">=1.0,<2" },
{ name = "pyarrow", specifier = ">=16,<25" },
{ name = "pytest", marker = "extra == 'dev'", specifier = ">=8,<10" },
{ name = "pyyaml", specifier = ">=6,<7" },
{ name = "ruff", marker = "extra == 'dev'", specifier = ">=0.15,<1" },
{ name = "torch", marker = "extra == 'cpu'", specifier = ">=2.3,<2.4", index = "https://download.pytorch.org/whl/cpu", conflict = { package = "giant", extra = "cpu" } },
{ name = "torch", marker = "extra == 'cuda'", specifier = ">=2.3,<2.4", index = "https://download.pytorch.org/whl/cu118", conflict = { package = "giant", extra = "cuda" } },
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