lamindb 1.4.0__py3-none-any.whl → 1.5.1__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- lamindb/__init__.py +52 -36
- lamindb/_finish.py +17 -10
- lamindb/_tracked.py +1 -1
- lamindb/base/__init__.py +3 -1
- lamindb/base/fields.py +40 -22
- lamindb/base/ids.py +1 -94
- lamindb/base/types.py +2 -0
- lamindb/base/uids.py +117 -0
- lamindb/core/_context.py +203 -102
- lamindb/core/_settings.py +38 -25
- lamindb/core/datasets/__init__.py +11 -4
- lamindb/core/datasets/_core.py +5 -5
- lamindb/core/datasets/_small.py +0 -93
- lamindb/core/datasets/mini_immuno.py +172 -0
- lamindb/core/loaders.py +1 -1
- lamindb/core/storage/_backed_access.py +100 -6
- lamindb/core/storage/_polars_lazy_df.py +51 -0
- lamindb/core/storage/_pyarrow_dataset.py +15 -30
- lamindb/core/storage/_tiledbsoma.py +29 -13
- lamindb/core/storage/objects.py +6 -0
- lamindb/core/subsettings/__init__.py +2 -0
- lamindb/core/subsettings/_annotation_settings.py +11 -0
- lamindb/curators/__init__.py +7 -3349
- lamindb/curators/_legacy.py +2056 -0
- lamindb/curators/core.py +1534 -0
- lamindb/errors.py +11 -0
- lamindb/examples/__init__.py +27 -0
- lamindb/examples/schemas/__init__.py +12 -0
- lamindb/examples/schemas/_anndata.py +25 -0
- lamindb/examples/schemas/_simple.py +19 -0
- lamindb/integrations/_vitessce.py +8 -5
- lamindb/migrations/0091_alter_featurevalue_options_alter_space_options_and_more.py +24 -0
- lamindb/migrations/0092_alter_artifactfeaturevalue_artifact_and_more.py +75 -0
- lamindb/migrations/0093_alter_schemacomponent_unique_together.py +16 -0
- lamindb/models/__init__.py +4 -1
- lamindb/models/_describe.py +21 -4
- lamindb/models/_feature_manager.py +382 -287
- lamindb/models/_label_manager.py +8 -2
- lamindb/models/artifact.py +177 -106
- lamindb/models/artifact_set.py +122 -0
- lamindb/models/collection.py +73 -52
- lamindb/models/core.py +1 -1
- lamindb/models/feature.py +51 -17
- lamindb/models/has_parents.py +69 -14
- lamindb/models/project.py +1 -1
- lamindb/models/query_manager.py +221 -22
- lamindb/models/query_set.py +247 -172
- lamindb/models/record.py +65 -247
- lamindb/models/run.py +4 -4
- lamindb/models/save.py +8 -2
- lamindb/models/schema.py +456 -184
- lamindb/models/transform.py +2 -2
- lamindb/models/ulabel.py +8 -5
- {lamindb-1.4.0.dist-info → lamindb-1.5.1.dist-info}/METADATA +6 -6
- {lamindb-1.4.0.dist-info → lamindb-1.5.1.dist-info}/RECORD +57 -43
- {lamindb-1.4.0.dist-info → lamindb-1.5.1.dist-info}/LICENSE +0 -0
- {lamindb-1.4.0.dist-info → lamindb-1.5.1.dist-info}/WHEEL +0 -0
lamindb/curators/__init__.py
CHANGED
@@ -5,3362 +5,20 @@
|
|
5
5
|
|
6
6
|
DataFrameCurator
|
7
7
|
AnnDataCurator
|
8
|
-
MuDataCurator
|
9
8
|
SpatialDataCurator
|
9
|
+
MuDataCurator
|
10
10
|
|
11
|
-
|
11
|
+
Modules.
|
12
12
|
|
13
13
|
.. autosummary::
|
14
14
|
:toctree: .
|
15
15
|
|
16
|
-
|
17
|
-
SlotsCurator
|
18
|
-
CatManager
|
19
|
-
CatLookup
|
20
|
-
DataFrameCatManager
|
21
|
-
AnnDataCatManager
|
22
|
-
MuDataCatManager
|
23
|
-
SpatialDataCatManager
|
24
|
-
TiledbsomaCatManager
|
16
|
+
core
|
25
17
|
|
26
18
|
"""
|
27
19
|
|
28
|
-
from
|
29
|
-
|
30
|
-
|
31
|
-
import re
|
32
|
-
from itertools import chain
|
33
|
-
from typing import TYPE_CHECKING, Any, Callable, Literal
|
34
|
-
|
35
|
-
import anndata as ad
|
36
|
-
import lamindb_setup as ln_setup
|
37
|
-
import pandas as pd
|
38
|
-
import pandera
|
39
|
-
import pyarrow as pa
|
40
|
-
from lamin_utils import colors, logger
|
41
|
-
from lamindb_setup.core import deprecated
|
42
|
-
from lamindb_setup.core._docs import doc_args
|
43
|
-
from lamindb_setup.core.upath import UPath
|
44
|
-
|
45
|
-
from lamindb.core._compat import is_package_installed
|
46
|
-
|
47
|
-
if TYPE_CHECKING:
|
48
|
-
from lamindb_setup.core.types import UPathStr
|
49
|
-
from mudata import MuData
|
50
|
-
from spatialdata import SpatialData
|
51
|
-
|
52
|
-
from lamindb.core.types import ScverseDataStructures
|
53
|
-
from lamindb.models import Record
|
54
|
-
from lamindb.base.types import FieldAttr # noqa
|
55
|
-
from lamindb.core._settings import settings
|
56
|
-
from lamindb.models import (
|
57
|
-
Artifact,
|
58
|
-
Feature,
|
59
|
-
Record,
|
60
|
-
Run,
|
61
|
-
Schema,
|
62
|
-
ULabel,
|
20
|
+
from ._legacy import ( # backward compat
|
21
|
+
CellxGeneAnnDataCatManager,
|
22
|
+
PertAnnDataCatManager,
|
63
23
|
)
|
64
|
-
from
|
65
|
-
add_labels,
|
66
|
-
data_is_anndata,
|
67
|
-
data_is_mudata,
|
68
|
-
data_is_spatialdata,
|
69
|
-
)
|
70
|
-
from lamindb.models.feature import parse_dtype, parse_cat_dtype
|
71
|
-
from lamindb.models._from_values import _format_values
|
72
|
-
|
73
|
-
from ..errors import InvalidArgument, ValidationError
|
74
|
-
from anndata import AnnData
|
75
|
-
|
76
|
-
if TYPE_CHECKING:
|
77
|
-
from collections.abc import Iterable, MutableMapping
|
78
|
-
from typing import Any
|
79
|
-
|
80
|
-
from lamindb_setup.core.types import UPathStr
|
81
|
-
|
82
|
-
from lamindb.models.query_set import RecordList
|
83
|
-
|
84
|
-
|
85
|
-
def strip_ansi_codes(text):
|
86
|
-
# This pattern matches ANSI escape sequences
|
87
|
-
ansi_pattern = re.compile(r"\x1b\[[0-9;]*m")
|
88
|
-
return ansi_pattern.sub("", text)
|
89
|
-
|
90
|
-
|
91
|
-
class CatLookup:
|
92
|
-
"""Lookup categories from the reference instance.
|
93
|
-
|
94
|
-
Args:
|
95
|
-
categoricals: A dictionary of categorical fields to lookup.
|
96
|
-
slots: A dictionary of slot fields to lookup.
|
97
|
-
public: Whether to lookup from the public instance. Defaults to False.
|
98
|
-
|
99
|
-
Example::
|
100
|
-
|
101
|
-
curator = ln.curators.DataFrameCurator(...)
|
102
|
-
curator.cat.lookup()["cell_type"].alveolar_type_1_fibroblast_cell
|
103
|
-
|
104
|
-
"""
|
105
|
-
|
106
|
-
def __init__(
|
107
|
-
self,
|
108
|
-
categoricals: list[Feature] | dict[str, FieldAttr],
|
109
|
-
slots: dict[str, FieldAttr] = None,
|
110
|
-
public: bool = False,
|
111
|
-
sources: dict[str, Record] | None = None,
|
112
|
-
) -> None:
|
113
|
-
slots = slots or {}
|
114
|
-
if isinstance(categoricals, list):
|
115
|
-
categoricals = {
|
116
|
-
feature.name: parse_dtype(feature.dtype)[0]["field"]
|
117
|
-
for feature in categoricals
|
118
|
-
}
|
119
|
-
self._categoricals = {**categoricals, **slots}
|
120
|
-
self._public = public
|
121
|
-
self._sources = sources
|
122
|
-
|
123
|
-
def __getattr__(self, name):
|
124
|
-
if name in self._categoricals:
|
125
|
-
registry = self._categoricals[name].field.model
|
126
|
-
if self._public and hasattr(registry, "public"):
|
127
|
-
return registry.public(source=self._sources.get(name)).lookup()
|
128
|
-
else:
|
129
|
-
return registry.lookup()
|
130
|
-
raise AttributeError(
|
131
|
-
f'"{self.__class__.__name__}" object has no attribute "{name}"'
|
132
|
-
)
|
133
|
-
|
134
|
-
def __getitem__(self, name):
|
135
|
-
if name in self._categoricals:
|
136
|
-
registry = self._categoricals[name].field.model
|
137
|
-
if self._public and hasattr(registry, "public"):
|
138
|
-
return registry.public(source=self._sources.get(name)).lookup()
|
139
|
-
else:
|
140
|
-
return registry.lookup()
|
141
|
-
raise AttributeError(
|
142
|
-
f'"{self.__class__.__name__}" object has no attribute "{name}"'
|
143
|
-
)
|
144
|
-
|
145
|
-
def __repr__(self) -> str:
|
146
|
-
if len(self._categoricals) > 0:
|
147
|
-
getattr_keys = "\n ".join(
|
148
|
-
[f".{key}" for key in self._categoricals if key.isidentifier()]
|
149
|
-
)
|
150
|
-
getitem_keys = "\n ".join(
|
151
|
-
[str([key]) for key in self._categoricals if not key.isidentifier()]
|
152
|
-
)
|
153
|
-
ref = "public" if self._public else "registries"
|
154
|
-
return (
|
155
|
-
f"Lookup objects from the {colors.italic(ref)}:\n "
|
156
|
-
f"{colors.green(getattr_keys)}\n "
|
157
|
-
f"{colors.green(getitem_keys)}\n"
|
158
|
-
'Example:\n → categories = curator.lookup()["cell_type"]\n'
|
159
|
-
" → categories.alveolar_type_1_fibroblast_cell\n\n"
|
160
|
-
"To look up public ontologies, use .lookup(public=True)"
|
161
|
-
)
|
162
|
-
else: # pragma: no cover
|
163
|
-
return colors.warning("No fields are found!")
|
164
|
-
|
165
|
-
|
166
|
-
CAT_MANAGER_DOCSTRING = """Manage categoricals by updating registries."""
|
167
|
-
|
168
|
-
|
169
|
-
SLOTS_DOCSTRING = """Curator objects by slot.
|
170
|
-
|
171
|
-
.. versionadded:: 1.1.1
|
172
|
-
"""
|
173
|
-
|
174
|
-
|
175
|
-
VALIDATE_DOCSTRING = """Validate dataset against Schema.
|
176
|
-
|
177
|
-
Raises:
|
178
|
-
lamindb.errors.ValidationError: If validation fails.
|
179
|
-
"""
|
180
|
-
|
181
|
-
SAVE_ARTIFACT_DOCSTRING = """Save an annotated artifact.
|
182
|
-
|
183
|
-
Args:
|
184
|
-
key: A path-like key to reference artifact in default storage, e.g., `"myfolder/myfile.fcs"`. Artifacts with the same key form a version family.
|
185
|
-
description: A description.
|
186
|
-
revises: Previous version of the artifact. Is an alternative way to passing `key` to trigger a new version.
|
187
|
-
run: The run that creates the artifact.
|
188
|
-
|
189
|
-
Returns:
|
190
|
-
A saved artifact record.
|
191
|
-
"""
|
192
|
-
|
193
|
-
|
194
|
-
class Curator:
|
195
|
-
"""Curator base class.
|
196
|
-
|
197
|
-
A `Curator` object makes it easy to validate, standardize & annotate datasets.
|
198
|
-
|
199
|
-
See:
|
200
|
-
- :class:`~lamindb.curators.DataFrameCurator`
|
201
|
-
- :class:`~lamindb.curators.AnnDataCurator`
|
202
|
-
- :class:`~lamindb.curators.MuDataCurator`
|
203
|
-
- :class:`~lamindb.curators.SpatialDataCurator`
|
204
|
-
|
205
|
-
.. versionadded:: 1.1.0
|
206
|
-
"""
|
207
|
-
|
208
|
-
def __init__(self, dataset: Any, schema: Schema | None = None):
|
209
|
-
self._artifact: Artifact = None # pass the dataset as an artifact
|
210
|
-
self._dataset: Any = dataset # pass the dataset as a UPathStr or data object
|
211
|
-
if isinstance(self._dataset, Artifact):
|
212
|
-
self._artifact = self._dataset
|
213
|
-
if self._artifact.otype in {
|
214
|
-
"DataFrame",
|
215
|
-
"AnnData",
|
216
|
-
"MuData",
|
217
|
-
"SpatialData",
|
218
|
-
}:
|
219
|
-
self._dataset = self._dataset.load()
|
220
|
-
self._schema: Schema | None = schema
|
221
|
-
self._is_validated: bool = False
|
222
|
-
self._cat_manager: CatManager = None # is None for CatManager curators
|
223
|
-
|
224
|
-
@doc_args(VALIDATE_DOCSTRING)
|
225
|
-
def validate(self) -> bool | str:
|
226
|
-
"""{}""" # noqa: D415
|
227
|
-
pass # pragma: no cover
|
228
|
-
|
229
|
-
@doc_args(SAVE_ARTIFACT_DOCSTRING)
|
230
|
-
def save_artifact(
|
231
|
-
self,
|
232
|
-
*,
|
233
|
-
key: str | None = None,
|
234
|
-
description: str | None = None,
|
235
|
-
revises: Artifact | None = None,
|
236
|
-
run: Run | None = None,
|
237
|
-
) -> Artifact:
|
238
|
-
"""{}""" # noqa: D415
|
239
|
-
# Note that this docstring has to be consistent with the Artifact()
|
240
|
-
# constructor signature
|
241
|
-
pass # pragma: no cover
|
242
|
-
|
243
|
-
|
244
|
-
# default implementation for MuDataCurator and SpatialDataCurator
|
245
|
-
class SlotsCurator(Curator):
|
246
|
-
"""Curator for a dataset with slots.
|
247
|
-
|
248
|
-
Args:
|
249
|
-
dataset: The dataset to validate & annotate.
|
250
|
-
schema: A `Schema` object that defines the validation constraints.
|
251
|
-
|
252
|
-
.. versionadded:: 1.3.0
|
253
|
-
"""
|
254
|
-
|
255
|
-
def __init__(
|
256
|
-
self,
|
257
|
-
dataset: Any,
|
258
|
-
schema: Schema,
|
259
|
-
) -> None:
|
260
|
-
super().__init__(dataset=dataset, schema=schema)
|
261
|
-
self._slots: dict[str, DataFrameCurator] = {}
|
262
|
-
|
263
|
-
# used in MuDataCurator and SpatialDataCurator
|
264
|
-
# in form of {table/modality_key: var_field}
|
265
|
-
self._var_fields: dict[str, FieldAttr] = {}
|
266
|
-
# in form of {table/modality_key: categoricals}
|
267
|
-
self._cat_columns: dict[str, dict[str, CatColumn]] = {}
|
268
|
-
|
269
|
-
@property
|
270
|
-
@doc_args(SLOTS_DOCSTRING)
|
271
|
-
def slots(self) -> dict[str, DataFrameCurator]:
|
272
|
-
"""{}""" # noqa: D415
|
273
|
-
return self._slots
|
274
|
-
|
275
|
-
@doc_args(VALIDATE_DOCSTRING)
|
276
|
-
def validate(self) -> None:
|
277
|
-
"""{}""" # noqa: D415
|
278
|
-
for slot, curator in self._slots.items():
|
279
|
-
logger.info(f"validating slot {slot} ...")
|
280
|
-
curator.validate()
|
281
|
-
|
282
|
-
@doc_args(SAVE_ARTIFACT_DOCSTRING)
|
283
|
-
def save_artifact(
|
284
|
-
self,
|
285
|
-
*,
|
286
|
-
key: str | None = None,
|
287
|
-
description: str | None = None,
|
288
|
-
revises: Artifact | None = None,
|
289
|
-
run: Run | None = None,
|
290
|
-
) -> Artifact:
|
291
|
-
"""{}""" # noqa: D415
|
292
|
-
if not self._is_validated:
|
293
|
-
self.validate()
|
294
|
-
if self._artifact is None:
|
295
|
-
if data_is_mudata(self._dataset):
|
296
|
-
self._artifact = Artifact.from_mudata(
|
297
|
-
self._dataset,
|
298
|
-
key=key,
|
299
|
-
description=description,
|
300
|
-
revises=revises,
|
301
|
-
run=run,
|
302
|
-
)
|
303
|
-
elif data_is_spatialdata(self._dataset):
|
304
|
-
self._artifact = Artifact.from_spatialdata(
|
305
|
-
self._dataset,
|
306
|
-
key=key,
|
307
|
-
description=description,
|
308
|
-
revises=revises,
|
309
|
-
run=run,
|
310
|
-
)
|
311
|
-
self._artifact.schema = self._schema
|
312
|
-
self._artifact.save()
|
313
|
-
cat_columns = {}
|
314
|
-
for curator in self._slots.values():
|
315
|
-
for key, cat_column in curator._cat_manager._cat_columns.items():
|
316
|
-
cat_columns[key] = cat_column
|
317
|
-
return annotate_artifact( # type: ignore
|
318
|
-
self._artifact,
|
319
|
-
index_field=self._var_fields,
|
320
|
-
schema=self._schema,
|
321
|
-
cat_columns=cat_columns,
|
322
|
-
)
|
323
|
-
|
324
|
-
|
325
|
-
def check_dtype(expected_type) -> Callable:
|
326
|
-
"""Creates a check function for Pandera that validates a column's dtype.
|
327
|
-
|
328
|
-
Args:
|
329
|
-
expected_type: String identifier for the expected type ('int', 'float', or 'num')
|
330
|
-
|
331
|
-
Returns:
|
332
|
-
A function that checks if a series has the expected dtype
|
333
|
-
"""
|
334
|
-
|
335
|
-
def check_function(series):
|
336
|
-
if expected_type == "int":
|
337
|
-
is_valid = pd.api.types.is_integer_dtype(series.dtype)
|
338
|
-
elif expected_type == "float":
|
339
|
-
is_valid = pd.api.types.is_float_dtype(series.dtype)
|
340
|
-
elif expected_type == "num":
|
341
|
-
is_valid = pd.api.types.is_numeric_dtype(series.dtype)
|
342
|
-
return is_valid
|
343
|
-
|
344
|
-
return check_function
|
345
|
-
|
346
|
-
|
347
|
-
class DataFrameCurator(Curator):
|
348
|
-
# the example in the docstring is tested in test_curators_quickstart_example
|
349
|
-
"""Curator for `DataFrame`.
|
350
|
-
|
351
|
-
See also :class:`~lamindb.Curator` and :class:`~lamindb.Schema`.
|
352
|
-
|
353
|
-
.. versionadded:: 1.1.0
|
354
|
-
|
355
|
-
Args:
|
356
|
-
dataset: The DataFrame-like object to validate & annotate.
|
357
|
-
schema: A `Schema` object that defines the validation constraints.
|
358
|
-
|
359
|
-
Example::
|
360
|
-
|
361
|
-
import lamindb as ln
|
362
|
-
import bionty as bt
|
363
|
-
|
364
|
-
# define valid labels
|
365
|
-
perturbation = ln.ULabel(name="Perturbation", is_type=True).save()
|
366
|
-
ln.ULabel(name="DMSO", type=perturbation).save()
|
367
|
-
ln.ULabel(name="IFNG", type=perturbation).save()
|
368
|
-
bt.CellType.from_source(name="B cell").save()
|
369
|
-
bt.CellType.from_source(name="T cell").save()
|
370
|
-
|
371
|
-
# define schema
|
372
|
-
schema = ln.Schema(
|
373
|
-
name="small_dataset1_obs_level_metadata",
|
374
|
-
features=[
|
375
|
-
ln.Feature(name="perturbation", dtype="cat[ULabel[Perturbation]]").save(),
|
376
|
-
ln.Feature(name="sample_note", dtype=str).save(),
|
377
|
-
ln.Feature(name="cell_type_by_expert", dtype=bt.CellType).save(),
|
378
|
-
ln.Feature(name="cell_type_by_model", dtype=bt.CellType).save(),
|
379
|
-
],
|
380
|
-
).save()
|
381
|
-
|
382
|
-
# curate a DataFrame
|
383
|
-
df = datasets.small_dataset1(otype="DataFrame")
|
384
|
-
curator = ln.curators.DataFrameCurator(df, schema)
|
385
|
-
artifact = curator.save_artifact(key="example_datasets/dataset1.parquet")
|
386
|
-
assert artifact.schema == schema
|
387
|
-
"""
|
388
|
-
|
389
|
-
def __init__(
|
390
|
-
self,
|
391
|
-
dataset: pd.DataFrame | Artifact,
|
392
|
-
schema: Schema,
|
393
|
-
) -> None:
|
394
|
-
super().__init__(dataset=dataset, schema=schema)
|
395
|
-
categoricals = []
|
396
|
-
features = []
|
397
|
-
feature_ids: set[int] = set()
|
398
|
-
if schema.flexible and isinstance(self._dataset, pd.DataFrame):
|
399
|
-
features += Feature.filter(name__in=self._dataset.keys()).list()
|
400
|
-
feature_ids = {feature.id for feature in features}
|
401
|
-
if schema.n > 0:
|
402
|
-
schema_features = schema.features.all().list()
|
403
|
-
if feature_ids:
|
404
|
-
features.extend(
|
405
|
-
feature
|
406
|
-
for feature in schema_features
|
407
|
-
if feature.id not in feature_ids
|
408
|
-
)
|
409
|
-
else:
|
410
|
-
features.extend(schema_features)
|
411
|
-
else:
|
412
|
-
assert schema.itype is not None # noqa: S101
|
413
|
-
if features:
|
414
|
-
# populate features
|
415
|
-
pandera_columns = {}
|
416
|
-
if schema.minimal_set:
|
417
|
-
optional_feature_uids = set(schema.optionals.get_uids())
|
418
|
-
for feature in features:
|
419
|
-
if schema.minimal_set:
|
420
|
-
required = feature.uid not in optional_feature_uids
|
421
|
-
else:
|
422
|
-
required = False
|
423
|
-
if feature.dtype in {"int", "float", "num"}:
|
424
|
-
dtype = (
|
425
|
-
self._dataset[feature.name].dtype
|
426
|
-
if feature.name in self._dataset.columns
|
427
|
-
else None
|
428
|
-
)
|
429
|
-
pandera_columns[feature.name] = pandera.Column(
|
430
|
-
dtype=None,
|
431
|
-
checks=pandera.Check(
|
432
|
-
check_dtype(feature.dtype),
|
433
|
-
element_wise=False,
|
434
|
-
error=f"Column '{feature.name}' failed dtype check for '{feature.dtype}': got {dtype}",
|
435
|
-
),
|
436
|
-
nullable=feature.nullable,
|
437
|
-
coerce=feature.coerce_dtype,
|
438
|
-
required=required,
|
439
|
-
)
|
440
|
-
else:
|
441
|
-
pandera_dtype = (
|
442
|
-
feature.dtype
|
443
|
-
if not feature.dtype.startswith("cat")
|
444
|
-
else "category"
|
445
|
-
)
|
446
|
-
pandera_columns[feature.name] = pandera.Column(
|
447
|
-
pandera_dtype,
|
448
|
-
nullable=feature.nullable,
|
449
|
-
coerce=feature.coerce_dtype,
|
450
|
-
required=required,
|
451
|
-
)
|
452
|
-
if feature.dtype.startswith("cat"):
|
453
|
-
# validate categoricals if the column is required or if the column is present
|
454
|
-
if required or feature.name in self._dataset.columns:
|
455
|
-
categoricals.append(feature)
|
456
|
-
self._pandera_schema = pandera.DataFrameSchema(
|
457
|
-
pandera_columns,
|
458
|
-
coerce=schema.coerce_dtype,
|
459
|
-
strict=schema.maximal_set,
|
460
|
-
ordered=schema.ordered_set,
|
461
|
-
)
|
462
|
-
self._cat_manager = DataFrameCatManager(
|
463
|
-
self._dataset,
|
464
|
-
columns=parse_cat_dtype(schema.itype, is_itype=True)["field"],
|
465
|
-
categoricals=categoricals,
|
466
|
-
)
|
467
|
-
|
468
|
-
@property
|
469
|
-
@doc_args(CAT_MANAGER_DOCSTRING)
|
470
|
-
def cat(self) -> CatManager:
|
471
|
-
"""{}""" # noqa: D415
|
472
|
-
return self._cat_manager
|
473
|
-
|
474
|
-
def standardize(self) -> None:
|
475
|
-
"""Standardize the dataset.
|
476
|
-
|
477
|
-
- Adds missing columns for features
|
478
|
-
- Fills missing values for features with default values
|
479
|
-
"""
|
480
|
-
for feature in self._schema.members:
|
481
|
-
if feature.name not in self._dataset.columns:
|
482
|
-
if feature.default_value is not None or feature.nullable:
|
483
|
-
fill_value = (
|
484
|
-
feature.default_value
|
485
|
-
if feature.default_value is not None
|
486
|
-
else pd.NA
|
487
|
-
)
|
488
|
-
if feature.dtype.startswith("cat"):
|
489
|
-
self._dataset[feature.name] = pd.Categorical(
|
490
|
-
[fill_value] * len(self._dataset)
|
491
|
-
)
|
492
|
-
else:
|
493
|
-
self._dataset[feature.name] = fill_value
|
494
|
-
logger.important(
|
495
|
-
f"added column {feature.name} with fill value {fill_value}"
|
496
|
-
)
|
497
|
-
else:
|
498
|
-
raise ValidationError(
|
499
|
-
f"Missing column {feature.name} cannot be added because is not nullable and has no default value"
|
500
|
-
)
|
501
|
-
else:
|
502
|
-
if feature.default_value is not None:
|
503
|
-
if isinstance(
|
504
|
-
self._dataset[feature.name].dtype, pd.CategoricalDtype
|
505
|
-
):
|
506
|
-
if (
|
507
|
-
feature.default_value
|
508
|
-
not in self._dataset[feature.name].cat.categories
|
509
|
-
):
|
510
|
-
self._dataset[feature.name] = self._dataset[
|
511
|
-
feature.name
|
512
|
-
].cat.add_categories(feature.default_value)
|
513
|
-
self._dataset[feature.name] = self._dataset[feature.name].fillna(
|
514
|
-
feature.default_value
|
515
|
-
)
|
516
|
-
|
517
|
-
def _cat_manager_validate(self) -> None:
|
518
|
-
self._cat_manager.validate()
|
519
|
-
if self._cat_manager._is_validated:
|
520
|
-
self._is_validated = True
|
521
|
-
else:
|
522
|
-
self._is_validated = False
|
523
|
-
raise ValidationError(self._cat_manager._validate_category_error_messages)
|
524
|
-
|
525
|
-
@doc_args(VALIDATE_DOCSTRING)
|
526
|
-
def validate(self) -> None:
|
527
|
-
"""{}""" # noqa: D415
|
528
|
-
if self._schema.n > 0:
|
529
|
-
try:
|
530
|
-
# first validate through pandera
|
531
|
-
self._pandera_schema.validate(self._dataset)
|
532
|
-
# then validate lamindb categoricals
|
533
|
-
self._cat_manager_validate()
|
534
|
-
except pandera.errors.SchemaError as err:
|
535
|
-
self._is_validated = False
|
536
|
-
# .exconly() doesn't exist on SchemaError
|
537
|
-
raise ValidationError(str(err)) from err
|
538
|
-
else:
|
539
|
-
self._cat_manager_validate()
|
540
|
-
|
541
|
-
@doc_args(SAVE_ARTIFACT_DOCSTRING)
|
542
|
-
def save_artifact(
|
543
|
-
self,
|
544
|
-
*,
|
545
|
-
key: str | None = None,
|
546
|
-
description: str | None = None,
|
547
|
-
revises: Artifact | None = None,
|
548
|
-
run: Run | None = None,
|
549
|
-
) -> Artifact:
|
550
|
-
"""{}""" # noqa: D415
|
551
|
-
if not self._is_validated:
|
552
|
-
self.validate() # raises ValidationError if doesn't validate
|
553
|
-
result = parse_cat_dtype(self._schema.itype, is_itype=True)
|
554
|
-
if self._artifact is None:
|
555
|
-
self._artifact = Artifact.from_df(
|
556
|
-
self._dataset,
|
557
|
-
key=key,
|
558
|
-
description=description,
|
559
|
-
revises=revises,
|
560
|
-
run=run,
|
561
|
-
)
|
562
|
-
self._artifact.schema = self._schema
|
563
|
-
self._artifact.save()
|
564
|
-
return annotate_artifact( # type: ignore
|
565
|
-
self._artifact,
|
566
|
-
index_field=result["field"],
|
567
|
-
schema=self._schema,
|
568
|
-
cat_columns=self._cat_manager._cat_columns,
|
569
|
-
)
|
570
|
-
|
571
|
-
|
572
|
-
class AnnDataCurator(SlotsCurator):
|
573
|
-
# the example in the docstring is tested in test_curators_quickstart_example
|
574
|
-
"""Curator for `AnnData`.
|
575
|
-
|
576
|
-
See also :class:`~lamindb.Curator` and :class:`~lamindb.Schema`.
|
577
|
-
|
578
|
-
.. versionadded:: 1.1.0
|
579
|
-
|
580
|
-
Args:
|
581
|
-
dataset: The AnnData-like object to validate & annotate.
|
582
|
-
schema: A `Schema` object that defines the validation constraints.
|
583
|
-
|
584
|
-
Example::
|
585
|
-
|
586
|
-
import lamindb as ln
|
587
|
-
import bionty as bt
|
588
|
-
|
589
|
-
# define valid labels
|
590
|
-
perturbation = ln.ULabel(name="Perturbation", is_type=True).save()
|
591
|
-
ln.ULabel(name="DMSO", type=perturbation).save()
|
592
|
-
ln.ULabel(name="IFNG", type=perturbation).save()
|
593
|
-
bt.CellType.from_source(name="B cell").save()
|
594
|
-
bt.CellType.from_source(name="T cell").save()
|
595
|
-
|
596
|
-
# define obs schema
|
597
|
-
obs_schema = ln.Schema(
|
598
|
-
name="small_dataset1_obs_level_metadata",
|
599
|
-
features=[
|
600
|
-
ln.Feature(name="perturbation", dtype="cat[ULabel[Perturbation]]").save(),
|
601
|
-
ln.Feature(name="sample_note", dtype=str).save(),
|
602
|
-
ln.Feature(name="cell_type_by_expert", dtype=bt.CellType).save(),
|
603
|
-
ln.Feature(name="cell_type_by_model", dtype=bt.CellType).save(),
|
604
|
-
],
|
605
|
-
).save()
|
606
|
-
|
607
|
-
# define var schema
|
608
|
-
var_schema = ln.Schema(
|
609
|
-
name="scRNA_seq_var_schema",
|
610
|
-
itype=bt.Gene.ensembl_gene_id,
|
611
|
-
dtype=int,
|
612
|
-
).save()
|
613
|
-
|
614
|
-
# define composite schema
|
615
|
-
anndata_schema = ln.Schema(
|
616
|
-
name="small_dataset1_anndata_schema",
|
617
|
-
otype="AnnData",
|
618
|
-
components={"obs": obs_schema, "var": var_schema},
|
619
|
-
).save()
|
620
|
-
|
621
|
-
# curate an AnnData
|
622
|
-
adata = ln.core.datasets.small_dataset1(otype="AnnData")
|
623
|
-
curator = ln.curators.AnnDataCurator(adata, anndata_schema)
|
624
|
-
artifact = curator.save_artifact(key="example_datasets/dataset1.h5ad")
|
625
|
-
assert artifact.schema == anndata_schema
|
626
|
-
"""
|
627
|
-
|
628
|
-
def __init__(
|
629
|
-
self,
|
630
|
-
dataset: AnnData | Artifact,
|
631
|
-
schema: Schema,
|
632
|
-
) -> None:
|
633
|
-
super().__init__(dataset=dataset, schema=schema)
|
634
|
-
if not data_is_anndata(self._dataset):
|
635
|
-
raise InvalidArgument("dataset must be AnnData-like.")
|
636
|
-
if schema.otype != "AnnData":
|
637
|
-
raise InvalidArgument("Schema otype must be 'AnnData'.")
|
638
|
-
# TODO: also support slots other than obs and var
|
639
|
-
self._slots = {
|
640
|
-
slot: DataFrameCurator(
|
641
|
-
(
|
642
|
-
getattr(self._dataset, slot).T
|
643
|
-
if slot == "var"
|
644
|
-
else getattr(self._dataset, slot)
|
645
|
-
),
|
646
|
-
slot_schema,
|
647
|
-
)
|
648
|
-
for slot, slot_schema in schema.slots.items()
|
649
|
-
if slot in {"obs", "var", "uns"}
|
650
|
-
}
|
651
|
-
# TODO: better way to handle this!
|
652
|
-
if "var" in self._slots:
|
653
|
-
self._slots["var"]._cat_manager._cat_columns["var_index"] = self._slots[
|
654
|
-
"var"
|
655
|
-
]._cat_manager._cat_columns.pop("columns")
|
656
|
-
self._slots["var"]._cat_manager._cat_columns["var_index"]._key = "var_index"
|
657
|
-
|
658
|
-
@doc_args(SAVE_ARTIFACT_DOCSTRING)
|
659
|
-
def save_artifact(
|
660
|
-
self,
|
661
|
-
*,
|
662
|
-
key: str | None = None,
|
663
|
-
description: str | None = None,
|
664
|
-
revises: Artifact | None = None,
|
665
|
-
run: Run | None = None,
|
666
|
-
) -> Artifact:
|
667
|
-
"""{}""" # noqa: D415
|
668
|
-
if not self._is_validated:
|
669
|
-
self.validate()
|
670
|
-
if self._artifact is None:
|
671
|
-
self._artifact = Artifact.from_anndata(
|
672
|
-
self._dataset,
|
673
|
-
key=key,
|
674
|
-
description=description,
|
675
|
-
revises=revises,
|
676
|
-
run=run,
|
677
|
-
)
|
678
|
-
self._artifact.schema = self._schema
|
679
|
-
self._artifact.save()
|
680
|
-
return annotate_artifact( # type: ignore
|
681
|
-
self._artifact,
|
682
|
-
cat_columns=(
|
683
|
-
self.slots["obs"]._cat_manager._cat_columns
|
684
|
-
if "obs" in self.slots
|
685
|
-
else {}
|
686
|
-
),
|
687
|
-
index_field=(
|
688
|
-
parse_cat_dtype(self.slots["var"]._schema.itype, is_itype=True)["field"]
|
689
|
-
if "var" in self._slots
|
690
|
-
else None
|
691
|
-
),
|
692
|
-
schema=self._schema,
|
693
|
-
)
|
694
|
-
|
695
|
-
|
696
|
-
def _assign_var_fields_categoricals_multimodal(
|
697
|
-
modality: str | None,
|
698
|
-
slot_type: str,
|
699
|
-
slot: str,
|
700
|
-
slot_schema: Schema,
|
701
|
-
var_fields: dict[str, FieldAttr],
|
702
|
-
cat_columns: dict[str, dict[str, CatColumn]],
|
703
|
-
slots: dict[str, DataFrameCurator],
|
704
|
-
) -> None:
|
705
|
-
"""Assigns var_fields and categoricals for multimodal data curators."""
|
706
|
-
if modality is not None:
|
707
|
-
# Makes sure that all tables are present
|
708
|
-
var_fields[modality] = None
|
709
|
-
cat_columns[modality] = {}
|
710
|
-
|
711
|
-
if slot_type == "var":
|
712
|
-
var_field = parse_cat_dtype(slot_schema.itype, is_itype=True)["field"]
|
713
|
-
if modality is None:
|
714
|
-
# This should rarely/never be used since tables should have different var fields
|
715
|
-
var_fields[slot] = var_field # pragma: no cover
|
716
|
-
else:
|
717
|
-
# Note that this is NOT nested since the nested key is always "var"
|
718
|
-
var_fields[modality] = var_field
|
719
|
-
else:
|
720
|
-
obs_fields = slots[slot]._cat_manager._cat_columns
|
721
|
-
if modality is None:
|
722
|
-
cat_columns[slot] = obs_fields
|
723
|
-
else:
|
724
|
-
# Note that this is NOT nested since the nested key is always "obs"
|
725
|
-
cat_columns[modality] = obs_fields
|
726
|
-
|
727
|
-
|
728
|
-
class MuDataCurator(SlotsCurator):
|
729
|
-
# the example in the docstring is tested in test_curators_quickstart_example
|
730
|
-
"""Curator for `MuData`.
|
731
|
-
|
732
|
-
See also :class:`~lamindb.Curator` and :class:`~lamindb.Schema`.
|
733
|
-
|
734
|
-
.. versionadded:: 1.3.0
|
735
|
-
|
736
|
-
Args:
|
737
|
-
dataset: The MuData-like object to validate & annotate.
|
738
|
-
schema: A `Schema` object that defines the validation constraints.
|
739
|
-
|
740
|
-
Example::
|
741
|
-
|
742
|
-
import lamindb as ln
|
743
|
-
import bionty as bt
|
744
|
-
|
745
|
-
# define the global obs schema
|
746
|
-
obs_schema = ln.Schema(
|
747
|
-
name="mudata_papalexi21_subset_obs_schema",
|
748
|
-
features=[
|
749
|
-
ln.Feature(name="perturbation", dtype="cat[ULabel[Perturbation]]").save(),
|
750
|
-
ln.Feature(name="replicate", dtype="cat[ULabel[Replicate]]").save(),
|
751
|
-
],
|
752
|
-
).save()
|
753
|
-
|
754
|
-
# define the ['rna'].obs schema
|
755
|
-
obs_schema_rna = ln.Schema(
|
756
|
-
name="mudata_papalexi21_subset_rna_obs_schema",
|
757
|
-
features=[
|
758
|
-
ln.Feature(name="nCount_RNA", dtype=int).save(),
|
759
|
-
ln.Feature(name="nFeature_RNA", dtype=int).save(),
|
760
|
-
ln.Feature(name="percent.mito", dtype=float).save(),
|
761
|
-
],
|
762
|
-
coerce_dtype=True,
|
763
|
-
).save()
|
764
|
-
|
765
|
-
# define the ['hto'].obs schema
|
766
|
-
obs_schema_hto = ln.Schema(
|
767
|
-
name="mudata_papalexi21_subset_hto_obs_schema",
|
768
|
-
features=[
|
769
|
-
ln.Feature(name="nCount_HTO", dtype=int).save(),
|
770
|
-
ln.Feature(name="nFeature_HTO", dtype=int).save(),
|
771
|
-
ln.Feature(name="technique", dtype=bt.ExperimentalFactor).save(),
|
772
|
-
],
|
773
|
-
coerce_dtype=True,
|
774
|
-
).save()
|
775
|
-
|
776
|
-
# define ['rna'].var schema
|
777
|
-
var_schema_rna = ln.Schema(
|
778
|
-
name="mudata_papalexi21_subset_rna_var_schema",
|
779
|
-
itype=bt.Gene.symbol,
|
780
|
-
dtype=float,
|
781
|
-
).save()
|
782
|
-
|
783
|
-
# define composite schema
|
784
|
-
mudata_schema = ln.Schema(
|
785
|
-
name="mudata_papalexi21_subset_mudata_schema",
|
786
|
-
otype="MuData",
|
787
|
-
components={
|
788
|
-
"obs": obs_schema,
|
789
|
-
"rna:obs": obs_schema_rna,
|
790
|
-
"hto:obs": obs_schema_hto,
|
791
|
-
"rna:var": var_schema_rna,
|
792
|
-
},
|
793
|
-
).save()
|
794
|
-
|
795
|
-
# curate a MuData
|
796
|
-
mdata = ln.core.datasets.mudata_papalexi21_subset()
|
797
|
-
bt.settings.organism = "human" # set the organism
|
798
|
-
curator = ln.curators.MuDataCurator(mdata, mudata_schema)
|
799
|
-
artifact = curator.save_artifact(key="example_datasets/mudata_papalexi21_subset.h5mu")
|
800
|
-
assert artifact.schema == mudata_schema
|
801
|
-
"""
|
802
|
-
|
803
|
-
def __init__(
|
804
|
-
self,
|
805
|
-
dataset: MuData | Artifact,
|
806
|
-
schema: Schema,
|
807
|
-
) -> None:
|
808
|
-
super().__init__(dataset=dataset, schema=schema)
|
809
|
-
if not data_is_mudata(self._dataset):
|
810
|
-
raise InvalidArgument("dataset must be MuData-like.")
|
811
|
-
if schema.otype != "MuData":
|
812
|
-
raise InvalidArgument("Schema otype must be 'MuData'.")
|
813
|
-
|
814
|
-
for slot, slot_schema in schema.slots.items():
|
815
|
-
# Assign to _slots
|
816
|
-
if ":" in slot:
|
817
|
-
modality, modality_slot = slot.split(":")
|
818
|
-
schema_dataset = self._dataset.__getitem__(modality)
|
819
|
-
else:
|
820
|
-
modality, modality_slot = None, slot
|
821
|
-
schema_dataset = self._dataset
|
822
|
-
self._slots[slot] = DataFrameCurator(
|
823
|
-
(
|
824
|
-
getattr(schema_dataset, modality_slot).T
|
825
|
-
if modality_slot == "var"
|
826
|
-
else getattr(schema_dataset, modality_slot)
|
827
|
-
),
|
828
|
-
slot_schema,
|
829
|
-
)
|
830
|
-
_assign_var_fields_categoricals_multimodal(
|
831
|
-
modality=modality,
|
832
|
-
slot_type=modality_slot,
|
833
|
-
slot=slot,
|
834
|
-
slot_schema=slot_schema,
|
835
|
-
var_fields=self._var_fields,
|
836
|
-
cat_columns=self._cat_columns,
|
837
|
-
slots=self._slots,
|
838
|
-
)
|
839
|
-
|
840
|
-
# for consistency with BaseCatManager
|
841
|
-
self._columns_field = self._var_fields
|
842
|
-
|
843
|
-
|
844
|
-
class SpatialDataCurator(SlotsCurator):
|
845
|
-
# the example in the docstring is tested in test_curators_quickstart_example
|
846
|
-
"""Curator for `SpatialData`.
|
847
|
-
|
848
|
-
See also :class:`~lamindb.Curator` and :class:`~lamindb.Schema`.
|
849
|
-
|
850
|
-
.. versionadded:: 1.3.0
|
851
|
-
|
852
|
-
Args:
|
853
|
-
dataset: The SpatialData-like object to validate & annotate.
|
854
|
-
schema: A `Schema` object that defines the validation constraints.
|
855
|
-
|
856
|
-
Example::
|
857
|
-
|
858
|
-
import lamindb as ln
|
859
|
-
import bionty as bt
|
860
|
-
|
861
|
-
# define sample schema
|
862
|
-
sample_schema = ln.Schema(
|
863
|
-
name="blobs_sample_level_metadata",
|
864
|
-
features=[
|
865
|
-
ln.Feature(name="assay", dtype=bt.ExperimentalFactor).save(),
|
866
|
-
ln.Feature(name="disease", dtype=bt.Disease).save(),
|
867
|
-
ln.Feature(name="development_stage", dtype=bt.DevelopmentalStage).save(),
|
868
|
-
],
|
869
|
-
coerce_dtype=True
|
870
|
-
).save()
|
871
|
-
|
872
|
-
# define table obs schema
|
873
|
-
blobs_obs_schema = ln.Schema(
|
874
|
-
name="blobs_obs_level_metadata",
|
875
|
-
features=[
|
876
|
-
ln.Feature(name="sample_region", dtype="str").save(),
|
877
|
-
],
|
878
|
-
coerce_dtype=True
|
879
|
-
).save()
|
880
|
-
|
881
|
-
# define table var schema
|
882
|
-
blobs_var_schema = ln.Schema(
|
883
|
-
name="blobs_var_schema",
|
884
|
-
itype=bt.Gene.ensembl_gene_id,
|
885
|
-
dtype=int
|
886
|
-
).save()
|
887
|
-
|
888
|
-
# define composite schema
|
889
|
-
spatialdata_schema = ln.Schema(
|
890
|
-
name="blobs_spatialdata_schema",
|
891
|
-
otype="SpatialData",
|
892
|
-
components={
|
893
|
-
"sample": sample_schema,
|
894
|
-
"table:obs": blobs_obs_schema,
|
895
|
-
"table:var": blobs_var_schema,
|
896
|
-
}).save()
|
897
|
-
|
898
|
-
# curate a SpatialData
|
899
|
-
spatialdata = ln.core.datasets.spatialdata_blobs()
|
900
|
-
curator = ln.curators.SpatialDataCurator(spatialdata, spatialdata_schema)
|
901
|
-
try:
|
902
|
-
curator.validate()
|
903
|
-
except ln.errors.ValidationError as error:
|
904
|
-
print(error)
|
905
|
-
|
906
|
-
# validate again (must pass now) and save artifact
|
907
|
-
artifact = curator.save_artifact(key="example_datasets/spatialdata1.zarr")
|
908
|
-
assert artifact.schema == spatialdata_schema
|
909
|
-
"""
|
910
|
-
|
911
|
-
def __init__(
|
912
|
-
self,
|
913
|
-
dataset: SpatialData | Artifact,
|
914
|
-
schema: Schema,
|
915
|
-
*,
|
916
|
-
sample_metadata_key: str | None = "sample",
|
917
|
-
) -> None:
|
918
|
-
super().__init__(dataset=dataset, schema=schema)
|
919
|
-
if not data_is_spatialdata(self._dataset):
|
920
|
-
raise InvalidArgument("dataset must be SpatialData-like.")
|
921
|
-
if schema.otype != "SpatialData":
|
922
|
-
raise InvalidArgument("Schema otype must be 'SpatialData'.")
|
923
|
-
|
924
|
-
for slot, slot_schema in schema.slots.items():
|
925
|
-
# Assign to _slots
|
926
|
-
if ":" in slot:
|
927
|
-
table_key, table_slot = slot.split(":")
|
928
|
-
schema_dataset = self._dataset.tables.__getitem__(table_key)
|
929
|
-
# sample metadata (does not have a `:` separator)
|
930
|
-
else:
|
931
|
-
table_key = None
|
932
|
-
table_slot = slot
|
933
|
-
schema_dataset = self._dataset.get_attrs(
|
934
|
-
key=sample_metadata_key, return_as="df", flatten=True
|
935
|
-
)
|
936
|
-
|
937
|
-
self._slots[slot] = DataFrameCurator(
|
938
|
-
(
|
939
|
-
getattr(schema_dataset, table_slot).T
|
940
|
-
if table_slot == "var"
|
941
|
-
else (
|
942
|
-
getattr(schema_dataset, table_slot)
|
943
|
-
if table_slot != sample_metadata_key
|
944
|
-
else schema_dataset
|
945
|
-
) # just take the schema_dataset if it's the sample metadata key
|
946
|
-
),
|
947
|
-
slot_schema,
|
948
|
-
)
|
949
|
-
|
950
|
-
_assign_var_fields_categoricals_multimodal(
|
951
|
-
modality=table_key,
|
952
|
-
slot_type=table_slot,
|
953
|
-
slot=slot,
|
954
|
-
slot_schema=slot_schema,
|
955
|
-
var_fields=self._var_fields,
|
956
|
-
cat_columns=self._cat_columns,
|
957
|
-
slots=self._slots,
|
958
|
-
)
|
959
|
-
|
960
|
-
# for consistency with BaseCatManager
|
961
|
-
self._columns_field = self._var_fields
|
962
|
-
|
963
|
-
|
964
|
-
class CatColumn:
|
965
|
-
"""Categorical column for `DataFrame`.
|
966
|
-
|
967
|
-
Args:
|
968
|
-
values_getter: A callable or iterable that returns the values to validate.
|
969
|
-
field: The field to validate against.
|
970
|
-
key: The name of the column to validate. Only used for logging.
|
971
|
-
values_setter: A callable that sets the values.
|
972
|
-
source: The source to validate against.
|
973
|
-
"""
|
974
|
-
|
975
|
-
def __init__(
|
976
|
-
self,
|
977
|
-
values_getter: Callable | Iterable[str],
|
978
|
-
field: FieldAttr,
|
979
|
-
key: str,
|
980
|
-
values_setter: Callable | None = None,
|
981
|
-
source: Record | None = None,
|
982
|
-
feature: Feature | None = None,
|
983
|
-
) -> None:
|
984
|
-
self._values_getter = values_getter
|
985
|
-
self._values_setter = values_setter
|
986
|
-
self._field = field
|
987
|
-
self._key = key
|
988
|
-
self._source = source
|
989
|
-
self._organism = None
|
990
|
-
self._validated: None | list[str] = None
|
991
|
-
self._non_validated: None | list[str] = None
|
992
|
-
self._synonyms: None | dict[str, str] = None
|
993
|
-
self.feature = feature
|
994
|
-
self.labels = None
|
995
|
-
if hasattr(field.field.model, "_name_field"):
|
996
|
-
label_ref_is_name = field.field.name == field.field.model._name_field
|
997
|
-
else:
|
998
|
-
label_ref_is_name = field.field.name == "name"
|
999
|
-
self.label_ref_is_name = label_ref_is_name
|
1000
|
-
|
1001
|
-
@property
|
1002
|
-
def values(self):
|
1003
|
-
"""Get the current values using the getter function."""
|
1004
|
-
if callable(self._values_getter):
|
1005
|
-
return self._values_getter()
|
1006
|
-
return self._values_getter
|
1007
|
-
|
1008
|
-
@values.setter
|
1009
|
-
def values(self, new_values):
|
1010
|
-
"""Set new values using the setter function if available."""
|
1011
|
-
if callable(self._values_setter):
|
1012
|
-
self._values_setter(new_values)
|
1013
|
-
else:
|
1014
|
-
# If values_getter is not callable, it's a direct reference we can update
|
1015
|
-
self._values_getter = new_values
|
1016
|
-
|
1017
|
-
@property
|
1018
|
-
def is_validated(self) -> bool:
|
1019
|
-
"""Return whether the column is validated."""
|
1020
|
-
return len(self._non_validated) == 0
|
1021
|
-
|
1022
|
-
def _replace_synonyms(self) -> list[str]:
|
1023
|
-
"""Replace synonyms in the column with standardized values."""
|
1024
|
-
syn_mapper = self._synonyms
|
1025
|
-
# replace the values in df
|
1026
|
-
std_values = self.values.map(
|
1027
|
-
lambda unstd_val: syn_mapper.get(unstd_val, unstd_val)
|
1028
|
-
)
|
1029
|
-
# remove the standardized values from self.non_validated
|
1030
|
-
non_validated = [i for i in self._non_validated if i not in syn_mapper]
|
1031
|
-
if len(non_validated) == 0:
|
1032
|
-
self._non_validated = []
|
1033
|
-
else:
|
1034
|
-
self._non_validated = non_validated # type: ignore
|
1035
|
-
# logging
|
1036
|
-
n = len(syn_mapper)
|
1037
|
-
if n > 0:
|
1038
|
-
syn_mapper_print = _format_values(
|
1039
|
-
[f'"{k}" → "{v}"' for k, v in syn_mapper.items()], sep=""
|
1040
|
-
)
|
1041
|
-
s = "s" if n > 1 else ""
|
1042
|
-
logger.success(
|
1043
|
-
f'standardized {n} synonym{s} in "{self._key}": {colors.green(syn_mapper_print)}'
|
1044
|
-
)
|
1045
|
-
return std_values
|
1046
|
-
|
1047
|
-
def _add_validated(self) -> tuple[list, list]:
|
1048
|
-
"""Save features or labels records in the default instance."""
|
1049
|
-
from lamindb.models.save import save as ln_save
|
1050
|
-
|
1051
|
-
registry = self._field.field.model
|
1052
|
-
field_name = self._field.field.name
|
1053
|
-
model_field = registry.__get_name_with_module__()
|
1054
|
-
filter_kwargs = get_current_filter_kwargs(
|
1055
|
-
registry, {"organism": self._organism, "source": self._source}
|
1056
|
-
)
|
1057
|
-
values = [i for i in self.values if isinstance(i, str) and i]
|
1058
|
-
if not values:
|
1059
|
-
return [], []
|
1060
|
-
|
1061
|
-
# inspect the default instance and save validated records from public
|
1062
|
-
existing_and_public_records = registry.from_values(
|
1063
|
-
list(values), field=self._field, **filter_kwargs, mute=True
|
1064
|
-
)
|
1065
|
-
existing_and_public_labels = [
|
1066
|
-
getattr(r, field_name) for r in existing_and_public_records
|
1067
|
-
]
|
1068
|
-
# public records that are not already in the database
|
1069
|
-
public_records = [r for r in existing_and_public_records if r._state.adding]
|
1070
|
-
# here we check to only save the public records if they are from the specified source
|
1071
|
-
# we check the uid because r.source and source can be from different instances
|
1072
|
-
if self._source:
|
1073
|
-
public_records = [
|
1074
|
-
r for r in public_records if r.source.uid == self._source.uid
|
1075
|
-
]
|
1076
|
-
if len(public_records) > 0:
|
1077
|
-
logger.info(f"saving validated records of '{self._key}'")
|
1078
|
-
ln_save(public_records)
|
1079
|
-
labels_saved_public = [getattr(r, field_name) for r in public_records]
|
1080
|
-
# log the saved public labels
|
1081
|
-
# the term "transferred" stresses that this is always in the context of transferring
|
1082
|
-
# labels from a public ontology or a different instance to the present instance
|
1083
|
-
if len(labels_saved_public) > 0:
|
1084
|
-
s = "s" if len(labels_saved_public) > 1 else ""
|
1085
|
-
logger.success(
|
1086
|
-
f'added {len(labels_saved_public)} record{s} {colors.green("from_public")} with {model_field} for "{self._key}": {_format_values(labels_saved_public)}'
|
1087
|
-
)
|
1088
|
-
self.labels = existing_and_public_records
|
1089
|
-
|
1090
|
-
# non-validated records from the default instance
|
1091
|
-
non_validated_labels = [
|
1092
|
-
i for i in values if i not in existing_and_public_labels
|
1093
|
-
]
|
1094
|
-
|
1095
|
-
# validated, non-validated
|
1096
|
-
return existing_and_public_labels, non_validated_labels
|
1097
|
-
|
1098
|
-
def _add_new(
|
1099
|
-
self,
|
1100
|
-
values: list[str],
|
1101
|
-
df: pd.DataFrame | None = None, # remove when all users use schema
|
1102
|
-
dtype: str | None = None,
|
1103
|
-
**create_kwargs,
|
1104
|
-
) -> None:
|
1105
|
-
"""Add new labels to the registry."""
|
1106
|
-
from lamindb.models.save import save as ln_save
|
1107
|
-
|
1108
|
-
registry = self._field.field.model
|
1109
|
-
field_name = self._field.field.name
|
1110
|
-
non_validated_records: RecordList[Any] = [] # type: ignore
|
1111
|
-
if df is not None and registry == Feature:
|
1112
|
-
nonval_columns = Feature.inspect(df.columns, mute=True).non_validated
|
1113
|
-
non_validated_records = Feature.from_df(df.loc[:, nonval_columns])
|
1114
|
-
else:
|
1115
|
-
if (
|
1116
|
-
self._organism
|
1117
|
-
and hasattr(registry, "organism")
|
1118
|
-
and registry._meta.get_field("organism").is_relation
|
1119
|
-
):
|
1120
|
-
# make sure organism record is saved to the current instance
|
1121
|
-
create_kwargs["organism"] = _save_organism(name=self._organism)
|
1122
|
-
|
1123
|
-
for value in values:
|
1124
|
-
init_kwargs = {field_name: value}
|
1125
|
-
if registry == Feature:
|
1126
|
-
init_kwargs["dtype"] = "cat" if dtype is None else dtype
|
1127
|
-
non_validated_records.append(registry(**init_kwargs, **create_kwargs))
|
1128
|
-
if len(non_validated_records) > 0:
|
1129
|
-
ln_save(non_validated_records)
|
1130
|
-
model_field = colors.italic(registry.__get_name_with_module__())
|
1131
|
-
s = "s" if len(values) > 1 else ""
|
1132
|
-
logger.success(
|
1133
|
-
f'added {len(values)} record{s} with {model_field} for "{self._key}": {_format_values(values)}'
|
1134
|
-
)
|
1135
|
-
|
1136
|
-
def _validate(
|
1137
|
-
self,
|
1138
|
-
values: list[str],
|
1139
|
-
curator: CatManager | None = None, # TODO: not yet used
|
1140
|
-
) -> tuple[list[str], dict]:
|
1141
|
-
"""Validate ontology terms using LaminDB registries."""
|
1142
|
-
registry = self._field.field.model
|
1143
|
-
field_name = self._field.field.name
|
1144
|
-
model_field = f"{registry.__name__}.{field_name}"
|
1145
|
-
|
1146
|
-
def _log_mapping_info():
|
1147
|
-
logger.indent = ""
|
1148
|
-
logger.info(f'mapping "{self._key}" on {colors.italic(model_field)}')
|
1149
|
-
logger.indent = " "
|
1150
|
-
|
1151
|
-
kwargs_current = get_current_filter_kwargs(
|
1152
|
-
registry, {"organism": self._organism, "source": self._source}
|
1153
|
-
)
|
1154
|
-
|
1155
|
-
# inspect values from the default instance, excluding public
|
1156
|
-
inspect_result = registry.inspect(
|
1157
|
-
values, field=self._field, mute=True, from_source=False, **kwargs_current
|
1158
|
-
)
|
1159
|
-
non_validated = inspect_result.non_validated
|
1160
|
-
syn_mapper = inspect_result.synonyms_mapper
|
1161
|
-
|
1162
|
-
# inspect the non-validated values from public (BioRecord only)
|
1163
|
-
values_validated = []
|
1164
|
-
if hasattr(registry, "public"):
|
1165
|
-
public_records = registry.from_values(
|
1166
|
-
non_validated,
|
1167
|
-
field=self._field,
|
1168
|
-
mute=True,
|
1169
|
-
**kwargs_current,
|
1170
|
-
)
|
1171
|
-
values_validated += [getattr(r, field_name) for r in public_records]
|
1172
|
-
|
1173
|
-
# logging messages
|
1174
|
-
non_validated_hint_print = f'.add_new_from("{self._key}")'
|
1175
|
-
non_validated = [i for i in non_validated if i not in values_validated]
|
1176
|
-
n_non_validated = len(non_validated)
|
1177
|
-
if n_non_validated == 0:
|
1178
|
-
logger.indent = ""
|
1179
|
-
logger.success(
|
1180
|
-
f'"{self._key}" is validated against {colors.italic(model_field)}'
|
1181
|
-
)
|
1182
|
-
return [], {}
|
1183
|
-
else:
|
1184
|
-
are = "is" if n_non_validated == 1 else "are"
|
1185
|
-
s = "" if n_non_validated == 1 else "s"
|
1186
|
-
print_values = _format_values(non_validated)
|
1187
|
-
warning_message = f"{colors.red(f'{n_non_validated} term{s}')} {are} not validated: {colors.red(print_values)}\n"
|
1188
|
-
if syn_mapper:
|
1189
|
-
s = "" if len(syn_mapper) == 1 else "s"
|
1190
|
-
syn_mapper_print = _format_values(
|
1191
|
-
[f'"{k}" → "{v}"' for k, v in syn_mapper.items()], sep=""
|
1192
|
-
)
|
1193
|
-
hint_msg = f'.standardize("{self._key}")'
|
1194
|
-
warning_message += f" {colors.yellow(f'{len(syn_mapper)} synonym{s}')} found: {colors.yellow(syn_mapper_print)}\n → curate synonyms via {colors.cyan(hint_msg)}"
|
1195
|
-
if n_non_validated > len(syn_mapper):
|
1196
|
-
if syn_mapper:
|
1197
|
-
warning_message += "\n for remaining terms:\n"
|
1198
|
-
warning_message += f" → fix typos, remove non-existent values, or save terms via {colors.cyan(non_validated_hint_print)}"
|
1199
|
-
|
1200
|
-
if logger.indent == "":
|
1201
|
-
_log_mapping_info()
|
1202
|
-
logger.warning(warning_message)
|
1203
|
-
if curator is not None:
|
1204
|
-
curator._validate_category_error_messages = strip_ansi_codes(
|
1205
|
-
warning_message
|
1206
|
-
)
|
1207
|
-
logger.indent = ""
|
1208
|
-
return non_validated, syn_mapper
|
1209
|
-
|
1210
|
-
def validate(self) -> None:
|
1211
|
-
"""Validate the column."""
|
1212
|
-
# add source-validated values to the registry
|
1213
|
-
self._validated, self._non_validated = self._add_validated()
|
1214
|
-
self._non_validated, self._synonyms = self._validate(values=self._non_validated)
|
1215
|
-
# always register new Features if they are columns
|
1216
|
-
if self._key == "columns" and self._field == Feature.name:
|
1217
|
-
self.add_new()
|
1218
|
-
|
1219
|
-
def standardize(self) -> None:
|
1220
|
-
"""Standardize the column."""
|
1221
|
-
registry = self._field.field.model
|
1222
|
-
if not hasattr(registry, "standardize"):
|
1223
|
-
return self.values
|
1224
|
-
if self._synonyms is None:
|
1225
|
-
self.validate()
|
1226
|
-
# get standardized values
|
1227
|
-
std_values = self._replace_synonyms()
|
1228
|
-
# update non_validated values
|
1229
|
-
self._non_validated = [
|
1230
|
-
i for i in self._non_validated if i not in self._synonyms.keys()
|
1231
|
-
]
|
1232
|
-
# remove synonyms since they are now standardized
|
1233
|
-
self._synonyms = {}
|
1234
|
-
# update the values with the standardized values
|
1235
|
-
self.values = std_values
|
1236
|
-
|
1237
|
-
def add_new(self, **create_kwargs) -> None:
|
1238
|
-
"""Add new values to the registry."""
|
1239
|
-
if self._non_validated is None:
|
1240
|
-
self.validate()
|
1241
|
-
if len(self._synonyms) > 0:
|
1242
|
-
# raise error because .standardize modifies the input dataset
|
1243
|
-
raise ValidationError(
|
1244
|
-
"Please run `.standardize()` before adding new values."
|
1245
|
-
)
|
1246
|
-
self._add_new(
|
1247
|
-
values=self._non_validated,
|
1248
|
-
**create_kwargs,
|
1249
|
-
)
|
1250
|
-
# remove the non_validated values since they are now registered
|
1251
|
-
self._non_validated = []
|
1252
|
-
|
1253
|
-
|
1254
|
-
class CatManager:
|
1255
|
-
"""Manage categoricals by updating registries.
|
1256
|
-
|
1257
|
-
This class is accessible from within a `DataFrameCurator` via the `.cat` attribute.
|
1258
|
-
|
1259
|
-
If you find non-validated values, you have several options:
|
1260
|
-
|
1261
|
-
- new values found in the data can be registered via `DataFrameCurator.cat.add_new_from()` :meth:`~lamindb.curators.DataFrameCatManager.add_new_from`
|
1262
|
-
- non-validated values can be accessed via `DataFrameCurator.cat.add_new_from()` :meth:`~lamindb.curators.DataFrameCatManager.non_validated` and addressed manually
|
1263
|
-
"""
|
1264
|
-
|
1265
|
-
def __init__(self, *, dataset, categoricals, sources, columns_field=None):
|
1266
|
-
# the below is shared with Curator
|
1267
|
-
self._artifact: Artifact = None # pass the dataset as an artifact
|
1268
|
-
self._dataset: Any = dataset # pass the dataset as a UPathStr or data object
|
1269
|
-
if isinstance(self._dataset, Artifact):
|
1270
|
-
self._artifact = self._dataset
|
1271
|
-
if self._artifact.otype in {"DataFrame", "AnnData"}:
|
1272
|
-
self._dataset = self._dataset.load(
|
1273
|
-
is_run_input=False # we already track this in the Curator constructor
|
1274
|
-
)
|
1275
|
-
self._is_validated: bool = False
|
1276
|
-
# shared until here
|
1277
|
-
self._categoricals = categoricals or {}
|
1278
|
-
self._non_validated = None
|
1279
|
-
self._sources = sources or {}
|
1280
|
-
self._columns_field = columns_field
|
1281
|
-
self._validate_category_error_messages: str = ""
|
1282
|
-
self._cat_columns: dict[str, CatColumn] = {}
|
1283
|
-
|
1284
|
-
@property
|
1285
|
-
def non_validated(self) -> dict[str, list[str]]:
|
1286
|
-
"""Return the non-validated features and labels."""
|
1287
|
-
if self._non_validated is None:
|
1288
|
-
raise ValidationError("Please run validate() first!")
|
1289
|
-
return {
|
1290
|
-
key: cat_column._non_validated
|
1291
|
-
for key, cat_column in self._cat_columns.items()
|
1292
|
-
if cat_column._non_validated and key != "columns"
|
1293
|
-
}
|
1294
|
-
|
1295
|
-
@property
|
1296
|
-
def categoricals(self) -> dict:
|
1297
|
-
"""Return the columns fields to validate against."""
|
1298
|
-
return self._categoricals
|
1299
|
-
|
1300
|
-
def validate(self) -> bool:
|
1301
|
-
"""Validate dataset.
|
1302
|
-
|
1303
|
-
This method also registers the validated records in the current instance.
|
1304
|
-
|
1305
|
-
Returns:
|
1306
|
-
The boolean `True` if the dataset is validated. Otherwise, a string with the error message.
|
1307
|
-
"""
|
1308
|
-
pass # pragma: no cover
|
1309
|
-
|
1310
|
-
def standardize(self, key: str) -> None:
|
1311
|
-
"""Replace synonyms with standardized values.
|
1312
|
-
|
1313
|
-
Inplace modification of the dataset.
|
1314
|
-
|
1315
|
-
Args:
|
1316
|
-
key: The name of the column to standardize.
|
1317
|
-
|
1318
|
-
Returns:
|
1319
|
-
None
|
1320
|
-
"""
|
1321
|
-
pass # pragma: no cover
|
1322
|
-
|
1323
|
-
@doc_args(SAVE_ARTIFACT_DOCSTRING)
|
1324
|
-
def save_artifact(
|
1325
|
-
self,
|
1326
|
-
*,
|
1327
|
-
key: str | None = None,
|
1328
|
-
description: str | None = None,
|
1329
|
-
revises: Artifact | None = None,
|
1330
|
-
run: Run | None = None,
|
1331
|
-
) -> Artifact:
|
1332
|
-
"""{}""" # noqa: D415
|
1333
|
-
# Make sure all labels are saved in the current instance
|
1334
|
-
if not self._is_validated:
|
1335
|
-
self.validate() # returns True or False
|
1336
|
-
if not self._is_validated: # need to raise error manually
|
1337
|
-
raise ValidationError("Dataset does not validate. Please curate.")
|
1338
|
-
|
1339
|
-
if self._artifact is None:
|
1340
|
-
if isinstance(self._dataset, pd.DataFrame):
|
1341
|
-
artifact = Artifact.from_df(
|
1342
|
-
self._dataset,
|
1343
|
-
key=key,
|
1344
|
-
description=description,
|
1345
|
-
revises=revises,
|
1346
|
-
run=run,
|
1347
|
-
)
|
1348
|
-
elif isinstance(self._dataset, AnnData):
|
1349
|
-
artifact = Artifact.from_anndata(
|
1350
|
-
self._dataset,
|
1351
|
-
key=key,
|
1352
|
-
description=description,
|
1353
|
-
revises=revises,
|
1354
|
-
run=run,
|
1355
|
-
)
|
1356
|
-
elif data_is_mudata(self._dataset):
|
1357
|
-
artifact = Artifact.from_mudata(
|
1358
|
-
self._dataset,
|
1359
|
-
key=key,
|
1360
|
-
description=description,
|
1361
|
-
revises=revises,
|
1362
|
-
run=run,
|
1363
|
-
)
|
1364
|
-
elif data_is_spatialdata(self._dataset):
|
1365
|
-
artifact = Artifact.from_spatialdata(
|
1366
|
-
self._dataset,
|
1367
|
-
key=key,
|
1368
|
-
description=description,
|
1369
|
-
revises=revises,
|
1370
|
-
run=run,
|
1371
|
-
)
|
1372
|
-
else:
|
1373
|
-
raise InvalidArgument( # pragma: no cover
|
1374
|
-
"data must be one of pd.Dataframe, AnnData, MuData, SpatialData."
|
1375
|
-
)
|
1376
|
-
self._artifact = artifact.save()
|
1377
|
-
annotate_artifact( # type: ignore
|
1378
|
-
self._artifact,
|
1379
|
-
index_field=self._columns_field,
|
1380
|
-
cat_columns=self._cat_columns,
|
1381
|
-
)
|
1382
|
-
return self._artifact
|
1383
|
-
|
1384
|
-
|
1385
|
-
class DataFrameCatManager(CatManager):
|
1386
|
-
"""Categorical manager for `DataFrame`."""
|
1387
|
-
|
1388
|
-
def __init__(
|
1389
|
-
self,
|
1390
|
-
df: pd.DataFrame | Artifact,
|
1391
|
-
columns: FieldAttr = Feature.name,
|
1392
|
-
categoricals: list[Feature] | dict[str, FieldAttr] | None = None,
|
1393
|
-
sources: dict[str, Record] | None = None,
|
1394
|
-
) -> None:
|
1395
|
-
self._non_validated = None
|
1396
|
-
super().__init__(
|
1397
|
-
dataset=df,
|
1398
|
-
columns_field=columns,
|
1399
|
-
categoricals=categoricals,
|
1400
|
-
sources=sources,
|
1401
|
-
)
|
1402
|
-
if columns == Feature.name:
|
1403
|
-
if isinstance(self._categoricals, list):
|
1404
|
-
values = [feature.name for feature in self._categoricals]
|
1405
|
-
else:
|
1406
|
-
values = list(self._categoricals.keys())
|
1407
|
-
self._cat_columns["columns"] = CatColumn(
|
1408
|
-
values_getter=values,
|
1409
|
-
field=self._columns_field,
|
1410
|
-
key="columns" if isinstance(self._dataset, pd.DataFrame) else "keys",
|
1411
|
-
source=self._sources.get("columns"),
|
1412
|
-
)
|
1413
|
-
self._cat_columns["columns"].validate()
|
1414
|
-
else:
|
1415
|
-
# NOTE: for var_index right now
|
1416
|
-
self._cat_columns["columns"] = CatColumn(
|
1417
|
-
values_getter=lambda: self._dataset.columns, # lambda ensures the inplace update
|
1418
|
-
values_setter=lambda new_values: setattr(
|
1419
|
-
self._dataset, "columns", pd.Index(new_values)
|
1420
|
-
),
|
1421
|
-
field=self._columns_field,
|
1422
|
-
key="columns",
|
1423
|
-
source=self._sources.get("columns"),
|
1424
|
-
)
|
1425
|
-
if isinstance(self._categoricals, list):
|
1426
|
-
for feature in self._categoricals:
|
1427
|
-
result = parse_dtype(feature.dtype)[
|
1428
|
-
0
|
1429
|
-
] # TODO: support composite dtypes for categoricals
|
1430
|
-
key = feature.name
|
1431
|
-
field = result["field"]
|
1432
|
-
self._cat_columns[key] = CatColumn(
|
1433
|
-
values_getter=lambda k=key: self._dataset[
|
1434
|
-
k
|
1435
|
-
], # Capture key as default argument
|
1436
|
-
values_setter=lambda new_values, k=key: self._dataset.__setitem__(
|
1437
|
-
k, new_values
|
1438
|
-
),
|
1439
|
-
field=field,
|
1440
|
-
key=key,
|
1441
|
-
source=self._sources.get(key),
|
1442
|
-
feature=feature,
|
1443
|
-
)
|
1444
|
-
else:
|
1445
|
-
# below is for backward compat of ln.Curator.from_df()
|
1446
|
-
for key, field in self._categoricals.items():
|
1447
|
-
self._cat_columns[key] = CatColumn(
|
1448
|
-
values_getter=lambda k=key: self._dataset[
|
1449
|
-
k
|
1450
|
-
], # Capture key as default argument
|
1451
|
-
values_setter=lambda new_values, k=key: self._dataset.__setitem__(
|
1452
|
-
k, new_values
|
1453
|
-
),
|
1454
|
-
field=field,
|
1455
|
-
key=key,
|
1456
|
-
source=self._sources.get(key),
|
1457
|
-
feature=Feature.get(name=key),
|
1458
|
-
)
|
1459
|
-
|
1460
|
-
def lookup(self, public: bool = False) -> CatLookup:
|
1461
|
-
"""Lookup categories.
|
1462
|
-
|
1463
|
-
Args:
|
1464
|
-
public: If "public", the lookup is performed on the public reference.
|
1465
|
-
"""
|
1466
|
-
return CatLookup(
|
1467
|
-
categoricals=self._categoricals,
|
1468
|
-
slots={"columns": self._columns_field},
|
1469
|
-
public=public,
|
1470
|
-
sources=self._sources,
|
1471
|
-
)
|
1472
|
-
|
1473
|
-
def validate(self) -> bool:
|
1474
|
-
"""Validate variables and categorical observations."""
|
1475
|
-
self._validate_category_error_messages = "" # reset the error messages
|
1476
|
-
|
1477
|
-
validated = True
|
1478
|
-
for _, cat_column in self._cat_columns.items():
|
1479
|
-
cat_column.validate()
|
1480
|
-
validated &= cat_column.is_validated
|
1481
|
-
self._is_validated = validated
|
1482
|
-
self._non_validated = {} # so it's no longer None
|
1483
|
-
|
1484
|
-
return self._is_validated
|
1485
|
-
|
1486
|
-
def standardize(self, key: str) -> None:
|
1487
|
-
"""Replace synonyms with standardized values.
|
1488
|
-
|
1489
|
-
Modifies the input dataset inplace.
|
1490
|
-
|
1491
|
-
Args:
|
1492
|
-
key: The key referencing the column in the DataFrame to standardize.
|
1493
|
-
"""
|
1494
|
-
if self._artifact is not None:
|
1495
|
-
raise RuntimeError("can't mutate the dataset when an artifact is passed!")
|
1496
|
-
|
1497
|
-
if key == "all":
|
1498
|
-
logger.warning(
|
1499
|
-
"'all' is deprecated, please pass a single key from `.non_validated.keys()` instead!"
|
1500
|
-
)
|
1501
|
-
for k in self.non_validated.keys():
|
1502
|
-
self._cat_columns[k].standardize()
|
1503
|
-
else:
|
1504
|
-
self._cat_columns[key].standardize()
|
1505
|
-
|
1506
|
-
def add_new_from(self, key: str, **kwargs):
|
1507
|
-
"""Add validated & new categories.
|
1508
|
-
|
1509
|
-
Args:
|
1510
|
-
key: The key referencing the slot in the DataFrame from which to draw terms.
|
1511
|
-
**kwargs: Additional keyword arguments to pass to create new records
|
1512
|
-
"""
|
1513
|
-
if len(kwargs) > 0 and key == "all":
|
1514
|
-
raise ValueError("Cannot pass additional arguments to 'all' key!")
|
1515
|
-
if key == "all":
|
1516
|
-
logger.warning(
|
1517
|
-
"'all' is deprecated, please pass a single key from `.non_validated.keys()` instead!"
|
1518
|
-
)
|
1519
|
-
for k in self.non_validated.keys():
|
1520
|
-
self._cat_columns[k].add_new(**kwargs)
|
1521
|
-
else:
|
1522
|
-
self._cat_columns[key].add_new(**kwargs)
|
1523
|
-
|
1524
|
-
@deprecated(
|
1525
|
-
new_name="Run.filter(transform=context.run.transform, output_artifacts=None)"
|
1526
|
-
)
|
1527
|
-
def clean_up_failed_runs(self):
|
1528
|
-
"""Clean up previous failed runs that don't save any outputs."""
|
1529
|
-
from lamindb.core._context import context
|
1530
|
-
|
1531
|
-
if context.run is not None:
|
1532
|
-
Run.filter(transform=context.run.transform, output_artifacts=None).exclude(
|
1533
|
-
uid=context.run.uid
|
1534
|
-
).delete()
|
1535
|
-
|
1536
|
-
|
1537
|
-
class AnnDataCatManager(CatManager):
|
1538
|
-
"""Categorical manager for `AnnData`."""
|
1539
|
-
|
1540
|
-
def __init__(
|
1541
|
-
self,
|
1542
|
-
data: ad.AnnData | Artifact,
|
1543
|
-
var_index: FieldAttr | None = None,
|
1544
|
-
categoricals: dict[str, FieldAttr] | None = None,
|
1545
|
-
obs_columns: FieldAttr = Feature.name,
|
1546
|
-
sources: dict[str, Record] | None = None,
|
1547
|
-
) -> None:
|
1548
|
-
if isinstance(var_index, str):
|
1549
|
-
raise TypeError(
|
1550
|
-
"var_index parameter has to be a field, e.g. Gene.ensembl_gene_id"
|
1551
|
-
)
|
1552
|
-
|
1553
|
-
if not data_is_anndata(data):
|
1554
|
-
raise TypeError("data has to be an AnnData object")
|
1555
|
-
|
1556
|
-
if "symbol" in str(var_index):
|
1557
|
-
logger.warning(
|
1558
|
-
"indexing datasets with gene symbols can be problematic: https://docs.lamin.ai/faq/symbol-mapping"
|
1559
|
-
)
|
1560
|
-
|
1561
|
-
self._obs_fields = categoricals or {}
|
1562
|
-
self._var_field = var_index
|
1563
|
-
self._sources = sources or {}
|
1564
|
-
super().__init__(
|
1565
|
-
dataset=data,
|
1566
|
-
categoricals=categoricals,
|
1567
|
-
sources=self._sources,
|
1568
|
-
columns_field=var_index,
|
1569
|
-
)
|
1570
|
-
self._adata = self._dataset
|
1571
|
-
self._obs_df_curator = DataFrameCatManager(
|
1572
|
-
df=self._adata.obs,
|
1573
|
-
categoricals=self.categoricals,
|
1574
|
-
columns=obs_columns,
|
1575
|
-
sources=self._sources,
|
1576
|
-
)
|
1577
|
-
self._cat_columns = self._obs_df_curator._cat_columns.copy()
|
1578
|
-
if var_index is not None:
|
1579
|
-
self._cat_columns["var_index"] = CatColumn(
|
1580
|
-
values_getter=lambda: self._adata.var.index,
|
1581
|
-
values_setter=lambda new_values: setattr(
|
1582
|
-
self._adata.var, "index", pd.Index(new_values)
|
1583
|
-
),
|
1584
|
-
field=self._var_field,
|
1585
|
-
key="var_index",
|
1586
|
-
source=self._sources.get("var_index"),
|
1587
|
-
)
|
1588
|
-
|
1589
|
-
@property
|
1590
|
-
def var_index(self) -> FieldAttr:
|
1591
|
-
"""Return the registry field to validate variables index against."""
|
1592
|
-
return self._var_field
|
1593
|
-
|
1594
|
-
@property
|
1595
|
-
def categoricals(self) -> dict:
|
1596
|
-
"""Return the obs fields to validate against."""
|
1597
|
-
return self._obs_fields
|
1598
|
-
|
1599
|
-
def lookup(self, public: bool = False) -> CatLookup:
|
1600
|
-
"""Lookup categories.
|
1601
|
-
|
1602
|
-
Args:
|
1603
|
-
public: If "public", the lookup is performed on the public reference.
|
1604
|
-
"""
|
1605
|
-
return CatLookup(
|
1606
|
-
categoricals=self._obs_fields,
|
1607
|
-
slots={"columns": self._columns_field, "var_index": self._var_field},
|
1608
|
-
public=public,
|
1609
|
-
sources=self._sources,
|
1610
|
-
)
|
1611
|
-
|
1612
|
-
def add_new_from(self, key: str, **kwargs):
|
1613
|
-
"""Add validated & new categories.
|
1614
|
-
|
1615
|
-
Args:
|
1616
|
-
key: The key referencing the slot in the DataFrame from which to draw terms.
|
1617
|
-
**kwargs: Additional keyword arguments to pass to create new records
|
1618
|
-
"""
|
1619
|
-
if key == "all":
|
1620
|
-
logger.warning(
|
1621
|
-
"'all' is deprecated, please pass a single key from `.non_validated.keys()` instead!"
|
1622
|
-
)
|
1623
|
-
for k in self.non_validated.keys():
|
1624
|
-
self._cat_columns[k].add_new(**kwargs)
|
1625
|
-
else:
|
1626
|
-
self._cat_columns[key].add_new(**kwargs)
|
1627
|
-
|
1628
|
-
@deprecated(new_name="add_new_from('var_index')")
|
1629
|
-
def add_new_from_var_index(self, **kwargs):
|
1630
|
-
"""Update variable records.
|
1631
|
-
|
1632
|
-
Args:
|
1633
|
-
**kwargs: Additional keyword arguments to pass to create new records.
|
1634
|
-
"""
|
1635
|
-
self.add_new_from(key="var_index", **kwargs)
|
1636
|
-
|
1637
|
-
def validate(self) -> bool:
|
1638
|
-
"""Validate categories.
|
1639
|
-
|
1640
|
-
This method also registers the validated records in the current instance.
|
1641
|
-
|
1642
|
-
Returns:
|
1643
|
-
Whether the AnnData object is validated.
|
1644
|
-
"""
|
1645
|
-
self._validate_category_error_messages = "" # reset the error messages
|
1646
|
-
|
1647
|
-
validated = True
|
1648
|
-
for _, cat_column in self._cat_columns.items():
|
1649
|
-
cat_column.validate()
|
1650
|
-
validated &= cat_column.is_validated
|
1651
|
-
|
1652
|
-
self._non_validated = {} # so it's no longer None
|
1653
|
-
self._is_validated = validated
|
1654
|
-
return self._is_validated
|
1655
|
-
|
1656
|
-
def standardize(self, key: str):
|
1657
|
-
"""Replace synonyms with standardized values.
|
1658
|
-
|
1659
|
-
Args:
|
1660
|
-
key: The key referencing the slot in `adata.obs` from which to draw terms. Same as the key in `categoricals`.
|
1661
|
-
|
1662
|
-
- If "var_index", standardize the var.index.
|
1663
|
-
- If "all", standardize all obs columns and var.index.
|
1664
|
-
|
1665
|
-
Inplace modification of the dataset.
|
1666
|
-
"""
|
1667
|
-
if self._artifact is not None:
|
1668
|
-
raise RuntimeError("can't mutate the dataset when an artifact is passed!")
|
1669
|
-
if key == "all":
|
1670
|
-
logger.warning(
|
1671
|
-
"'all' is deprecated, please pass a single key from `.non_validated.keys()` instead!"
|
1672
|
-
)
|
1673
|
-
for k in self.non_validated.keys():
|
1674
|
-
self._cat_columns[k].standardize()
|
1675
|
-
else:
|
1676
|
-
self._cat_columns[key].standardize()
|
1677
|
-
|
1678
|
-
|
1679
|
-
@deprecated(new_name="MuDataCurator")
|
1680
|
-
class MuDataCatManager(CatManager):
|
1681
|
-
"""Categorical manager for `MuData`."""
|
1682
|
-
|
1683
|
-
def __init__(
|
1684
|
-
self,
|
1685
|
-
mdata: MuData | Artifact,
|
1686
|
-
var_index: dict[str, FieldAttr] | None = None,
|
1687
|
-
categoricals: dict[str, FieldAttr] | None = None,
|
1688
|
-
sources: dict[str, Record] | None = None,
|
1689
|
-
) -> None:
|
1690
|
-
super().__init__(
|
1691
|
-
dataset=mdata,
|
1692
|
-
categoricals={},
|
1693
|
-
sources=sources,
|
1694
|
-
)
|
1695
|
-
self._columns_field = (
|
1696
|
-
var_index or {}
|
1697
|
-
) # this is for consistency with BaseCatManager
|
1698
|
-
self._var_fields = var_index or {}
|
1699
|
-
self._verify_modality(self._var_fields.keys())
|
1700
|
-
self._obs_fields = self._parse_categoricals(categoricals or {})
|
1701
|
-
self._modalities = set(self._var_fields.keys()) | set(self._obs_fields.keys())
|
1702
|
-
self._obs_df_curator = None
|
1703
|
-
if "obs" in self._modalities:
|
1704
|
-
self._obs_df_curator = DataFrameCatManager(
|
1705
|
-
df=self._dataset.obs,
|
1706
|
-
columns=Feature.name,
|
1707
|
-
categoricals=self._obs_fields.get("obs", {}),
|
1708
|
-
sources=self._sources.get("obs"),
|
1709
|
-
)
|
1710
|
-
self._mod_adata_curators = {
|
1711
|
-
modality: AnnDataCatManager(
|
1712
|
-
data=self._dataset[modality],
|
1713
|
-
var_index=var_index.get(modality),
|
1714
|
-
categoricals=self._obs_fields.get(modality),
|
1715
|
-
sources=self._sources.get(modality),
|
1716
|
-
)
|
1717
|
-
for modality in self._modalities
|
1718
|
-
if modality != "obs"
|
1719
|
-
}
|
1720
|
-
self._non_validated = None
|
1721
|
-
|
1722
|
-
@property
|
1723
|
-
def var_index(self) -> FieldAttr:
|
1724
|
-
"""Return the registry field to validate variables index against."""
|
1725
|
-
return self._var_fields
|
1726
|
-
|
1727
|
-
@property
|
1728
|
-
def categoricals(self) -> dict:
|
1729
|
-
"""Return the obs fields to validate against."""
|
1730
|
-
return self._obs_fields
|
1731
|
-
|
1732
|
-
@property
|
1733
|
-
def non_validated(self) -> dict[str, dict[str, list[str]]]: # type: ignore
|
1734
|
-
"""Return the non-validated features and labels."""
|
1735
|
-
if self._non_validated is None:
|
1736
|
-
raise ValidationError("Please run validate() first!")
|
1737
|
-
non_validated = {}
|
1738
|
-
if (
|
1739
|
-
self._obs_df_curator is not None
|
1740
|
-
and len(self._obs_df_curator.non_validated) > 0
|
1741
|
-
):
|
1742
|
-
non_validated["obs"] = self._obs_df_curator.non_validated
|
1743
|
-
for modality, adata_curator in self._mod_adata_curators.items():
|
1744
|
-
if len(adata_curator.non_validated) > 0:
|
1745
|
-
non_validated[modality] = adata_curator.non_validated
|
1746
|
-
self._non_validated = non_validated
|
1747
|
-
return self._non_validated
|
1748
|
-
|
1749
|
-
def _verify_modality(self, modalities: Iterable[str]):
|
1750
|
-
"""Verify the modality exists."""
|
1751
|
-
for modality in modalities:
|
1752
|
-
if modality not in self._dataset.mod.keys():
|
1753
|
-
raise ValidationError(f"modality '{modality}' does not exist!")
|
1754
|
-
|
1755
|
-
def _parse_categoricals(self, categoricals: dict[str, FieldAttr]) -> dict:
|
1756
|
-
"""Parse the categorical fields."""
|
1757
|
-
prefixes = {f"{k}:" for k in self._dataset.mod.keys()}
|
1758
|
-
obs_fields: dict[str, dict[str, FieldAttr]] = {}
|
1759
|
-
for k, v in categoricals.items():
|
1760
|
-
if k not in self._dataset.obs.columns:
|
1761
|
-
raise ValidationError(f"column '{k}' does not exist in mdata.obs!")
|
1762
|
-
if any(k.startswith(prefix) for prefix in prefixes):
|
1763
|
-
modality, col = k.split(":")[0], k.split(":")[1]
|
1764
|
-
if modality not in obs_fields.keys():
|
1765
|
-
obs_fields[modality] = {}
|
1766
|
-
obs_fields[modality][col] = v
|
1767
|
-
else:
|
1768
|
-
if "obs" not in obs_fields.keys():
|
1769
|
-
obs_fields["obs"] = {}
|
1770
|
-
obs_fields["obs"][k] = v
|
1771
|
-
return obs_fields
|
1772
|
-
|
1773
|
-
def lookup(self, public: bool = False) -> CatLookup:
|
1774
|
-
"""Lookup categories.
|
1775
|
-
|
1776
|
-
Args:
|
1777
|
-
public: Perform lookup on public source ontologies.
|
1778
|
-
"""
|
1779
|
-
obs_fields = {}
|
1780
|
-
for mod, fields in self._obs_fields.items():
|
1781
|
-
for k, v in fields.items():
|
1782
|
-
if k == "obs":
|
1783
|
-
obs_fields[k] = v
|
1784
|
-
else:
|
1785
|
-
obs_fields[f"{mod}:{k}"] = v
|
1786
|
-
return CatLookup(
|
1787
|
-
categoricals=obs_fields,
|
1788
|
-
slots={
|
1789
|
-
**{f"{k}_var_index": v for k, v in self._var_fields.items()},
|
1790
|
-
},
|
1791
|
-
public=public,
|
1792
|
-
sources=self._sources,
|
1793
|
-
)
|
1794
|
-
|
1795
|
-
@deprecated(new_name="add_new_from('var_index')")
|
1796
|
-
def add_new_from_var_index(self, modality: str, **kwargs):
|
1797
|
-
"""Update variable records.
|
1798
|
-
|
1799
|
-
Args:
|
1800
|
-
modality: The modality name.
|
1801
|
-
**kwargs: Additional keyword arguments to pass to create new records.
|
1802
|
-
"""
|
1803
|
-
self._mod_adata_curators[modality].add_new_from(key="var_index", **kwargs)
|
1804
|
-
|
1805
|
-
def add_new_from(
|
1806
|
-
self,
|
1807
|
-
key: str,
|
1808
|
-
modality: str | None = None,
|
1809
|
-
**kwargs,
|
1810
|
-
):
|
1811
|
-
"""Add validated & new categories.
|
1812
|
-
|
1813
|
-
Args:
|
1814
|
-
key: The key referencing the slot in the DataFrame.
|
1815
|
-
modality: The modality name.
|
1816
|
-
**kwargs: Additional keyword arguments to pass to create new records.
|
1817
|
-
"""
|
1818
|
-
modality = modality or "obs"
|
1819
|
-
if modality in self._mod_adata_curators:
|
1820
|
-
adata_curator = self._mod_adata_curators[modality]
|
1821
|
-
adata_curator.add_new_from(key=key, **kwargs)
|
1822
|
-
if modality == "obs":
|
1823
|
-
self._obs_df_curator.add_new_from(key=key, **kwargs)
|
1824
|
-
if key == "var_index":
|
1825
|
-
self._mod_adata_curators[modality].add_new_from(key=key, **kwargs)
|
1826
|
-
|
1827
|
-
def validate(self) -> bool:
|
1828
|
-
"""Validate categories."""
|
1829
|
-
obs_validated = True
|
1830
|
-
if "obs" in self._modalities:
|
1831
|
-
logger.info('validating categoricals in "obs"...')
|
1832
|
-
obs_validated &= self._obs_df_curator.validate()
|
1833
|
-
|
1834
|
-
mods_validated = True
|
1835
|
-
for modality, adata_curator in self._mod_adata_curators.items():
|
1836
|
-
logger.info(f'validating categoricals in modality "{modality}"...')
|
1837
|
-
mods_validated &= adata_curator.validate()
|
1838
|
-
|
1839
|
-
self._non_validated = {} # so it's no longer None
|
1840
|
-
self._is_validated = obs_validated & mods_validated
|
1841
|
-
return self._is_validated
|
1842
|
-
|
1843
|
-
def standardize(self, key: str, modality: str | None = None):
|
1844
|
-
"""Replace synonyms with standardized values.
|
1845
|
-
|
1846
|
-
Args:
|
1847
|
-
key: The key referencing the slot in the `MuData`.
|
1848
|
-
modality: The modality name.
|
1849
|
-
|
1850
|
-
Inplace modification of the dataset.
|
1851
|
-
"""
|
1852
|
-
if self._artifact is not None:
|
1853
|
-
raise RuntimeError("can't mutate the dataset when an artifact is passed!")
|
1854
|
-
modality = modality or "obs"
|
1855
|
-
if modality in self._mod_adata_curators:
|
1856
|
-
adata_curator = self._mod_adata_curators[modality]
|
1857
|
-
adata_curator.standardize(key=key)
|
1858
|
-
if modality == "obs":
|
1859
|
-
self._obs_df_curator.standardize(key=key)
|
1860
|
-
|
1861
|
-
|
1862
|
-
def _maybe_curation_keys_not_present(nonval_keys: list[str], name: str):
|
1863
|
-
if (n := len(nonval_keys)) > 0:
|
1864
|
-
s = "s" if n > 1 else ""
|
1865
|
-
are = "are" if n > 1 else "is"
|
1866
|
-
raise ValidationError(
|
1867
|
-
f"key{s} passed to {name} {are} not present: {colors.yellow(_format_values(nonval_keys))}"
|
1868
|
-
)
|
1869
|
-
|
1870
|
-
|
1871
|
-
@deprecated(new_name="SpatialDataCurator")
|
1872
|
-
class SpatialDataCatManager(CatManager):
|
1873
|
-
"""Categorical manager for `SpatialData`."""
|
1874
|
-
|
1875
|
-
def __init__(
|
1876
|
-
self,
|
1877
|
-
sdata: Any,
|
1878
|
-
var_index: dict[str, FieldAttr],
|
1879
|
-
categoricals: dict[str, dict[str, FieldAttr]] | None = None,
|
1880
|
-
sources: dict[str, dict[str, Record]] | None = None,
|
1881
|
-
*,
|
1882
|
-
sample_metadata_key: str | None = "sample",
|
1883
|
-
) -> None:
|
1884
|
-
super().__init__(
|
1885
|
-
dataset=sdata,
|
1886
|
-
categoricals={},
|
1887
|
-
sources=sources,
|
1888
|
-
)
|
1889
|
-
if isinstance(sdata, Artifact):
|
1890
|
-
self._sdata = sdata.load()
|
1891
|
-
else:
|
1892
|
-
self._sdata = self._dataset
|
1893
|
-
self._sample_metadata_key = sample_metadata_key
|
1894
|
-
self._write_path = None
|
1895
|
-
self._var_fields = var_index
|
1896
|
-
self._verify_accessor_exists(self._var_fields.keys())
|
1897
|
-
self._categoricals = categoricals
|
1898
|
-
self._table_keys = set(self._var_fields.keys()) | set(
|
1899
|
-
self._categoricals.keys() - {self._sample_metadata_key}
|
1900
|
-
)
|
1901
|
-
self._sample_df_curator = None
|
1902
|
-
if self._sample_metadata_key is not None:
|
1903
|
-
self._sample_metadata = self._sdata.get_attrs(
|
1904
|
-
key=self._sample_metadata_key, return_as="df", flatten=True
|
1905
|
-
)
|
1906
|
-
self._is_validated = False
|
1907
|
-
|
1908
|
-
# Check validity of keys in categoricals
|
1909
|
-
nonval_keys = []
|
1910
|
-
for accessor, accessor_categoricals in self._categoricals.items():
|
1911
|
-
if (
|
1912
|
-
accessor == self._sample_metadata_key
|
1913
|
-
and self._sample_metadata is not None
|
1914
|
-
):
|
1915
|
-
for key in accessor_categoricals.keys():
|
1916
|
-
if key not in self._sample_metadata.columns:
|
1917
|
-
nonval_keys.append(key)
|
1918
|
-
else:
|
1919
|
-
for key in accessor_categoricals.keys():
|
1920
|
-
if key not in self._sdata[accessor].obs.columns:
|
1921
|
-
nonval_keys.append(key)
|
1922
|
-
|
1923
|
-
_maybe_curation_keys_not_present(nonval_keys, "categoricals")
|
1924
|
-
|
1925
|
-
# check validity of keys in sources
|
1926
|
-
nonval_keys = []
|
1927
|
-
for accessor, accessor_sources in self._sources.items():
|
1928
|
-
if (
|
1929
|
-
accessor == self._sample_metadata_key
|
1930
|
-
and self._sample_metadata is not None
|
1931
|
-
):
|
1932
|
-
columns = self._sample_metadata.columns
|
1933
|
-
elif accessor != self._sample_metadata_key:
|
1934
|
-
columns = self._sdata[accessor].obs.columns
|
1935
|
-
else:
|
1936
|
-
continue
|
1937
|
-
for key in accessor_sources:
|
1938
|
-
if key not in columns:
|
1939
|
-
nonval_keys.append(key)
|
1940
|
-
_maybe_curation_keys_not_present(nonval_keys, "sources")
|
1941
|
-
|
1942
|
-
# Set up sample level metadata and table Curator objects
|
1943
|
-
if (
|
1944
|
-
self._sample_metadata_key is not None
|
1945
|
-
and self._sample_metadata_key in self._categoricals
|
1946
|
-
):
|
1947
|
-
self._sample_df_curator = DataFrameCatManager(
|
1948
|
-
df=self._sample_metadata,
|
1949
|
-
columns=Feature.name,
|
1950
|
-
categoricals=self._categoricals.get(self._sample_metadata_key, {}),
|
1951
|
-
sources=self._sources.get(self._sample_metadata_key),
|
1952
|
-
)
|
1953
|
-
self._table_adata_curators = {
|
1954
|
-
table: AnnDataCatManager(
|
1955
|
-
data=self._sdata[table],
|
1956
|
-
var_index=var_index.get(table),
|
1957
|
-
categoricals=self._categoricals.get(table),
|
1958
|
-
sources=self._sources.get(table),
|
1959
|
-
)
|
1960
|
-
for table in self._table_keys
|
1961
|
-
}
|
1962
|
-
|
1963
|
-
self._non_validated = None
|
1964
|
-
|
1965
|
-
@property
|
1966
|
-
def var_index(self) -> FieldAttr:
|
1967
|
-
"""Return the registry fields to validate variables indices against."""
|
1968
|
-
return self._var_fields
|
1969
|
-
|
1970
|
-
@property
|
1971
|
-
def categoricals(self) -> dict[str, dict[str, FieldAttr]]:
|
1972
|
-
"""Return the categorical keys and fields to validate against."""
|
1973
|
-
return self._categoricals
|
1974
|
-
|
1975
|
-
@property
|
1976
|
-
def non_validated(self) -> dict[str, dict[str, list[str]]]: # type: ignore
|
1977
|
-
"""Return the non-validated features and labels."""
|
1978
|
-
if self._non_validated is None:
|
1979
|
-
raise ValidationError("Please run validate() first!")
|
1980
|
-
non_curated = {}
|
1981
|
-
if len(self._sample_df_curator.non_validated) > 0:
|
1982
|
-
non_curated[self._sample_metadata_key] = (
|
1983
|
-
self._sample_df_curator.non_validated
|
1984
|
-
)
|
1985
|
-
for table, adata_curator in self._table_adata_curators.items():
|
1986
|
-
if len(adata_curator.non_validated) > 0:
|
1987
|
-
non_curated[table] = adata_curator.non_validated
|
1988
|
-
return non_curated
|
1989
|
-
|
1990
|
-
def _verify_accessor_exists(self, accessors: Iterable[str]) -> None:
|
1991
|
-
"""Verify that the accessors exist (either a valid table or in attrs)."""
|
1992
|
-
for acc in accessors:
|
1993
|
-
is_present = False
|
1994
|
-
try:
|
1995
|
-
self._sdata.get_attrs(key=acc)
|
1996
|
-
is_present = True
|
1997
|
-
except KeyError:
|
1998
|
-
if acc in self._sdata.tables.keys():
|
1999
|
-
is_present = True
|
2000
|
-
if not is_present:
|
2001
|
-
raise ValidationError(f"Accessor '{acc}' does not exist!")
|
2002
|
-
|
2003
|
-
def lookup(self, public: bool = False) -> CatLookup:
|
2004
|
-
"""Look up categories.
|
2005
|
-
|
2006
|
-
Args:
|
2007
|
-
public: Whether the lookup is performed on the public reference.
|
2008
|
-
"""
|
2009
|
-
cat_values_dict = list(self.categoricals.values())[0]
|
2010
|
-
return CatLookup(
|
2011
|
-
categoricals=cat_values_dict,
|
2012
|
-
slots={"accessors": cat_values_dict.keys()},
|
2013
|
-
public=public,
|
2014
|
-
sources=self._sources,
|
2015
|
-
)
|
2016
|
-
|
2017
|
-
@deprecated(new_name="add_new_from('var_index')")
|
2018
|
-
def add_new_from_var_index(self, table: str, **kwargs) -> None:
|
2019
|
-
"""Save new values from ``.var.index`` of table.
|
2020
|
-
|
2021
|
-
Args:
|
2022
|
-
table: The table key.
|
2023
|
-
**kwargs: Additional keyword arguments to pass to create new records.
|
2024
|
-
"""
|
2025
|
-
if table in self.non_validated.keys():
|
2026
|
-
self._table_adata_curators[table].add_new_from(key="var_index", **kwargs)
|
2027
|
-
|
2028
|
-
def add_new_from(
|
2029
|
-
self,
|
2030
|
-
key: str,
|
2031
|
-
accessor: str | None = None,
|
2032
|
-
**kwargs,
|
2033
|
-
) -> None:
|
2034
|
-
"""Save new values of categorical from sample level metadata or table.
|
2035
|
-
|
2036
|
-
Args:
|
2037
|
-
key: The key referencing the slot in the DataFrame.
|
2038
|
-
accessor: The accessor key such as 'sample' or 'table x'.
|
2039
|
-
**kwargs: Additional keyword arguments to pass to create new records.
|
2040
|
-
"""
|
2041
|
-
if accessor in self.non_validated.keys():
|
2042
|
-
if accessor in self._table_adata_curators:
|
2043
|
-
adata_curator = self._table_adata_curators[accessor]
|
2044
|
-
adata_curator.add_new_from(key=key, **kwargs)
|
2045
|
-
if accessor == self._sample_metadata_key:
|
2046
|
-
self._sample_df_curator.add_new_from(key=key, **kwargs)
|
2047
|
-
|
2048
|
-
if key == "var_index":
|
2049
|
-
self._table_adata_curators[accessor].add_new_from(key=key, **kwargs)
|
2050
|
-
|
2051
|
-
def standardize(self, key: str, accessor: str | None = None) -> None:
|
2052
|
-
"""Replace synonyms with canonical values.
|
2053
|
-
|
2054
|
-
Modifies the dataset inplace.
|
2055
|
-
|
2056
|
-
Args:
|
2057
|
-
key: The key referencing the slot in the table or sample metadata.
|
2058
|
-
accessor: The accessor key such as 'sample_key' or 'table_key'.
|
2059
|
-
"""
|
2060
|
-
if len(self.non_validated) == 0:
|
2061
|
-
logger.warning("values are already standardized")
|
2062
|
-
return
|
2063
|
-
if self._artifact is not None:
|
2064
|
-
raise RuntimeError("can't mutate the dataset when an artifact is passed!")
|
2065
|
-
|
2066
|
-
if accessor == self._sample_metadata_key:
|
2067
|
-
if key not in self._sample_metadata.columns:
|
2068
|
-
raise ValueError(f"key '{key}' not present in '{accessor}'!")
|
2069
|
-
else:
|
2070
|
-
if (
|
2071
|
-
key == "var_index" and self._sdata.tables[accessor].var.index is None
|
2072
|
-
) or (
|
2073
|
-
key != "var_index"
|
2074
|
-
and key not in self._sdata.tables[accessor].obs.columns
|
2075
|
-
):
|
2076
|
-
raise ValueError(f"key '{key}' not present in '{accessor}'!")
|
2077
|
-
|
2078
|
-
if accessor in self._table_adata_curators.keys():
|
2079
|
-
adata_curator = self._table_adata_curators[accessor]
|
2080
|
-
adata_curator.standardize(key)
|
2081
|
-
if accessor == self._sample_metadata_key:
|
2082
|
-
self._sample_df_curator.standardize(key)
|
2083
|
-
|
2084
|
-
def validate(self) -> bool:
|
2085
|
-
"""Validate variables and categorical observations.
|
2086
|
-
|
2087
|
-
This method also registers the validated records in the current instance:
|
2088
|
-
- from public sources
|
2089
|
-
|
2090
|
-
Returns:
|
2091
|
-
Whether the SpatialData object is validated.
|
2092
|
-
"""
|
2093
|
-
# add all validated records to the current instance
|
2094
|
-
sample_validated = True
|
2095
|
-
if self._sample_df_curator:
|
2096
|
-
logger.info(f"validating categoricals of '{self._sample_metadata_key}' ...")
|
2097
|
-
sample_validated &= self._sample_df_curator.validate()
|
2098
|
-
|
2099
|
-
mods_validated = True
|
2100
|
-
for table, adata_curator in self._table_adata_curators.items():
|
2101
|
-
logger.info(f"validating categoricals of table '{table}' ...")
|
2102
|
-
mods_validated &= adata_curator.validate()
|
2103
|
-
|
2104
|
-
self._non_validated = {} # so it's no longer None
|
2105
|
-
self._is_validated = sample_validated & mods_validated
|
2106
|
-
return self._is_validated
|
2107
|
-
|
2108
|
-
def save_artifact(
|
2109
|
-
self,
|
2110
|
-
*,
|
2111
|
-
key: str | None = None,
|
2112
|
-
description: str | None = None,
|
2113
|
-
revises: Artifact | None = None,
|
2114
|
-
run: Run | None = None,
|
2115
|
-
) -> Artifact:
|
2116
|
-
"""Save the validated SpatialData store and metadata.
|
2117
|
-
|
2118
|
-
Args:
|
2119
|
-
description: A description of the dataset.
|
2120
|
-
key: A path-like key to reference artifact in default storage,
|
2121
|
-
e.g., `"myartifact.zarr"`. Artifacts with the same key form a version family.
|
2122
|
-
revises: Previous version of the artifact. Triggers a revision.
|
2123
|
-
run: The run that creates the artifact.
|
2124
|
-
|
2125
|
-
Returns:
|
2126
|
-
A saved artifact record.
|
2127
|
-
"""
|
2128
|
-
if not self._is_validated:
|
2129
|
-
self.validate()
|
2130
|
-
if not self._is_validated:
|
2131
|
-
raise ValidationError("Dataset does not validate. Please curate.")
|
2132
|
-
|
2133
|
-
self._artifact = Artifact.from_spatialdata(
|
2134
|
-
self._dataset, key=key, description=description, revises=revises, run=run
|
2135
|
-
).save()
|
2136
|
-
return annotate_artifact(
|
2137
|
-
self._artifact,
|
2138
|
-
index_field=self.var_index,
|
2139
|
-
sample_metadata_key=self._sample_metadata_key,
|
2140
|
-
)
|
2141
|
-
|
2142
|
-
|
2143
|
-
class TiledbsomaCatManager(CatManager):
|
2144
|
-
"""Categorical manager for `tiledbsoma.Experiment`."""
|
2145
|
-
|
2146
|
-
def __init__(
|
2147
|
-
self,
|
2148
|
-
experiment_uri: UPathStr | Artifact,
|
2149
|
-
var_index: dict[str, tuple[str, FieldAttr]],
|
2150
|
-
categoricals: dict[str, FieldAttr] | None = None,
|
2151
|
-
obs_columns: FieldAttr = Feature.name,
|
2152
|
-
sources: dict[str, Record] | None = None,
|
2153
|
-
):
|
2154
|
-
self._obs_fields = categoricals or {}
|
2155
|
-
self._var_fields = var_index
|
2156
|
-
self._columns_field = obs_columns
|
2157
|
-
if isinstance(experiment_uri, Artifact):
|
2158
|
-
self._dataset = experiment_uri.path
|
2159
|
-
self._artifact = experiment_uri
|
2160
|
-
else:
|
2161
|
-
self._dataset = UPath(experiment_uri)
|
2162
|
-
self._artifact = None
|
2163
|
-
self._sources = sources or {}
|
2164
|
-
|
2165
|
-
self._is_validated: bool | None = False
|
2166
|
-
self._non_validated_values: dict[str, list] | None = None
|
2167
|
-
self._validated_values: dict[str, list] = {}
|
2168
|
-
# filled by _check_save_keys
|
2169
|
-
self._n_obs: int | None = None
|
2170
|
-
self._valid_obs_keys: list[str] | None = None
|
2171
|
-
self._obs_pa_schema: pa.lib.Schema | None = (
|
2172
|
-
None # this is needed to create the obs feature set
|
2173
|
-
)
|
2174
|
-
self._valid_var_keys: list[str] | None = None
|
2175
|
-
self._var_fields_flat: dict[str, FieldAttr] | None = None
|
2176
|
-
self._check_save_keys()
|
2177
|
-
|
2178
|
-
# check that the provided keys in var_index and categoricals are available in the store
|
2179
|
-
# and save features
|
2180
|
-
def _check_save_keys(self):
|
2181
|
-
from lamindb.core.storage._tiledbsoma import _open_tiledbsoma
|
2182
|
-
|
2183
|
-
with _open_tiledbsoma(self._dataset, mode="r") as experiment:
|
2184
|
-
experiment_obs = experiment.obs
|
2185
|
-
self._n_obs = len(experiment_obs)
|
2186
|
-
self._obs_pa_schema = experiment_obs.schema
|
2187
|
-
valid_obs_keys = [
|
2188
|
-
k for k in self._obs_pa_schema.names if k != "soma_joinid"
|
2189
|
-
]
|
2190
|
-
self._valid_obs_keys = valid_obs_keys
|
2191
|
-
|
2192
|
-
valid_var_keys = []
|
2193
|
-
ms_list = []
|
2194
|
-
for ms in experiment.ms.keys():
|
2195
|
-
ms_list.append(ms)
|
2196
|
-
var_ms = experiment.ms[ms].var
|
2197
|
-
valid_var_keys += [
|
2198
|
-
f"{ms}__{k}" for k in var_ms.keys() if k != "soma_joinid"
|
2199
|
-
]
|
2200
|
-
self._valid_var_keys = valid_var_keys
|
2201
|
-
|
2202
|
-
# check validity of keys in categoricals
|
2203
|
-
nonval_keys = []
|
2204
|
-
for obs_key in self._obs_fields.keys():
|
2205
|
-
if obs_key not in valid_obs_keys:
|
2206
|
-
nonval_keys.append(obs_key)
|
2207
|
-
_maybe_curation_keys_not_present(nonval_keys, "categoricals")
|
2208
|
-
|
2209
|
-
# check validity of keys in var_index
|
2210
|
-
self._var_fields_flat = {}
|
2211
|
-
nonval_keys = []
|
2212
|
-
for ms_key in self._var_fields.keys():
|
2213
|
-
var_key, var_field = self._var_fields[ms_key]
|
2214
|
-
var_key_flat = f"{ms_key}__{var_key}"
|
2215
|
-
if var_key_flat not in valid_var_keys:
|
2216
|
-
nonval_keys.append(f"({ms_key}, {var_key})")
|
2217
|
-
else:
|
2218
|
-
self._var_fields_flat[var_key_flat] = var_field
|
2219
|
-
_maybe_curation_keys_not_present(nonval_keys, "var_index")
|
2220
|
-
|
2221
|
-
# check validity of keys in sources
|
2222
|
-
valid_arg_keys = valid_obs_keys + valid_var_keys + ["columns"]
|
2223
|
-
nonval_keys = []
|
2224
|
-
for arg_key in self._sources.keys():
|
2225
|
-
if arg_key not in valid_arg_keys:
|
2226
|
-
nonval_keys.append(arg_key)
|
2227
|
-
_maybe_curation_keys_not_present(nonval_keys, "sources")
|
2228
|
-
|
2229
|
-
# register obs columns' names
|
2230
|
-
register_columns = list(self._obs_fields.keys())
|
2231
|
-
# register categorical keys as features
|
2232
|
-
cat_column = CatColumn(
|
2233
|
-
values_getter=register_columns,
|
2234
|
-
field=self._columns_field,
|
2235
|
-
key="columns",
|
2236
|
-
source=self._sources.get("columns"),
|
2237
|
-
)
|
2238
|
-
cat_column.add_new()
|
2239
|
-
|
2240
|
-
def validate(self):
|
2241
|
-
"""Validate categories."""
|
2242
|
-
from lamindb.core.storage._tiledbsoma import _open_tiledbsoma
|
2243
|
-
|
2244
|
-
validated = True
|
2245
|
-
self._non_validated_values = {}
|
2246
|
-
with _open_tiledbsoma(self._dataset, mode="r") as experiment:
|
2247
|
-
for ms, (key, field) in self._var_fields.items():
|
2248
|
-
var_ms = experiment.ms[ms].var
|
2249
|
-
var_ms_key = f"{ms}__{key}"
|
2250
|
-
# it was already validated and cached
|
2251
|
-
if var_ms_key in self._validated_values:
|
2252
|
-
continue
|
2253
|
-
var_ms_values = (
|
2254
|
-
var_ms.read(column_names=[key]).concat()[key].to_pylist()
|
2255
|
-
)
|
2256
|
-
cat_column = CatColumn(
|
2257
|
-
values_getter=var_ms_values,
|
2258
|
-
field=field,
|
2259
|
-
key=var_ms_key,
|
2260
|
-
source=self._sources.get(var_ms_key),
|
2261
|
-
)
|
2262
|
-
cat_column.validate()
|
2263
|
-
non_val = cat_column._non_validated
|
2264
|
-
if len(non_val) > 0:
|
2265
|
-
validated = False
|
2266
|
-
self._non_validated_values[var_ms_key] = non_val
|
2267
|
-
else:
|
2268
|
-
self._validated_values[var_ms_key] = var_ms_values
|
2269
|
-
|
2270
|
-
obs = experiment.obs
|
2271
|
-
for key, field in self._obs_fields.items():
|
2272
|
-
# already validated and cached
|
2273
|
-
if key in self._validated_values:
|
2274
|
-
continue
|
2275
|
-
values = pa.compute.unique(
|
2276
|
-
obs.read(column_names=[key]).concat()[key]
|
2277
|
-
).to_pylist()
|
2278
|
-
cat_column = CatColumn(
|
2279
|
-
values_getter=values,
|
2280
|
-
field=field,
|
2281
|
-
key=key,
|
2282
|
-
source=self._sources.get(key),
|
2283
|
-
)
|
2284
|
-
cat_column.validate()
|
2285
|
-
non_val = cat_column._non_validated
|
2286
|
-
if len(non_val) > 0:
|
2287
|
-
validated = False
|
2288
|
-
self._non_validated_values[key] = non_val
|
2289
|
-
else:
|
2290
|
-
self._validated_values[key] = values
|
2291
|
-
self._is_validated = validated
|
2292
|
-
return self._is_validated
|
2293
|
-
|
2294
|
-
def _non_validated_values_field(self, key: str) -> tuple[list, FieldAttr]:
|
2295
|
-
assert self._non_validated_values is not None # noqa: S101
|
2296
|
-
|
2297
|
-
if key in self._valid_obs_keys:
|
2298
|
-
field = self._obs_fields[key]
|
2299
|
-
elif key in self._valid_var_keys:
|
2300
|
-
ms = key.partition("__")[0]
|
2301
|
-
field = self._var_fields[ms][1]
|
2302
|
-
else:
|
2303
|
-
raise KeyError(f"key {key} is invalid!")
|
2304
|
-
values = self._non_validated_values.get(key, [])
|
2305
|
-
return values, field
|
2306
|
-
|
2307
|
-
def add_new_from(self, key: str, **kwargs) -> None:
|
2308
|
-
"""Add validated & new categories.
|
2309
|
-
|
2310
|
-
Args:
|
2311
|
-
key: The key referencing the slot in the `tiledbsoma` store.
|
2312
|
-
It should be `'{measurement name}__{column name in .var}'` for columns in `.var`
|
2313
|
-
or a column name in `.obs`.
|
2314
|
-
"""
|
2315
|
-
if self._non_validated_values is None:
|
2316
|
-
raise ValidationError("Run .validate() first.")
|
2317
|
-
if key == "all":
|
2318
|
-
keys = list(self._non_validated_values.keys())
|
2319
|
-
else:
|
2320
|
-
avail_keys = list(
|
2321
|
-
chain(self._non_validated_values.keys(), self._validated_values.keys())
|
2322
|
-
)
|
2323
|
-
if key not in avail_keys:
|
2324
|
-
raise KeyError(
|
2325
|
-
f"'{key!r}' is not a valid key, available keys are: {_format_values(avail_keys + ['all'])}!"
|
2326
|
-
)
|
2327
|
-
keys = [key]
|
2328
|
-
for k in keys:
|
2329
|
-
values, field = self._non_validated_values_field(k)
|
2330
|
-
if len(values) == 0:
|
2331
|
-
continue
|
2332
|
-
cat_column = CatColumn(
|
2333
|
-
values_getter=values,
|
2334
|
-
field=field,
|
2335
|
-
key=k,
|
2336
|
-
source=self._sources.get(k),
|
2337
|
-
)
|
2338
|
-
cat_column.add_new()
|
2339
|
-
# update non-validated values list but keep the key there
|
2340
|
-
# it will be removed by .validate()
|
2341
|
-
if k in self._non_validated_values:
|
2342
|
-
self._non_validated_values[k] = []
|
2343
|
-
|
2344
|
-
@property
|
2345
|
-
def non_validated(self) -> dict[str, list]:
|
2346
|
-
"""Return the non-validated features and labels."""
|
2347
|
-
non_val = {k: v for k, v in self._non_validated_values.items() if v != []}
|
2348
|
-
return non_val
|
2349
|
-
|
2350
|
-
@property
|
2351
|
-
def var_index(self) -> dict[str, FieldAttr]:
|
2352
|
-
"""Return the registry fields with flattened keys to validate variables indices against."""
|
2353
|
-
return self._var_fields_flat
|
2354
|
-
|
2355
|
-
@property
|
2356
|
-
def categoricals(self) -> dict[str, FieldAttr]:
|
2357
|
-
"""Return the obs fields to validate against."""
|
2358
|
-
return self._obs_fields
|
2359
|
-
|
2360
|
-
def lookup(self, public: bool = False) -> CatLookup:
|
2361
|
-
"""Lookup categories.
|
2362
|
-
|
2363
|
-
Args:
|
2364
|
-
public: If "public", the lookup is performed on the public reference.
|
2365
|
-
"""
|
2366
|
-
return CatLookup(
|
2367
|
-
categoricals=self._obs_fields,
|
2368
|
-
slots={"columns": self._columns_field, **self._var_fields_flat},
|
2369
|
-
public=public,
|
2370
|
-
sources=self._sources,
|
2371
|
-
)
|
2372
|
-
|
2373
|
-
def standardize(self, key: str):
|
2374
|
-
"""Replace synonyms with standardized values.
|
2375
|
-
|
2376
|
-
Modifies the dataset inplace.
|
2377
|
-
|
2378
|
-
Args:
|
2379
|
-
key: The key referencing the slot in the `tiledbsoma` store.
|
2380
|
-
It should be `'{measurement name}__{column name in .var}'` for columns in `.var`
|
2381
|
-
or a column name in `.obs`.
|
2382
|
-
"""
|
2383
|
-
if len(self.non_validated) == 0:
|
2384
|
-
logger.warning("values are already standardized")
|
2385
|
-
return
|
2386
|
-
avail_keys = list(self._non_validated_values.keys())
|
2387
|
-
if key == "all":
|
2388
|
-
keys = avail_keys
|
2389
|
-
else:
|
2390
|
-
if key not in avail_keys:
|
2391
|
-
raise KeyError(
|
2392
|
-
f"'{key!r}' is not a valid key, available keys are: {_format_values(avail_keys + ['all'])}!"
|
2393
|
-
)
|
2394
|
-
keys = [key]
|
2395
|
-
|
2396
|
-
for k in keys:
|
2397
|
-
values, field = self._non_validated_values_field(k)
|
2398
|
-
if len(values) == 0:
|
2399
|
-
continue
|
2400
|
-
if k in self._valid_var_keys:
|
2401
|
-
ms, _, slot_key = k.partition("__")
|
2402
|
-
slot = lambda experiment: experiment.ms[ms].var # noqa: B023
|
2403
|
-
else:
|
2404
|
-
slot = lambda experiment: experiment.obs
|
2405
|
-
slot_key = k
|
2406
|
-
cat_column = CatColumn(
|
2407
|
-
values_getter=values,
|
2408
|
-
field=field,
|
2409
|
-
key=k,
|
2410
|
-
source=self._sources.get(k),
|
2411
|
-
)
|
2412
|
-
cat_column.validate()
|
2413
|
-
syn_mapper = cat_column._synonyms
|
2414
|
-
if (n_syn_mapper := len(syn_mapper)) == 0:
|
2415
|
-
continue
|
2416
|
-
|
2417
|
-
from lamindb.core.storage._tiledbsoma import _open_tiledbsoma
|
2418
|
-
|
2419
|
-
with _open_tiledbsoma(self._dataset, mode="r") as experiment:
|
2420
|
-
value_filter = f"{slot_key} in {list(syn_mapper.keys())}"
|
2421
|
-
table = slot(experiment).read(value_filter=value_filter).concat()
|
2422
|
-
|
2423
|
-
if len(table) == 0:
|
2424
|
-
continue
|
2425
|
-
|
2426
|
-
df = table.to_pandas()
|
2427
|
-
# map values
|
2428
|
-
df[slot_key] = df[slot_key].map(
|
2429
|
-
lambda val: syn_mapper.get(val, val) # noqa
|
2430
|
-
)
|
2431
|
-
# write the mapped values
|
2432
|
-
with _open_tiledbsoma(self._dataset, mode="w") as experiment:
|
2433
|
-
slot(experiment).write(pa.Table.from_pandas(df, schema=table.schema))
|
2434
|
-
# update non_validated dict
|
2435
|
-
non_val_k = [
|
2436
|
-
nv for nv in self._non_validated_values[k] if nv not in syn_mapper
|
2437
|
-
]
|
2438
|
-
self._non_validated_values[k] = non_val_k
|
2439
|
-
|
2440
|
-
syn_mapper_print = _format_values(
|
2441
|
-
[f'"{m_k}" → "{m_v}"' for m_k, m_v in syn_mapper.items()], sep=""
|
2442
|
-
)
|
2443
|
-
s = "s" if n_syn_mapper > 1 else ""
|
2444
|
-
logger.success(
|
2445
|
-
f'standardized {n_syn_mapper} synonym{s} in "{k}": {colors.green(syn_mapper_print)}'
|
2446
|
-
)
|
2447
|
-
|
2448
|
-
def save_artifact(
|
2449
|
-
self,
|
2450
|
-
*,
|
2451
|
-
key: str | None = None,
|
2452
|
-
description: str | None = None,
|
2453
|
-
revises: Artifact | None = None,
|
2454
|
-
run: Run | None = None,
|
2455
|
-
) -> Artifact:
|
2456
|
-
"""Save the validated `tiledbsoma` store and metadata.
|
2457
|
-
|
2458
|
-
Args:
|
2459
|
-
description: A description of the ``tiledbsoma`` store.
|
2460
|
-
key: A path-like key to reference artifact in default storage,
|
2461
|
-
e.g., `"myfolder/mystore.tiledbsoma"`. Artifacts with the same key form a version family.
|
2462
|
-
revises: Previous version of the artifact. Triggers a revision.
|
2463
|
-
run: The run that creates the artifact.
|
2464
|
-
|
2465
|
-
Returns:
|
2466
|
-
A saved artifact record.
|
2467
|
-
"""
|
2468
|
-
if not self._is_validated:
|
2469
|
-
self.validate()
|
2470
|
-
if not self._is_validated:
|
2471
|
-
raise ValidationError("Dataset does not validate. Please curate.")
|
2472
|
-
|
2473
|
-
if self._artifact is None:
|
2474
|
-
artifact = Artifact(
|
2475
|
-
self._dataset,
|
2476
|
-
description=description,
|
2477
|
-
key=key,
|
2478
|
-
revises=revises,
|
2479
|
-
run=run,
|
2480
|
-
)
|
2481
|
-
artifact.n_observations = self._n_obs
|
2482
|
-
artifact.otype = "tiledbsoma"
|
2483
|
-
artifact.save()
|
2484
|
-
else:
|
2485
|
-
artifact = self._artifact
|
2486
|
-
|
2487
|
-
feature_sets = {}
|
2488
|
-
if len(self._obs_fields) > 0:
|
2489
|
-
empty_dict = {field.name: [] for field in self._obs_pa_schema} # type: ignore
|
2490
|
-
mock_df = pa.Table.from_pydict(
|
2491
|
-
empty_dict, schema=self._obs_pa_schema
|
2492
|
-
).to_pandas()
|
2493
|
-
# in parallel to https://github.com/laminlabs/lamindb/blob/2a1709990b5736b480c6de49c0ada47fafc8b18d/lamindb/core/_feature_manager.py#L549-L554
|
2494
|
-
feature_sets["obs"] = Schema.from_df(
|
2495
|
-
df=mock_df,
|
2496
|
-
field=self._columns_field,
|
2497
|
-
mute=True,
|
2498
|
-
)
|
2499
|
-
for ms in self._var_fields:
|
2500
|
-
var_key, var_field = self._var_fields[ms]
|
2501
|
-
feature_sets[f"{ms}__var"] = Schema.from_values(
|
2502
|
-
values=self._validated_values[f"{ms}__{var_key}"],
|
2503
|
-
field=var_field,
|
2504
|
-
raise_validation_error=False,
|
2505
|
-
)
|
2506
|
-
artifact._staged_feature_sets = feature_sets
|
2507
|
-
|
2508
|
-
feature_ref_is_name = _ref_is_name(self._columns_field)
|
2509
|
-
features = Feature.lookup().dict()
|
2510
|
-
for key, field in self._obs_fields.items():
|
2511
|
-
feature = features.get(key)
|
2512
|
-
registry = field.field.model
|
2513
|
-
labels = registry.from_values(
|
2514
|
-
values=self._validated_values[key],
|
2515
|
-
field=field,
|
2516
|
-
)
|
2517
|
-
if len(labels) == 0:
|
2518
|
-
continue
|
2519
|
-
if hasattr(registry, "_name_field"):
|
2520
|
-
label_ref_is_name = field.field.name == registry._name_field
|
2521
|
-
add_labels(
|
2522
|
-
artifact,
|
2523
|
-
records=labels,
|
2524
|
-
feature=feature,
|
2525
|
-
feature_ref_is_name=feature_ref_is_name,
|
2526
|
-
label_ref_is_name=label_ref_is_name,
|
2527
|
-
from_curator=True,
|
2528
|
-
)
|
2529
|
-
|
2530
|
-
return artifact.save()
|
2531
|
-
|
2532
|
-
|
2533
|
-
class CellxGeneAnnDataCatManager(AnnDataCatManager):
|
2534
|
-
"""Categorical manager for `AnnData` respecting the CELLxGENE schema.
|
2535
|
-
|
2536
|
-
This will be superceded by a schema-based curation flow.
|
2537
|
-
"""
|
2538
|
-
|
2539
|
-
cxg_categoricals_defaults = {
|
2540
|
-
"cell_type": "unknown",
|
2541
|
-
"development_stage": "unknown",
|
2542
|
-
"disease": "normal",
|
2543
|
-
"donor_id": "unknown",
|
2544
|
-
"self_reported_ethnicity": "unknown",
|
2545
|
-
"sex": "unknown",
|
2546
|
-
"suspension_type": "cell",
|
2547
|
-
"tissue_type": "tissue",
|
2548
|
-
}
|
2549
|
-
|
2550
|
-
def __init__(
|
2551
|
-
self,
|
2552
|
-
adata: ad.AnnData,
|
2553
|
-
categoricals: dict[str, FieldAttr] | None = None,
|
2554
|
-
*,
|
2555
|
-
schema_version: Literal["4.0.0", "5.0.0", "5.1.0", "5.2.0"] = "5.2.0",
|
2556
|
-
defaults: dict[str, str] = None,
|
2557
|
-
extra_sources: dict[str, Record] = None,
|
2558
|
-
) -> None:
|
2559
|
-
"""CELLxGENE schema curator.
|
2560
|
-
|
2561
|
-
Args:
|
2562
|
-
adata: Path to or AnnData object to curate against the CELLxGENE schema.
|
2563
|
-
categoricals: A dictionary mapping ``.obs.columns`` to a registry field.
|
2564
|
-
The CELLxGENE Curator maps against the required CELLxGENE fields by default.
|
2565
|
-
schema_version: The CELLxGENE schema version to curate against.
|
2566
|
-
defaults: Default values that are set if columns or column values are missing.
|
2567
|
-
extra_sources: A dictionary mapping ``.obs.columns`` to Source records.
|
2568
|
-
These extra sources are joined with the CELLxGENE fixed sources.
|
2569
|
-
Use this parameter when subclassing.
|
2570
|
-
"""
|
2571
|
-
import bionty as bt
|
2572
|
-
|
2573
|
-
from ._cellxgene_schemas import (
|
2574
|
-
_add_defaults_to_obs,
|
2575
|
-
_create_sources,
|
2576
|
-
_init_categoricals_additional_values,
|
2577
|
-
_restrict_obs_fields,
|
2578
|
-
)
|
2579
|
-
|
2580
|
-
# Add defaults first to ensure that we fetch valid sources
|
2581
|
-
if defaults:
|
2582
|
-
_add_defaults_to_obs(adata.obs, defaults)
|
2583
|
-
|
2584
|
-
# Filter categoricals based on what's present in adata
|
2585
|
-
if categoricals is None:
|
2586
|
-
categoricals = self._get_cxg_categoricals()
|
2587
|
-
categoricals = _restrict_obs_fields(adata.obs, categoricals)
|
2588
|
-
|
2589
|
-
# Configure sources
|
2590
|
-
organism: Literal["human", "mouse"] = "human"
|
2591
|
-
sources = _create_sources(categoricals, schema_version, organism)
|
2592
|
-
self.schema_version = schema_version
|
2593
|
-
self.schema_reference = f"https://github.com/chanzuckerberg/single-cell-curation/blob/main/schema/{schema_version}/schema.md"
|
2594
|
-
# These sources are not a part of the cellxgene schema but rather passed through.
|
2595
|
-
# This is useful when other Curators extend the CELLxGENE curator
|
2596
|
-
if extra_sources:
|
2597
|
-
sources = sources | extra_sources
|
2598
|
-
|
2599
|
-
_init_categoricals_additional_values()
|
2600
|
-
|
2601
|
-
super().__init__(
|
2602
|
-
data=adata,
|
2603
|
-
var_index=bt.Gene.ensembl_gene_id,
|
2604
|
-
categoricals=categoricals,
|
2605
|
-
sources=sources,
|
2606
|
-
)
|
2607
|
-
|
2608
|
-
@classmethod
|
2609
|
-
def _get_cxg_categoricals(cls) -> dict[str, FieldAttr]:
|
2610
|
-
"""Returns the CELLxGENE schema mapped fields."""
|
2611
|
-
from ._cellxgene_schemas import _get_cxg_categoricals
|
2612
|
-
|
2613
|
-
return _get_cxg_categoricals()
|
2614
|
-
|
2615
|
-
def validate(self) -> bool:
|
2616
|
-
"""Validates the AnnData object against most cellxgene requirements."""
|
2617
|
-
from ._cellxgene_schemas import RESERVED_NAMES
|
2618
|
-
|
2619
|
-
# Verify that all required obs columns are present
|
2620
|
-
required_columns = list(self.cxg_categoricals_defaults.keys()) + ["donor_id"]
|
2621
|
-
missing_obs_fields = [
|
2622
|
-
name
|
2623
|
-
for name in required_columns
|
2624
|
-
if name not in self._adata.obs.columns
|
2625
|
-
and f"{name}_ontology_term_id" not in self._adata.obs.columns
|
2626
|
-
]
|
2627
|
-
if len(missing_obs_fields) > 0:
|
2628
|
-
logger.error(
|
2629
|
-
f"missing required obs columns {_format_values(missing_obs_fields)}\n"
|
2630
|
-
" → consider initializing a Curate object with `defaults=cxg.CellxGeneAnnDataCatManager.cxg_categoricals_defaults` to automatically add these columns with default values"
|
2631
|
-
)
|
2632
|
-
return False
|
2633
|
-
|
2634
|
-
# Verify that no cellxgene reserved names are present
|
2635
|
-
matched_columns = [
|
2636
|
-
column for column in self._adata.obs.columns if column in RESERVED_NAMES
|
2637
|
-
]
|
2638
|
-
if len(matched_columns) > 0:
|
2639
|
-
raise ValueError(
|
2640
|
-
f"AnnData object must not contain obs columns {matched_columns} which are"
|
2641
|
-
" reserved from previous schema versions."
|
2642
|
-
)
|
2643
|
-
|
2644
|
-
return super().validate()
|
2645
|
-
|
2646
|
-
def to_cellxgene_anndata(
|
2647
|
-
self, is_primary_data: bool, title: str | None = None
|
2648
|
-
) -> ad.AnnData:
|
2649
|
-
"""Converts the AnnData object to the cellxgene-schema input format.
|
2650
|
-
|
2651
|
-
cellxgene expects the obs fields to be {entity}_ontology_id fields and has many further requirements which are
|
2652
|
-
documented here: https://github.com/chanzuckerberg/single-cell-curation/tree/main/schema.
|
2653
|
-
This function checks for most but not all requirements of the CELLxGENE schema.
|
2654
|
-
If you want to ensure that it fully adheres to the CELLxGENE schema, run `cellxgene-schema` on the AnnData object.
|
2655
|
-
|
2656
|
-
Args:
|
2657
|
-
is_primary_data: Whether the measured data is primary data or not.
|
2658
|
-
title: Title of the AnnData object. Commonly the name of the publication.
|
2659
|
-
|
2660
|
-
Returns:
|
2661
|
-
An AnnData object which adheres to the cellxgene-schema.
|
2662
|
-
"""
|
2663
|
-
|
2664
|
-
def _convert_name_to_ontology_id(values: pd.Series, field: FieldAttr):
|
2665
|
-
"""Converts a column that stores a name into a column that stores the ontology id.
|
2666
|
-
|
2667
|
-
cellxgene expects the obs columns to be {entity}_ontology_id columns and disallows {entity} columns.
|
2668
|
-
"""
|
2669
|
-
field_name = field.field.name
|
2670
|
-
assert field_name == "name" # noqa: S101
|
2671
|
-
cols = ["name", "ontology_id"]
|
2672
|
-
registry = field.field.model
|
2673
|
-
|
2674
|
-
if hasattr(registry, "ontology_id"):
|
2675
|
-
validated_records = registry.filter(**{f"{field_name}__in": values})
|
2676
|
-
mapper = (
|
2677
|
-
pd.DataFrame(validated_records.values_list(*cols))
|
2678
|
-
.set_index(0)
|
2679
|
-
.to_dict()[1]
|
2680
|
-
)
|
2681
|
-
return values.map(mapper)
|
2682
|
-
|
2683
|
-
# Create a copy since we modify the AnnData object extensively
|
2684
|
-
adata_cxg = self._adata.copy()
|
2685
|
-
|
2686
|
-
# cellxgene requires an embedding
|
2687
|
-
embedding_pattern = r"^[a-zA-Z][a-zA-Z0-9_.-]*$"
|
2688
|
-
exclude_key = "spatial"
|
2689
|
-
matching_keys = [
|
2690
|
-
key
|
2691
|
-
for key in adata_cxg.obsm.keys()
|
2692
|
-
if re.match(embedding_pattern, key) and key != exclude_key
|
2693
|
-
]
|
2694
|
-
if len(matching_keys) == 0:
|
2695
|
-
raise ValueError(
|
2696
|
-
"Unable to find an embedding key. Please calculate an embedding."
|
2697
|
-
)
|
2698
|
-
|
2699
|
-
# convert name column to ontology_term_id column
|
2700
|
-
for column in adata_cxg.obs.columns:
|
2701
|
-
if column in self.categoricals and not column.endswith("_ontology_term_id"):
|
2702
|
-
mapped_column = _convert_name_to_ontology_id(
|
2703
|
-
adata_cxg.obs[column], field=self.categoricals.get(column)
|
2704
|
-
)
|
2705
|
-
if mapped_column is not None:
|
2706
|
-
adata_cxg.obs[f"{column}_ontology_term_id"] = mapped_column
|
2707
|
-
|
2708
|
-
# drop the name columns for ontologies. cellxgene does not allow them.
|
2709
|
-
drop_columns = [
|
2710
|
-
i
|
2711
|
-
for i in adata_cxg.obs.columns
|
2712
|
-
if f"{i}_ontology_term_id" in adata_cxg.obs.columns
|
2713
|
-
]
|
2714
|
-
adata_cxg.obs.drop(columns=drop_columns, inplace=True)
|
2715
|
-
|
2716
|
-
# Add cellxgene metadata to AnnData object
|
2717
|
-
if "is_primary_data" not in adata_cxg.obs.columns:
|
2718
|
-
adata_cxg.obs["is_primary_data"] = is_primary_data
|
2719
|
-
if "feature_is_filtered" not in adata_cxg.var.columns:
|
2720
|
-
logger.warn(
|
2721
|
-
"column 'feature_is_filtered' not present in var. Setting to default"
|
2722
|
-
" value of False."
|
2723
|
-
)
|
2724
|
-
adata_cxg.var["feature_is_filtered"] = False
|
2725
|
-
if title is None:
|
2726
|
-
raise ValueError("please pass a title!")
|
2727
|
-
else:
|
2728
|
-
adata_cxg.uns["title"] = title
|
2729
|
-
adata_cxg.uns["cxg_lamin_schema_reference"] = self.schema_reference
|
2730
|
-
adata_cxg.uns["cxg_lamin_schema_version"] = self.schema_version
|
2731
|
-
|
2732
|
-
return adata_cxg
|
2733
|
-
|
2734
|
-
|
2735
|
-
class ValueUnit:
|
2736
|
-
"""Base class for handling value-unit combinations."""
|
2737
|
-
|
2738
|
-
@staticmethod
|
2739
|
-
def parse_value_unit(value: str, is_dose: bool = True) -> tuple[str, str] | None:
|
2740
|
-
"""Parse a string containing a value and unit into a tuple."""
|
2741
|
-
if not isinstance(value, str) or not value.strip():
|
2742
|
-
return None
|
2743
|
-
|
2744
|
-
value = str(value).strip()
|
2745
|
-
match = re.match(r"^(\d*\.?\d{0,1})\s*([a-zA-ZμµΜ]+)$", value)
|
2746
|
-
|
2747
|
-
if not match:
|
2748
|
-
raise ValueError(
|
2749
|
-
f"Invalid format: {value}. Expected format: number with max 1 decimal place + unit"
|
2750
|
-
)
|
2751
|
-
|
2752
|
-
number, unit = match.groups()
|
2753
|
-
formatted_number = f"{float(number):.1f}"
|
2754
|
-
|
2755
|
-
if is_dose:
|
2756
|
-
standardized_unit = DoseHandler.standardize_unit(unit)
|
2757
|
-
if not DoseHandler.validate_unit(standardized_unit):
|
2758
|
-
raise ValueError(
|
2759
|
-
f"Invalid dose unit: {unit}. Must be convertible to one of: nM, μM, mM, M"
|
2760
|
-
)
|
2761
|
-
else:
|
2762
|
-
standardized_unit = TimeHandler.standardize_unit(unit)
|
2763
|
-
if not TimeHandler.validate_unit(standardized_unit):
|
2764
|
-
raise ValueError(
|
2765
|
-
f"Invalid time unit: {unit}. Must be convertible to one of: h, m, s, d, y"
|
2766
|
-
)
|
2767
|
-
|
2768
|
-
return formatted_number, standardized_unit
|
2769
|
-
|
2770
|
-
|
2771
|
-
class DoseHandler:
|
2772
|
-
"""Handler for dose-related operations."""
|
2773
|
-
|
2774
|
-
VALID_UNITS = {"nM", "μM", "µM", "mM", "M"}
|
2775
|
-
UNIT_MAP = {
|
2776
|
-
"nm": "nM",
|
2777
|
-
"NM": "nM",
|
2778
|
-
"um": "μM",
|
2779
|
-
"UM": "μM",
|
2780
|
-
"μm": "μM",
|
2781
|
-
"μM": "μM",
|
2782
|
-
"µm": "μM",
|
2783
|
-
"µM": "μM",
|
2784
|
-
"mm": "mM",
|
2785
|
-
"MM": "mM",
|
2786
|
-
"m": "M",
|
2787
|
-
"M": "M",
|
2788
|
-
}
|
2789
|
-
|
2790
|
-
@classmethod
|
2791
|
-
def validate_unit(cls, unit: str) -> bool:
|
2792
|
-
"""Validate if the dose unit is acceptable."""
|
2793
|
-
return unit in cls.VALID_UNITS
|
2794
|
-
|
2795
|
-
@classmethod
|
2796
|
-
def standardize_unit(cls, unit: str) -> str:
|
2797
|
-
"""Standardize dose unit to standard formats."""
|
2798
|
-
return cls.UNIT_MAP.get(unit, unit)
|
2799
|
-
|
2800
|
-
@classmethod
|
2801
|
-
def validate_values(cls, values: pd.Series) -> list[str]:
|
2802
|
-
"""Validate pert_dose values with strict case checking."""
|
2803
|
-
errors = []
|
2804
|
-
|
2805
|
-
for idx, value in values.items():
|
2806
|
-
if pd.isna(value):
|
2807
|
-
continue
|
2808
|
-
|
2809
|
-
if isinstance(value, (int, float)):
|
2810
|
-
errors.append(
|
2811
|
-
f"Row {idx} - Missing unit for dose: {value}. Must include a unit (nM, μM, mM, M)"
|
2812
|
-
)
|
2813
|
-
continue
|
2814
|
-
|
2815
|
-
try:
|
2816
|
-
ValueUnit.parse_value_unit(value, is_dose=True)
|
2817
|
-
except ValueError as e:
|
2818
|
-
errors.append(f"Row {idx} - {str(e)}")
|
2819
|
-
|
2820
|
-
return errors
|
2821
|
-
|
2822
|
-
|
2823
|
-
class TimeHandler:
|
2824
|
-
"""Handler for time-related operations."""
|
2825
|
-
|
2826
|
-
VALID_UNITS = {"h", "m", "s", "d", "y"}
|
2827
|
-
|
2828
|
-
@classmethod
|
2829
|
-
def validate_unit(cls, unit: str) -> bool:
|
2830
|
-
"""Validate if the time unit is acceptable."""
|
2831
|
-
return unit == unit.lower() and unit in cls.VALID_UNITS
|
2832
|
-
|
2833
|
-
@classmethod
|
2834
|
-
def standardize_unit(cls, unit: str) -> str:
|
2835
|
-
"""Standardize time unit to standard formats."""
|
2836
|
-
if unit.startswith("hr"):
|
2837
|
-
return "h"
|
2838
|
-
elif unit.startswith("min"):
|
2839
|
-
return "m"
|
2840
|
-
elif unit.startswith("sec"):
|
2841
|
-
return "s"
|
2842
|
-
return unit[0].lower()
|
2843
|
-
|
2844
|
-
@classmethod
|
2845
|
-
def validate_values(cls, values: pd.Series) -> list[str]:
|
2846
|
-
"""Validate pert_time values."""
|
2847
|
-
errors = []
|
2848
|
-
|
2849
|
-
for idx, value in values.items():
|
2850
|
-
if pd.isna(value):
|
2851
|
-
continue
|
2852
|
-
|
2853
|
-
if isinstance(value, (int, float)):
|
2854
|
-
errors.append(
|
2855
|
-
f"Row {idx} - Missing unit for time: {value}. Must include a unit (h, m, s, d, y)"
|
2856
|
-
)
|
2857
|
-
continue
|
2858
|
-
|
2859
|
-
try:
|
2860
|
-
ValueUnit.parse_value_unit(value, is_dose=False)
|
2861
|
-
except ValueError as e:
|
2862
|
-
errors.append(f"Row {idx} - {str(e)}")
|
2863
|
-
|
2864
|
-
return errors
|
2865
|
-
|
2866
|
-
|
2867
|
-
class PertAnnDataCatManager(CellxGeneAnnDataCatManager):
|
2868
|
-
"""Categorical manager for `AnnData` to manage perturbations."""
|
2869
|
-
|
2870
|
-
PERT_COLUMNS = {"compound", "genetic", "biologic", "physical"}
|
2871
|
-
|
2872
|
-
def __init__(
|
2873
|
-
self,
|
2874
|
-
adata: ad.AnnData,
|
2875
|
-
organism: Literal["human", "mouse"] = "human",
|
2876
|
-
pert_dose: bool = True,
|
2877
|
-
pert_time: bool = True,
|
2878
|
-
*,
|
2879
|
-
cxg_schema_version: Literal["5.0.0", "5.1.0", "5.2.0"] = "5.2.0",
|
2880
|
-
):
|
2881
|
-
"""Initialize the curator with configuration and validation settings."""
|
2882
|
-
self._pert_time = pert_time
|
2883
|
-
self._pert_dose = pert_dose
|
2884
|
-
|
2885
|
-
self._validate_initial_data(adata)
|
2886
|
-
categoricals, categoricals_defaults = self._configure_categoricals(adata)
|
2887
|
-
|
2888
|
-
super().__init__(
|
2889
|
-
adata=adata,
|
2890
|
-
categoricals=categoricals,
|
2891
|
-
defaults=categoricals_defaults,
|
2892
|
-
extra_sources=self._configure_sources(adata),
|
2893
|
-
schema_version=cxg_schema_version,
|
2894
|
-
)
|
2895
|
-
|
2896
|
-
def _configure_categoricals(self, adata: ad.AnnData):
|
2897
|
-
"""Set up default configuration values."""
|
2898
|
-
import bionty as bt
|
2899
|
-
import wetlab as wl
|
2900
|
-
|
2901
|
-
categoricals = CellxGeneAnnDataCatManager._get_cxg_categoricals() | {
|
2902
|
-
k: v
|
2903
|
-
for k, v in {
|
2904
|
-
"cell_line": bt.CellLine.name,
|
2905
|
-
"pert_target": wl.PerturbationTarget.name,
|
2906
|
-
"pert_genetic": wl.GeneticPerturbation.name,
|
2907
|
-
"pert_compound": wl.Compound.name,
|
2908
|
-
"pert_biologic": wl.Biologic.name,
|
2909
|
-
"pert_physical": wl.EnvironmentalPerturbation.name,
|
2910
|
-
}.items()
|
2911
|
-
if k in adata.obs.columns
|
2912
|
-
}
|
2913
|
-
# if "donor_id" in categoricals:
|
2914
|
-
# categoricals["donor_id"] = Donor.name
|
2915
|
-
|
2916
|
-
categoricals_defaults = CellxGeneAnnDataCatManager.cxg_categoricals_defaults | {
|
2917
|
-
"cell_line": "unknown",
|
2918
|
-
"pert_target": "unknown",
|
2919
|
-
}
|
2920
|
-
|
2921
|
-
return categoricals, categoricals_defaults
|
2922
|
-
|
2923
|
-
def _configure_sources(self, adata: ad.AnnData):
|
2924
|
-
"""Set up data sources."""
|
2925
|
-
import bionty as bt
|
2926
|
-
import wetlab as wl
|
2927
|
-
|
2928
|
-
sources = {}
|
2929
|
-
# # do not yet specify cell_line source
|
2930
|
-
# if "cell_line" in adata.obs.columns:
|
2931
|
-
# sources["cell_line"] = bt.Source.filter(
|
2932
|
-
# entity="bionty.CellLine", name="depmap"
|
2933
|
-
# ).first()
|
2934
|
-
if "pert_compound" in adata.obs.columns:
|
2935
|
-
with logger.mute():
|
2936
|
-
chebi_source = bt.Source.filter(
|
2937
|
-
entity="wetlab.Compound", name="chebi"
|
2938
|
-
).first()
|
2939
|
-
if not chebi_source:
|
2940
|
-
wl.Compound.add_source(
|
2941
|
-
bt.Source.filter(entity="Drug", name="chebi").first()
|
2942
|
-
)
|
2943
|
-
|
2944
|
-
sources["pert_compound"] = bt.Source.filter(
|
2945
|
-
entity="wetlab.Compound", name="chebi"
|
2946
|
-
).first()
|
2947
|
-
return sources
|
2948
|
-
|
2949
|
-
def _validate_initial_data(self, adata: ad.AnnData):
|
2950
|
-
"""Validate the initial data structure."""
|
2951
|
-
self._validate_required_columns(adata)
|
2952
|
-
self._validate_perturbation_types(adata)
|
2953
|
-
|
2954
|
-
def _validate_required_columns(self, adata: ad.AnnData):
|
2955
|
-
"""Validate required columns are present."""
|
2956
|
-
if "pert_target" not in adata.obs.columns:
|
2957
|
-
if (
|
2958
|
-
"pert_name" not in adata.obs.columns
|
2959
|
-
or "pert_type" not in adata.obs.columns
|
2960
|
-
):
|
2961
|
-
raise ValidationError(
|
2962
|
-
"either 'pert_target' or both 'pert_name' and 'pert_type' must be present"
|
2963
|
-
)
|
2964
|
-
else:
|
2965
|
-
if "pert_name" not in adata.obs.columns:
|
2966
|
-
logger.warning(
|
2967
|
-
"no 'pert' column found in adata.obs, will only curate 'pert_target'"
|
2968
|
-
)
|
2969
|
-
elif "pert_type" not in adata.obs.columns:
|
2970
|
-
raise ValidationError("both 'pert' and 'pert_type' must be present")
|
2971
|
-
|
2972
|
-
def _validate_perturbation_types(self, adata: ad.AnnData):
|
2973
|
-
"""Validate perturbation types."""
|
2974
|
-
if "pert_type" in adata.obs.columns:
|
2975
|
-
data_pert_types = set(adata.obs["pert_type"].unique())
|
2976
|
-
invalid_pert_types = data_pert_types - self.PERT_COLUMNS
|
2977
|
-
if invalid_pert_types:
|
2978
|
-
raise ValidationError(
|
2979
|
-
f"invalid pert_type found: {invalid_pert_types}!\n"
|
2980
|
-
f" → allowed values: {self.PERT_COLUMNS}"
|
2981
|
-
)
|
2982
|
-
self._process_perturbation_types(adata, data_pert_types)
|
2983
|
-
|
2984
|
-
def _process_perturbation_types(self, adata: ad.AnnData, pert_types: set):
|
2985
|
-
"""Process and map perturbation types."""
|
2986
|
-
for pert_type in pert_types:
|
2987
|
-
col_name = "pert_" + pert_type
|
2988
|
-
adata.obs[col_name] = adata.obs["pert_name"].where(
|
2989
|
-
adata.obs["pert_type"] == pert_type, None
|
2990
|
-
)
|
2991
|
-
if adata.obs[col_name].dtype.name == "category":
|
2992
|
-
adata.obs[col_name].cat.remove_unused_categories()
|
2993
|
-
logger.important(f"mapped 'pert_name' to '{col_name}'")
|
2994
|
-
|
2995
|
-
def validate(self) -> bool: # type: ignore
|
2996
|
-
"""Validate the AnnData object."""
|
2997
|
-
validated = super().validate()
|
2998
|
-
|
2999
|
-
if self._pert_dose:
|
3000
|
-
validated &= self._validate_dose_column()
|
3001
|
-
if self._pert_time:
|
3002
|
-
validated &= self._validate_time_column()
|
3003
|
-
|
3004
|
-
self._is_validated = validated
|
3005
|
-
|
3006
|
-
# sort columns
|
3007
|
-
first_columns = [
|
3008
|
-
"pert_target",
|
3009
|
-
"pert_genetic",
|
3010
|
-
"pert_compound",
|
3011
|
-
"pert_biologic",
|
3012
|
-
"pert_physical",
|
3013
|
-
"pert_dose",
|
3014
|
-
"pert_time",
|
3015
|
-
"organism",
|
3016
|
-
"cell_line",
|
3017
|
-
"cell_type",
|
3018
|
-
"disease",
|
3019
|
-
"tissue_type",
|
3020
|
-
"tissue",
|
3021
|
-
"assay",
|
3022
|
-
"suspension_type",
|
3023
|
-
"donor_id",
|
3024
|
-
"sex",
|
3025
|
-
"self_reported_ethnicity",
|
3026
|
-
"development_stage",
|
3027
|
-
"pert_name",
|
3028
|
-
"pert_type",
|
3029
|
-
]
|
3030
|
-
sorted_columns = [
|
3031
|
-
col for col in first_columns if col in self._adata.obs.columns
|
3032
|
-
] + [col for col in self._adata.obs.columns if col not in first_columns]
|
3033
|
-
# must assign to self._df to ensure .standardize works correctly
|
3034
|
-
self._obs_df = self._adata.obs[sorted_columns]
|
3035
|
-
self._adata.obs = self._obs_df
|
3036
|
-
return validated
|
3037
|
-
|
3038
|
-
def standardize(self, key: str) -> pd.DataFrame:
|
3039
|
-
"""Standardize the AnnData object."""
|
3040
|
-
super().standardize(key)
|
3041
|
-
self._adata.obs = self._obs_df
|
3042
|
-
|
3043
|
-
def _validate_dose_column(self) -> bool:
|
3044
|
-
"""Validate the dose column."""
|
3045
|
-
if not Feature.filter(name="pert_dose").exists():
|
3046
|
-
Feature(name="pert_dose", dtype="str").save() # type: ignore
|
3047
|
-
|
3048
|
-
dose_errors = DoseHandler.validate_values(self._adata.obs["pert_dose"])
|
3049
|
-
if dose_errors:
|
3050
|
-
self._log_validation_errors("pert_dose", dose_errors)
|
3051
|
-
return False
|
3052
|
-
return True
|
3053
|
-
|
3054
|
-
def _validate_time_column(self) -> bool:
|
3055
|
-
"""Validate the time column."""
|
3056
|
-
if not Feature.filter(name="pert_time").exists():
|
3057
|
-
Feature(name="pert_time", dtype="str").save() # type: ignore
|
3058
|
-
|
3059
|
-
time_errors = TimeHandler.validate_values(self._adata.obs["pert_time"])
|
3060
|
-
if time_errors:
|
3061
|
-
self._log_validation_errors("pert_time", time_errors)
|
3062
|
-
return False
|
3063
|
-
return True
|
3064
|
-
|
3065
|
-
def _log_validation_errors(self, column: str, errors: list):
|
3066
|
-
"""Log validation errors with formatting."""
|
3067
|
-
errors_print = "\n ".join(errors)
|
3068
|
-
logger.warning(
|
3069
|
-
f"invalid {column} values found!\n {errors_print}\n"
|
3070
|
-
f" → run {colors.cyan('standardize_dose_time()')}"
|
3071
|
-
)
|
3072
|
-
|
3073
|
-
def standardize_dose_time(self) -> pd.DataFrame:
|
3074
|
-
"""Standardize dose and time values."""
|
3075
|
-
standardized_df = self._adata.obs.copy()
|
3076
|
-
|
3077
|
-
if "pert_dose" in self._adata.obs.columns:
|
3078
|
-
standardized_df = self._standardize_column(
|
3079
|
-
standardized_df, "pert_dose", is_dose=True
|
3080
|
-
)
|
3081
|
-
|
3082
|
-
if "pert_time" in self._adata.obs.columns:
|
3083
|
-
standardized_df = self._standardize_column(
|
3084
|
-
standardized_df, "pert_time", is_dose=False
|
3085
|
-
)
|
3086
|
-
|
3087
|
-
self._adata.obs = standardized_df
|
3088
|
-
return standardized_df
|
3089
|
-
|
3090
|
-
def _standardize_column(
|
3091
|
-
self, df: pd.DataFrame, column: str, is_dose: bool
|
3092
|
-
) -> pd.DataFrame:
|
3093
|
-
"""Standardize values in a specific column."""
|
3094
|
-
for idx, value in self._adata.obs[column].items():
|
3095
|
-
if pd.isna(value) or (
|
3096
|
-
isinstance(value, str) and (not value.strip() or value.lower() == "nan")
|
3097
|
-
):
|
3098
|
-
df.at[idx, column] = None
|
3099
|
-
continue
|
3100
|
-
|
3101
|
-
try:
|
3102
|
-
num, unit = ValueUnit.parse_value_unit(value, is_dose=is_dose)
|
3103
|
-
df.at[idx, column] = f"{num}{unit}"
|
3104
|
-
except ValueError:
|
3105
|
-
continue
|
3106
|
-
|
3107
|
-
return df
|
3108
|
-
|
3109
|
-
|
3110
|
-
def get_current_filter_kwargs(registry: type[Record], kwargs: dict) -> dict:
|
3111
|
-
"""Make sure the source and organism are saved in the same database as the registry."""
|
3112
|
-
db = registry.filter().db
|
3113
|
-
source = kwargs.get("source")
|
3114
|
-
organism = kwargs.get("organism")
|
3115
|
-
filter_kwargs = kwargs.copy()
|
3116
|
-
|
3117
|
-
if isinstance(organism, Record) and organism._state.db != "default":
|
3118
|
-
if db is None or db == "default":
|
3119
|
-
organism_default = copy.copy(organism)
|
3120
|
-
# save the organism record in the default database
|
3121
|
-
organism_default.save()
|
3122
|
-
filter_kwargs["organism"] = organism_default
|
3123
|
-
if isinstance(source, Record) and source._state.db != "default":
|
3124
|
-
if db is None or db == "default":
|
3125
|
-
source_default = copy.copy(source)
|
3126
|
-
# save the source record in the default database
|
3127
|
-
source_default.save()
|
3128
|
-
filter_kwargs["source"] = source_default
|
3129
|
-
|
3130
|
-
return filter_kwargs
|
3131
|
-
|
3132
|
-
|
3133
|
-
def get_organism_kwargs(
|
3134
|
-
field: FieldAttr, organism: str | None = None, values: Any = None
|
3135
|
-
) -> dict[str, str]:
|
3136
|
-
"""Check if a registry needs an organism and return the organism name."""
|
3137
|
-
registry = field.field.model
|
3138
|
-
if registry.__base__.__name__ == "BioRecord":
|
3139
|
-
import bionty as bt
|
3140
|
-
from bionty._organism import is_organism_required
|
3141
|
-
|
3142
|
-
from ..models._from_values import get_organism_record_from_field
|
3143
|
-
|
3144
|
-
if is_organism_required(registry):
|
3145
|
-
if organism is not None or bt.settings.organism is not None:
|
3146
|
-
return {"organism": organism or bt.settings.organism.name}
|
3147
|
-
else:
|
3148
|
-
organism_record = get_organism_record_from_field(
|
3149
|
-
field, organism=organism, values=values
|
3150
|
-
)
|
3151
|
-
if organism_record is not None:
|
3152
|
-
return {"organism": organism_record.name}
|
3153
|
-
return {}
|
3154
|
-
|
3155
|
-
|
3156
|
-
def annotate_artifact(
|
3157
|
-
artifact: Artifact,
|
3158
|
-
*,
|
3159
|
-
schema: Schema | None = None,
|
3160
|
-
cat_columns: dict[str, CatColumn] | None = None,
|
3161
|
-
index_field: FieldAttr | dict[str, FieldAttr] | None = None,
|
3162
|
-
**kwargs,
|
3163
|
-
) -> Artifact:
|
3164
|
-
from ..models.artifact import add_labels
|
3165
|
-
|
3166
|
-
if cat_columns is None:
|
3167
|
-
cat_columns = {}
|
3168
|
-
|
3169
|
-
# annotate with labels
|
3170
|
-
for key, cat_column in cat_columns.items():
|
3171
|
-
if (
|
3172
|
-
cat_column._field.field.model == Feature
|
3173
|
-
or key == "columns"
|
3174
|
-
or key == "var_index"
|
3175
|
-
):
|
3176
|
-
continue
|
3177
|
-
add_labels(
|
3178
|
-
artifact,
|
3179
|
-
records=cat_column.labels,
|
3180
|
-
feature=cat_column.feature,
|
3181
|
-
feature_ref_is_name=None, # do not need anymore
|
3182
|
-
label_ref_is_name=cat_column.label_ref_is_name,
|
3183
|
-
from_curator=True,
|
3184
|
-
)
|
3185
|
-
|
3186
|
-
# annotate with inferred feature sets
|
3187
|
-
match artifact.otype:
|
3188
|
-
case "DataFrame":
|
3189
|
-
artifact.features._add_set_from_df(field=index_field) # type: ignore
|
3190
|
-
case "AnnData":
|
3191
|
-
if schema is not None and "uns" in schema.slots:
|
3192
|
-
uns_field = parse_cat_dtype(schema.slots["uns"].itype, is_itype=True)[
|
3193
|
-
"field"
|
3194
|
-
]
|
3195
|
-
else:
|
3196
|
-
uns_field = None
|
3197
|
-
artifact.features._add_set_from_anndata( # type: ignore
|
3198
|
-
var_field=index_field, uns_field=uns_field
|
3199
|
-
)
|
3200
|
-
case "MuData":
|
3201
|
-
artifact.features._add_set_from_mudata(var_fields=index_field) # type: ignore
|
3202
|
-
case "SpatialData":
|
3203
|
-
artifact.features._add_set_from_spatialdata( # type: ignore
|
3204
|
-
sample_metadata_key=kwargs.get("sample_metadata_key", "sample"),
|
3205
|
-
var_fields=index_field,
|
3206
|
-
)
|
3207
|
-
case _:
|
3208
|
-
raise NotImplementedError # pragma: no cover
|
3209
|
-
|
3210
|
-
slug = ln_setup.settings.instance.slug
|
3211
|
-
if ln_setup.settings.instance.is_remote: # pdagma: no cover
|
3212
|
-
logger.important(f"go to https://lamin.ai/{slug}/artifact/{artifact.uid}")
|
3213
|
-
return artifact
|
3214
|
-
|
3215
|
-
|
3216
|
-
# TODO: need this function to support mutli-value columns
|
3217
|
-
def _flatten_unique(series: pd.Series[list[Any] | Any]) -> list[Any]:
|
3218
|
-
"""Flatten a Pandas series containing lists or single items into a unique list of elements."""
|
3219
|
-
result = set()
|
3220
|
-
|
3221
|
-
for item in series:
|
3222
|
-
if isinstance(item, list):
|
3223
|
-
result.update(item)
|
3224
|
-
else:
|
3225
|
-
result.add(item)
|
3226
|
-
|
3227
|
-
return list(result)
|
3228
|
-
|
3229
|
-
|
3230
|
-
def _save_organism(name: str):
|
3231
|
-
"""Save an organism record."""
|
3232
|
-
import bionty as bt
|
3233
|
-
|
3234
|
-
organism = bt.Organism.filter(name=name).one_or_none()
|
3235
|
-
if organism is None:
|
3236
|
-
organism = bt.Organism.from_source(name=name)
|
3237
|
-
if organism is None:
|
3238
|
-
raise ValidationError(
|
3239
|
-
f'Organism "{name}" not found from public reference\n'
|
3240
|
-
f' → please save it from a different source: bt.Organism.from_source(name="{name}", source).save()'
|
3241
|
-
f' → or manually save it without source: bt.Organism(name="{name}").save()'
|
3242
|
-
)
|
3243
|
-
organism.save()
|
3244
|
-
return organism
|
3245
|
-
|
3246
|
-
|
3247
|
-
def _ref_is_name(field: FieldAttr | None) -> bool | None:
|
3248
|
-
"""Check if the reference field is a name field."""
|
3249
|
-
from ..models.can_curate import get_name_field
|
3250
|
-
|
3251
|
-
if field is not None:
|
3252
|
-
name_field = get_name_field(field.field.model)
|
3253
|
-
return field.field.name == name_field
|
3254
|
-
return None
|
3255
|
-
|
3256
|
-
|
3257
|
-
# backward compat constructors ------------------
|
3258
|
-
|
3259
|
-
|
3260
|
-
@classmethod # type: ignore
|
3261
|
-
def from_df(
|
3262
|
-
cls,
|
3263
|
-
df: pd.DataFrame,
|
3264
|
-
categoricals: dict[str, FieldAttr] | None = None,
|
3265
|
-
columns: FieldAttr = Feature.name,
|
3266
|
-
organism: str | None = None,
|
3267
|
-
) -> DataFrameCatManager:
|
3268
|
-
if organism is not None:
|
3269
|
-
logger.warning("organism is ignored, define it on the dtype level")
|
3270
|
-
return DataFrameCatManager(
|
3271
|
-
df=df,
|
3272
|
-
categoricals=categoricals,
|
3273
|
-
columns=columns,
|
3274
|
-
)
|
3275
|
-
|
3276
|
-
|
3277
|
-
@classmethod # type: ignore
|
3278
|
-
def from_anndata(
|
3279
|
-
cls,
|
3280
|
-
data: ad.AnnData | UPathStr,
|
3281
|
-
var_index: FieldAttr,
|
3282
|
-
categoricals: dict[str, FieldAttr] | None = None,
|
3283
|
-
obs_columns: FieldAttr = Feature.name,
|
3284
|
-
organism: str | None = None,
|
3285
|
-
sources: dict[str, Record] | None = None,
|
3286
|
-
) -> AnnDataCatManager:
|
3287
|
-
if organism is not None:
|
3288
|
-
logger.warning("organism is ignored, define it on the dtype level")
|
3289
|
-
return AnnDataCatManager(
|
3290
|
-
data=data,
|
3291
|
-
var_index=var_index,
|
3292
|
-
categoricals=categoricals,
|
3293
|
-
obs_columns=obs_columns,
|
3294
|
-
sources=sources,
|
3295
|
-
)
|
3296
|
-
|
3297
|
-
|
3298
|
-
@classmethod # type: ignore
|
3299
|
-
def from_mudata(
|
3300
|
-
cls,
|
3301
|
-
mdata: MuData | UPathStr,
|
3302
|
-
var_index: dict[str, dict[str, FieldAttr]],
|
3303
|
-
categoricals: dict[str, FieldAttr] | None = None,
|
3304
|
-
organism: str | None = None,
|
3305
|
-
) -> MuDataCatManager:
|
3306
|
-
if not is_package_installed("mudata"):
|
3307
|
-
raise ImportError("Please install mudata: pip install mudata")
|
3308
|
-
if organism is not None:
|
3309
|
-
logger.warning("organism is ignored, define it on the dtype level")
|
3310
|
-
return MuDataCatManager(
|
3311
|
-
mdata=mdata,
|
3312
|
-
var_index=var_index,
|
3313
|
-
categoricals=categoricals,
|
3314
|
-
)
|
3315
|
-
|
3316
|
-
|
3317
|
-
@classmethod # type: ignore
|
3318
|
-
def from_tiledbsoma(
|
3319
|
-
cls,
|
3320
|
-
experiment_uri: UPathStr,
|
3321
|
-
var_index: dict[str, tuple[str, FieldAttr]],
|
3322
|
-
categoricals: dict[str, FieldAttr] | None = None,
|
3323
|
-
obs_columns: FieldAttr = Feature.name,
|
3324
|
-
organism: str | None = None,
|
3325
|
-
sources: dict[str, Record] | None = None,
|
3326
|
-
) -> TiledbsomaCatManager:
|
3327
|
-
if organism is not None:
|
3328
|
-
logger.warning("organism is ignored, define it on the dtype level")
|
3329
|
-
return TiledbsomaCatManager(
|
3330
|
-
experiment_uri=experiment_uri,
|
3331
|
-
var_index=var_index,
|
3332
|
-
categoricals=categoricals,
|
3333
|
-
obs_columns=obs_columns,
|
3334
|
-
sources=sources,
|
3335
|
-
)
|
3336
|
-
|
3337
|
-
|
3338
|
-
@classmethod # type: ignore
|
3339
|
-
def from_spatialdata(
|
3340
|
-
cls,
|
3341
|
-
sdata: SpatialData | UPathStr,
|
3342
|
-
var_index: dict[str, FieldAttr],
|
3343
|
-
categoricals: dict[str, dict[str, FieldAttr]] | None = None,
|
3344
|
-
organism: str | None = None,
|
3345
|
-
sources: dict[str, dict[str, Record]] | None = None,
|
3346
|
-
*,
|
3347
|
-
sample_metadata_key: str = "sample",
|
3348
|
-
):
|
3349
|
-
if not is_package_installed("spatialdata"):
|
3350
|
-
raise ImportError("Please install spatialdata: pip install spatialdata")
|
3351
|
-
if organism is not None:
|
3352
|
-
logger.warning("organism is ignored, define it on the dtype level")
|
3353
|
-
return SpatialDataCatManager(
|
3354
|
-
sdata=sdata,
|
3355
|
-
var_index=var_index,
|
3356
|
-
categoricals=categoricals,
|
3357
|
-
sources=sources,
|
3358
|
-
sample_metadata_key=sample_metadata_key,
|
3359
|
-
)
|
3360
|
-
|
3361
|
-
|
3362
|
-
CatManager.from_df = from_df # type: ignore
|
3363
|
-
CatManager.from_anndata = from_anndata # type: ignore
|
3364
|
-
CatManager.from_mudata = from_mudata # type: ignore
|
3365
|
-
CatManager.from_spatialdata = from_spatialdata # type: ignore
|
3366
|
-
CatManager.from_tiledbsoma = from_tiledbsoma # type: ignore
|
24
|
+
from .core import AnnDataCurator, DataFrameCurator, MuDataCurator, SpatialDataCurator
|