(feat): raising errors where backed is not supported (#3048)

* (feat): first step raising errors where `backed` is not supported * (fix): fix `chunked` with `log1p` * (fix): complications in `log1p` with `chunked` * remove duplicated import * (feat): pca check * (feat): `ingest` check added * (feat): add `dendrogram` test * (feat): add `tsne` check * (feat): `rank_genes_groups` * (feat): `score_genes` check * (chore): add plotting backed tests * (chore): check type instead of `isbacked` * (chore): release note * (fix): string formatting error * (fix): `worker_id` default * (fix): try `SparseDataset` * (fix): correct fixture creation * Apply suggestions from code review Co-authored-by: Philipp A. <[email protected]> * (chore): consolidate tests * (chore): remove erroneous plotting tests * (chore): remove other `tempfile` import * (fix): try moving scanpy install * (fix): `np.Inf` -> `np.inf` * (fix): fail if pynn is newest * (fix): name * (fix): `score_genes` name * revert 88d51ab * session-scoped backed_adata * (fix): move umap import back to top * (fix): try block shape * (fix): revert chunks fix --------- Co-authored-by: Philipp A <[email protected]>
scverse · May 21, 2024 · 3ba3f46 · 3ba3f46
1 parent 23c20bc
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diff --git a/docs/release-notes/1.10.2.md b/docs/release-notes/1.10.2.md
@@ -16,6 +16,7 @@
 ```
 
 * Compatibility with `matplotlib` 3.9 {pr}`2999` {smaller}`I Virshup`
+* Add clear errors where `backed` mode-like matrices (i.e., from `sparse_dataset`) are not supported {pr}`3048` {smaller}`I gold`
 
 ```{rubric} Performance
 ```

diff --git a/scanpy/_utils/__init__.py b/scanpy/_utils/__init__.py
@@ -22,6 +22,7 @@
 from typing import TYPE_CHECKING, overload
 from weakref import WeakSet
 
+import h5py
 import numpy as np
 from anndata import __version__ as anndata_version
 from packaging.version import Version
@@ -33,6 +34,13 @@
 from .._settings import settings
 from .compute.is_constant import is_constant  # noqa: F401
 
+if Version(anndata_version) >= Version("0.10.0"):
+    from anndata._core.sparse_dataset import (
+        BaseCompressedSparseDataset as SparseDataset,
+    )
+else:
+    from anndata._core.sparse_dataset import SparseDataset
+
 if TYPE_CHECKING:
     from collections.abc import Mapping
     from pathlib import Path
@@ -1084,3 +1092,14 @@ def _resolve_axis(
     if axis in {1, "var"}:
         return (1, "var")
     raise ValueError(f"`axis` must be either 0, 1, 'obs', or 'var', was {axis!r}")
+
+
+def is_backed_type(X: object) -> bool:
+    return isinstance(X, (SparseDataset, h5py.File, h5py.Dataset))
+
+
+def raise_not_implemented_error_if_backed_type(X: object, method_name: str) -> None:
+    if is_backed_type(X):
+        raise NotImplementedError(
+            f"{method_name} is not implemented for matrices of type {type(X)}"
+        )
diff --git a/scanpy/preprocessing/_pca.py b/scanpy/preprocessing/_pca.py
@@ -16,7 +16,7 @@
 from .. import logging as logg
 from .._compat import DaskArray, pkg_version
 from .._settings import settings
-from .._utils import _doc_params, _empty
+from .._utils import _doc_params, _empty, is_backed_type
 from ..get import _check_mask, _get_obs_rep
 from ._docs import doc_mask_var_hvg
 from ._utils import _get_mean_var
@@ -173,6 +173,10 @@ def pca(
         )
     data_is_AnnData = isinstance(data, AnnData)
     if data_is_AnnData:
+        if layer is None and not chunked and is_backed_type(data.X):
+            raise NotImplementedError(
+                f"PCA is not implemented for matrices of type {type(data.X)} with chunked as False"
+            )
         adata = data.copy() if copy else data
     else:
         if pkg_version("anndata") < Version("0.8.0rc1"):
@@ -195,7 +199,10 @@ def pca(
     logg.info(f"    with n_comps={n_comps}")
 
     X = _get_obs_rep(adata_comp, layer=layer)
-
+    if is_backed_type(X) and layer is not None:
+        raise NotImplementedError(
+            f"PCA is not implemented for matrices of type {type(X)} from layers"
+        )
     # See: https://github.com/scverse/scanpy/pull/2816#issuecomment-1932650529
     if (
         Version(ad.__version__) < Version("0.9")

diff --git a/scanpy/preprocessing/_scale.py b/scanpy/preprocessing/_scale.py
@@ -15,6 +15,7 @@
 from .._utils import (
     _check_array_function_arguments,
     axis_mul_or_truediv,
+    raise_not_implemented_error_if_backed_type,
     renamed_arg,
     view_to_actual,
 )
@@ -298,6 +299,7 @@ def scale_anndata(
         mask_obs = _check_mask(adata, mask_obs, "obs")
     view_to_actual(adata)
     X = _get_obs_rep(adata, layer=layer, obsm=obsm)
+    raise_not_implemented_error_if_backed_type(X, "scale")
     X, adata.var[str_mean_std[0]], adata.var[str_mean_std[1]] = scale(
         X,
         zero_center=zero_center,

diff --git a/scanpy/preprocessing/_simple.py b/scanpy/preprocessing/_simple.py
@@ -23,6 +23,8 @@
 from .._utils import (
     _check_array_function_arguments,
     axis_sum,
+    is_backed_type,
+    raise_not_implemented_error_if_backed_type,
     renamed_arg,
     sanitize_anndata,
     view_to_actual,
@@ -145,6 +147,7 @@ def filter_cells(
             "`min_genes`, `max_counts`, `max_genes` per call."
         )
     if isinstance(data, AnnData):
+        raise_not_implemented_error_if_backed_type(data.X, "filter_cells")
         adata = data.copy() if copy else data
         cell_subset, number = materialize_as_ndarray(
             filter_cells(
@@ -260,6 +263,7 @@ def filter_genes(
         )
 
     if isinstance(data, AnnData):
+        raise_not_implemented_error_if_backed_type(data.X, "filter_genes")
         adata = data.copy() if copy else data
         gene_subset, number = materialize_as_ndarray(
             filter_genes(
@@ -405,10 +409,19 @@ def log1p_anndata(
             raise NotImplementedError(
                 "Currently cannot perform chunked operations on arrays not stored in X."
             )
+        if adata.isbacked and adata.file._filemode != "r+":
+            raise NotImplementedError(
+                "log1p is not implemented for backed AnnData with backed mode not r+"
+            )
         for chunk, start, end in adata.chunked_X(chunk_size):
             adata.X[start:end] = log1p(chunk, base=base, copy=False)
     else:
         X = _get_obs_rep(adata, layer=layer, obsm=obsm)
+        if is_backed_type(X):
+            msg = f"log1p is not implemented for matrices of type {type(X)}"
+            if layer is not None:
+                raise NotImplementedError(f"{msg} from layers")
+            raise NotImplementedError(f"{msg} without `chunked=True`")
         X = log1p(X, copy=False, base=base)
         _set_obs_rep(adata, X, layer=layer, obsm=obsm)
 
@@ -647,6 +660,7 @@ def regress_out(
         keys = [keys]
 
     X = _get_obs_rep(adata, layer=layer)
+    raise_not_implemented_error_if_backed_type(X, "regress_out")
 
     if issparse(X):
         logg.info("    sparse input is densified and may " "lead to high memory use")
@@ -855,6 +869,7 @@ def downsample_counts(
     `adata.X` : :class:`numpy.ndarray` | :class:`scipy.sparse.spmatrix` (dtype `float`)
         Downsampled counts matrix.
     """
+    raise_not_implemented_error_if_backed_type(adata.X, "downsample_counts")
     # This logic is all dispatch
     total_counts_call = total_counts is not None
     counts_per_cell_call = counts_per_cell is not None

diff --git a/scanpy/tests/test_backed.py b/scanpy/tests/test_backed.py
@@ -0,0 +1,98 @@
+from __future__ import annotations
+
+from functools import partial
+
+import pytest
+from anndata import read_h5ad
+
+import scanpy as sc
+
+
+@pytest.mark.parametrize(
+    ("name", "func", "msg"),
+    [
+        pytest.param("PCA", sc.pp.pca, " with chunked as False", id="pca"),
+        pytest.param(
+            "PCA", partial(sc.pp.pca, layer="X_copy"), " from layers", id="pca_layer"
+        ),
+        pytest.param(
+            "regress_out",
+            partial(sc.pp.regress_out, keys=["n_counts", "percent_mito"]),
+            "",
+            id="regress_out",
+        ),
+        pytest.param(
+            "dendrogram", partial(sc.tl.dendrogram, groupby="cat"), "", id="dendrogram"
+        ),
+        pytest.param("tsne", sc.tl.tsne, "", id="tsne"),
+        pytest.param("scale", sc.pp.scale, "", id="scale"),
+        pytest.param(
+            "downsample_counts",
+            partial(sc.pp.downsample_counts, counts_per_cell=1000),
+            "",
+            id="downsample_counts",
+        ),
+        pytest.param(
+            "filter_genes",
+            partial(sc.pp.filter_genes, max_cells=1000),
+            "",
+            id="filter_genes",
+        ),
+        pytest.param(
+            "filter_cells",
+            partial(sc.pp.filter_cells, max_genes=1000),
+            "",
+            id="filter_cells",
+        ),
+        pytest.param(
+            "rank_genes_groups",
+            partial(sc.tl.rank_genes_groups, groupby="cat"),
+            "",
+            id="rank_genes_groups",
+        ),
+        pytest.param(
+            "score_genes",
+            partial(sc.tl.score_genes, gene_list=map(str, range(100))),
+            "",
+            id="score_genes",
+        ),
+    ],
+)
+def test_backed_error(backed_adata, name, func, msg):
+    with pytest.raises(
+        NotImplementedError,
+        match=f"{name} is not implemented for matrices of type {type(backed_adata.X)}{msg}",
+    ):
+        func(backed_adata)
+
+
+def test_log1p_backed_errors(backed_adata):
+    with pytest.raises(
+        NotImplementedError,
+        match="log1p is not implemented for backed AnnData with backed mode not r+",
+    ):
+        sc.pp.log1p(backed_adata, chunked=True)
+    backed_adata.file.close()
+    backed_adata = read_h5ad(backed_adata.filename, backed="r+")
+    with pytest.raises(
+        NotImplementedError,
+        match=f"log1p is not implemented for matrices of type {type(backed_adata.X)} without `chunked=True`",
+    ):
+        sc.pp.log1p(backed_adata)
+    backed_adata.layers["X_copy"] = backed_adata.X
+    layer_type = type(backed_adata.layers["X_copy"])
+    with pytest.raises(
+        NotImplementedError,
+        match=f"log1p is not implemented for matrices of type {layer_type} from layers",
+    ):
+        sc.pp.log1p(backed_adata, layer="X_copy")
+    backed_adata.file.close()
+
+
+def test_scatter_backed(backed_adata):
+    sc.pp.pca(backed_adata, chunked=True)
+    sc.pl.scatter(backed_adata, color="0", basis="pca")
+
+
+def test_dotplot_backed(backed_adata):
+    sc.pl.dotplot(backed_adata, ["0", "1", "2", "3"], groupby="cat")
diff --git a/scanpy/tests/test_ingest.py b/scanpy/tests/test_ingest.py
@@ -1,5 +1,6 @@
 from __future__ import annotations
 
+import anndata
 import numpy as np
 import pytest
 from sklearn.neighbors import KDTree
@@ -153,3 +154,19 @@ def test_ingest_map_embedding_umap():
     umap_transformed_t = reducer.transform(T)
 
     assert np.allclose(ing._obsm["X_umap"], umap_transformed_t)
+
+
+def test_ingest_backed(adatas, tmp_path):
+    adata_ref = adatas[0].copy()
+    adata_new = adatas[1].copy()
+
+    adata_new.write_h5ad(f"{tmp_path}/new.h5ad")
+
+    adata_new = anndata.read_h5ad(f"{tmp_path}/new.h5ad", backed="r")
+
+    ing = sc.tl.Ingest(adata_ref)
+    with pytest.raises(
+        NotImplementedError,
+        match=f"Ingest.fit is not implemented for matrices of type {type(adata_new.X)}",
+    ):
+        ing.fit(adata_new)
diff --git a/scanpy/tools/_dendrogram.py b/scanpy/tools/_dendrogram.py
@@ -11,7 +11,7 @@
 
 from .. import logging as logg
 from .._compat import old_positionals
-from .._utils import _doc_params
+from .._utils import _doc_params, raise_not_implemented_error_if_backed_type
 from ..neighbors._doc import doc_n_pcs, doc_use_rep
 from ._utils import _choose_representation
 
@@ -117,6 +117,8 @@ def dendrogram(
     >>> markers = ['C1QA', 'PSAP', 'CD79A', 'CD79B', 'CST3', 'LYZ']
     >>> sc.pl.dotplot(adata, markers, groupby='bulk_labels', dendrogram=True)
     """
+
+    raise_not_implemented_error_if_backed_type(adata.X, "dendrogram")
     if isinstance(groupby, str):
         # if not a list, turn into a list
         groupby = [groupby]

diff --git a/scanpy/tools/_ingest.py b/scanpy/tools/_ingest.py
@@ -12,7 +12,7 @@
 from .. import logging as logg
 from .._compat import old_positionals, pkg_version
 from .._settings import settings
-from .._utils import NeighborsView
+from .._utils import NeighborsView, raise_not_implemented_error_if_backed_type
 from .._utils._doctests import doctest_skip
 from ..neighbors import FlatTree
 
@@ -392,6 +392,7 @@ def fit(self, adata_new):
         `adata` refers to the :class:`~anndata.AnnData` object
         that is passed during the initialization of an Ingest instance.
         """
+        raise_not_implemented_error_if_backed_type(adata_new.X, "Ingest.fit")
         ref_var_names = self._adata_ref.var_names.str.upper()
         new_var_names = adata_new.var_names.str.upper()
 

diff --git a/scanpy/tools/_rank_genes_groups.py b/scanpy/tools/_rank_genes_groups.py
@@ -12,7 +12,10 @@
 from .. import _utils
 from .. import logging as logg
 from .._compat import old_positionals
-from .._utils import check_nonnegative_integers
+from .._utils import (
+    check_nonnegative_integers,
+    raise_not_implemented_error_if_backed_type,
+)
 from ..get import _check_mask
 from ..preprocessing._utils import _get_mean_var
 
@@ -134,6 +137,7 @@ def __init__(
             if use_raw and adata.raw is not None:
                 adata_comp = adata.raw
             X = adata_comp.X
+        raise_not_implemented_error_if_backed_type(X, "rank_genes_groups")
 
         # for correct getnnz calculation
         if issparse(X):
@@ -594,7 +598,6 @@ def rank_genes_groups(
     >>> # to visualize the results
     >>> sc.pl.rank_genes_groups(adata)
     """
-
     if mask_var is not None:
         mask_var = _check_mask(adata, mask_var, "var")
 

diff --git a/scanpy/tools/_score_genes.py b/scanpy/tools/_score_genes.py
@@ -8,7 +8,7 @@
 import pandas as pd
 from scipy.sparse import issparse
 
-from scanpy._utils import _check_use_raw
+from scanpy._utils import _check_use_raw, is_backed_type
 
 from .. import logging as logg
 from .._compat import old_positionals
@@ -110,6 +110,10 @@ def score_genes(
     start = logg.info(f"computing score {score_name!r}")
     adata = adata.copy() if copy else adata
     use_raw = _check_use_raw(adata, use_raw)
+    if is_backed_type(adata.X) and not use_raw:
+        raise NotImplementedError(
+            f"score_genes is not implemented for matrices of type {type(adata.X)}"
+        )
 
     if random_state is not None:
         np.random.seed(random_state)

diff --git a/scanpy/tools/_tsne.py b/scanpy/tools/_tsne.py
@@ -8,7 +8,7 @@
 from .. import logging as logg
 from .._compat import old_positionals
 from .._settings import settings
-from .._utils import _doc_params
+from .._utils import _doc_params, raise_not_implemented_error_if_backed_type
 from ..neighbors._doc import doc_n_pcs, doc_use_rep
 from ._utils import _choose_representation
 
@@ -106,6 +106,7 @@ def tsne(
     start = logg.info("computing tSNE")
     adata = adata.copy() if copy else adata
     X = _choose_representation(adata, use_rep=use_rep, n_pcs=n_pcs)
+    raise_not_implemented_error_if_backed_type(X, "tsne")
     # params for sklearn
     n_jobs = settings.n_jobs if n_jobs is None else n_jobs
     params_sklearn = dict(

diff --git a/src/testing/scanpy/_pytest/fixtures/__init__.py b/src/testing/scanpy/_pytest/fixtures/__init__.py
@@ -13,6 +13,7 @@
 
 from .data import (
     _pbmc3ks_parametrized_session,
+    backed_adata,
     pbmc3k_parametrized,
     pbmc3k_parametrized_small,
 )
@@ -27,6 +28,7 @@
     "_pbmc3ks_parametrized_session",
     "pbmc3k_parametrized",
     "pbmc3k_parametrized_small",
+    "backed_adata",
 ]