From eba6a9a5dc1a2c5b3afd955171e64ab550fdd6cc Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Fri, 12 Jan 2024 17:43:38 -0500 Subject: [PATCH 01/71] (feat): igraph as option for leiden --- scanpy/tests/test_clustering.py | 8 ++++++-- scanpy/tools/_leiden.py | 18 ++++++++++++++---- 2 files changed, 20 insertions(+), 6 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index f42a4a4b2a..9b129472bc 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -13,8 +13,12 @@ def adata_neighbors(): @needs.leidenalg -def test_leiden_basic(adata_neighbors): - sc.tl.leiden(adata_neighbors) +@pytest.mark.parametrize("use_igraph,directed", [pytest.param(True, False), pytest.param(False, True), pytest.param(False, False)]) +@pytest.mark.parametrize("use_weights", [True, False]) +@pytest.mark.parametrize("resolution", [1, 2]) +@pytest.mark.parametrize("n_iterations", [-1, 3]) +def test_leiden_basic(adata_neighbors, use_igraph, directed, use_weights, resolution, n_iterations): + sc.tl.leiden(adata_neighbors, use_igraph=use_igraph, use_weights=use_weights, resolution=resolution, n_iterations=n_iterations, directed=directed) @pytest.mark.parametrize( diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index aa8a9f4981..ef3c935ed0 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -2,6 +2,7 @@ from typing import TYPE_CHECKING +import random import numpy as np import pandas as pd from natsort import natsorted @@ -41,6 +42,7 @@ def leiden( neighbors_key: str | None = None, obsp: str | None = None, copy: bool = False, + use_igraph: bool = False, **partition_kwargs, ) -> AnnData | None: """\ @@ -134,7 +136,9 @@ def leiden( adjacency=adjacency, ) # convert it to igraph - g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) + if use_igraph and directed: + raise ValueError("Cannot use igraph and a directed graph") + g = _utils.get_igraph_from_adjacency(adjacency, directed=directed if not use_igraph else False) # flip to the default partition type if not overriden by the user if partition_type is None: partition_type = leidenalg.RBConfigurationVertexPartition @@ -145,11 +149,17 @@ def leiden( if use_weights: partition_kwargs["weights"] = np.array(g.es["weight"]).astype(np.float64) partition_kwargs["n_iterations"] = n_iterations - partition_kwargs["seed"] = random_state + if not use_igraph: + partition_kwargs["seed"] = random_state + else: + random.seed(random_state) if resolution is not None: - partition_kwargs["resolution_parameter"] = resolution + partition_kwargs[f"resolution{'_parameter' if not use_igraph else ''}"] = resolution # clustering proper - part = leidenalg.find_partition(g, partition_type, **partition_kwargs) + if use_igraph: + part = g.community_leiden(objective_function="modularity", **partition_kwargs) + else: + part = leidenalg.find_partition(g, partition_type, **partition_kwargs) # store output into adata.obs groups = np.array(part.membership) if restrict_to is not None: From 519cad397ebbf660a93691e0702fea5afe161ed8 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 15 Jan 2024 10:55:39 -0500 Subject: [PATCH 02/71] (feat): add test for similarity --- scanpy/tests/test_clustering.py | 8 +++++++- scanpy/tools/_leiden.py | 28 ++++++++++++++++------------ 2 files changed, 23 insertions(+), 13 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 9b129472bc..c4f9174668 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -5,7 +5,7 @@ import scanpy as sc from scanpy.testing._helpers.data import pbmc68k_reduced from scanpy.testing._pytest.marks import needs - +from sklearn.metrics.cluster import normalized_mutual_info_score @pytest.fixture def adata_neighbors(): @@ -21,6 +21,12 @@ def test_leiden_basic(adata_neighbors, use_igraph, directed, use_weights, resolu sc.tl.leiden(adata_neighbors, use_igraph=use_igraph, use_weights=use_weights, resolution=resolution, n_iterations=n_iterations, directed=directed) +@needs.leidenalg +def test_leiden_equal_defaults(adata_neighbors): + leiden_alg_clustered = sc.tl.leiden(adata_neighbors, use_igraph=False, copy=True) + igraph_clustered = sc.tl.leiden(adata_neighbors, use_igraph=True, copy=True) + assert normalized_mutual_info_score(leiden_alg_clustered.obs['leiden'],igraph_clustered.obs['leiden']) > .9 + @pytest.mark.parametrize( "clustering,key", [ diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index ef3c935ed0..1572927162 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -43,7 +43,7 @@ def leiden( obsp: str | None = None, copy: bool = False, use_igraph: bool = False, - **partition_kwargs, + **clustering_args, ) -> AnnData | None: """\ Cluster cells into subgroups [Traag18]_. @@ -98,9 +98,9 @@ def leiden( `obsp` and `neighbors_key` at the same time. copy Whether to copy `adata` or modify it inplace. - **partition_kwargs - Any further arguments to pass to `~leidenalg.find_partition` - (which in turn passes arguments to the `partition_type`). + **clustering_args + Any further arguments to pass to `~leidenalg.find_partition` (which in turn passes arguments to the `partition_type`) + or `community_detection` from `igraph`. Returns ------- @@ -120,7 +120,7 @@ def leiden( raise ImportError( "Please install the leiden algorithm: `conda install -c conda-forge leidenalg` or `pip3 install leidenalg`." ) - partition_kwargs = dict(partition_kwargs) + clustering_args = dict(clustering_args) start = logg.info("running Leiden clustering") adata = adata.copy() if copy else adata @@ -137,7 +137,8 @@ def leiden( ) # convert it to igraph if use_igraph and directed: - raise ValueError("Cannot use igraph and a directed graph") + logg.warning("Cannot use igraph and a directed graph. Seting directed to False") + directed = False g = _utils.get_igraph_from_adjacency(adjacency, directed=directed if not use_igraph else False) # flip to the default partition type if not overriden by the user if partition_type is None: @@ -147,19 +148,22 @@ def leiden( # as this allows for the accounting of a None resolution # (in the case of a partition variant that doesn't take it on input) if use_weights: - partition_kwargs["weights"] = np.array(g.es["weight"]).astype(np.float64) - partition_kwargs["n_iterations"] = n_iterations + if use_igraph: + clustering_args["weights"] = 'weight' + else: + clustering_args["weights"] = np.array(g.es["weight"]).astype(np.float64) + clustering_args["n_iterations"] = n_iterations if not use_igraph: - partition_kwargs["seed"] = random_state + clustering_args["seed"] = random_state else: random.seed(random_state) if resolution is not None: - partition_kwargs[f"resolution{'_parameter' if not use_igraph else ''}"] = resolution + clustering_args[f"resolution{'_parameter' if not use_igraph else ''}"] = resolution # clustering proper if use_igraph: - part = g.community_leiden(objective_function="modularity", **partition_kwargs) + part = g.community_leiden(objective_function="modularity", **clustering_args) else: - part = leidenalg.find_partition(g, partition_type, **partition_kwargs) + part = leidenalg.find_partition(g, partition_type, **clustering_args) # store output into adata.obs groups = np.array(part.membership) if restrict_to is not None: From 25b6705828e2100fde26d70a493c70aa8b39ed99 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 15 Jan 2024 11:02:40 -0500 Subject: [PATCH 03/71] (feat): migrate defaults to `igraph` --- scanpy/tools/_leiden.py | 15 ++++++--------- 1 file changed, 6 insertions(+), 9 deletions(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 1572927162..72fd1d5510 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -35,14 +35,14 @@ def leiden( random_state: _utils.AnyRandom = 0, key_added: str = "leiden", adjacency: sparse.spmatrix | None = None, - directed: bool = True, + directed: bool = False, use_weights: bool = True, - n_iterations: int = -1, + n_iterations: int = 2, partition_type: type[MutableVertexPartition] | None = None, neighbors_key: str | None = None, obsp: str | None = None, copy: bool = False, - use_igraph: bool = False, + use_igraph: bool = True, **clustering_args, ) -> AnnData | None: """\ @@ -137,9 +137,8 @@ def leiden( ) # convert it to igraph if use_igraph and directed: - logg.warning("Cannot use igraph and a directed graph. Seting directed to False") - directed = False - g = _utils.get_igraph_from_adjacency(adjacency, directed=directed if not use_igraph else False) + raise ValueError("Cannot use igraph's leiden implementaiton with a directed graph.") + g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) # flip to the default partition type if not overriden by the user if partition_type is None: partition_type = leidenalg.RBConfigurationVertexPartition @@ -149,9 +148,7 @@ def leiden( # (in the case of a partition variant that doesn't take it on input) if use_weights: if use_igraph: - clustering_args["weights"] = 'weight' - else: - clustering_args["weights"] = np.array(g.es["weight"]).astype(np.float64) + clustering_args["weights"] = "weight" if use_igraph else np.array(g.es["weight"]).astype(np.float64) clustering_args["n_iterations"] = n_iterations if not use_igraph: clustering_args["seed"] = random_state From 00f5904abaaac88d500bd712e2a4efac3f7772f0 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 15 Jan 2024 11:08:11 -0500 Subject: [PATCH 04/71] (chore): add test for `directed` + `igraph` --- scanpy/tests/test_clustering.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index c4f9174668..133b0a99fd 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -20,6 +20,9 @@ def adata_neighbors(): def test_leiden_basic(adata_neighbors, use_igraph, directed, use_weights, resolution, n_iterations): sc.tl.leiden(adata_neighbors, use_igraph=use_igraph, use_weights=use_weights, resolution=resolution, n_iterations=n_iterations, directed=directed) +def test_leiden_igraph_directed(adata_neighbors): + with pytest.raises(ValueError): + sc.tl.leiden(adata_neighbors, directed=True) @needs.leidenalg def test_leiden_equal_defaults(adata_neighbors): From 7f46900c2f92ad3aaef86fad99a8546f4e95d160 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 16 Jan 2024 10:09:29 -0500 Subject: [PATCH 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allows for the accounting of a None resolution # (in the case of a partition variant that doesn't take it on input) if use_weights: - if use_igraph: - clustering_args["weights"] = "weight" if use_igraph else np.array(g.es["weight"]).astype(np.float64) + clustering_args["weights"] = "weight" if use_igraph else np.array(g.es["weight"]).astype(np.float64) clustering_args["n_iterations"] = n_iterations if not use_igraph: clustering_args["seed"] = random_state From 5439d9d844179a4d3de6b4f36c2df73290150b27 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 16 Jan 2024 17:02:01 -0500 Subject: [PATCH 07/71] (fix): change `rank_genes_groups` tolerance and update test images --- .../rank_genes_groups_1/expected.png | Bin 48157 -> 42345 bytes .../rank_genes_groups_2/expected.png | Bin 51994 -> 45895 bytes .../rank_genes_groups_3/expected.png | Bin 6991 -> 6218 bytes scanpy/tests/notebooks/test_pbmc3k.py | 7 ++++--- 4 files changed, 4 insertions(+), 3 deletions(-) diff --git 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b/scanpy/tests/notebooks/test_pbmc3k.py index ae052db975..3c1bbb7cae 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -130,18 +130,18 @@ def test_pbmc3k(image_comparer): # sc.pl.rank_genes_groups_violin(adata, groups='0', n_genes=8) # save_and_compare_images('rank_genes_groups_4') - if adata[adata.obs["leiden"] == "4", "CST3"].X.mean() < 1: + if adata[adata.obs["leiden"] == "3", "CST3"].X.mean() < 1: ( # switch clusters + adata.obs["leiden"][adata.obs["leiden"] == "3"], adata.obs["leiden"][adata.obs["leiden"] == "4"], - adata.obs["leiden"][adata.obs["leiden"] == "5"], - ) = ("5", "4") + ) = ("4", "3") new_cluster_names = [ "CD4 T cells", - "CD14+ Monocytes", - "B cells", "CD8 T cells", + "B cells", "NK cells", "FCGR3A+ Monocytes", + "CD14+ Monocytes", "Dendritic cells", "Megakaryocytes", ] From a14b13ee4b6dd7f6b30cae95be88d9044cb2d5ea Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 16 Jan 2024 17:32:38 -0500 Subject: [PATCH 09/71] (chore): check parameters matching --- scanpy/tests/test_clustering.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 133b0a99fd..4427618fd3 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -19,6 +19,8 @@ def adata_neighbors(): @pytest.mark.parametrize("n_iterations", [-1, 3]) def test_leiden_basic(adata_neighbors, use_igraph, directed, use_weights, resolution, n_iterations): sc.tl.leiden(adata_neighbors, use_igraph=use_igraph, use_weights=use_weights, resolution=resolution, n_iterations=n_iterations, directed=directed) + assert adata_neighbors.uns['leiden']['params']['resolution'] == resolution + assert adata_neighbors.uns['leiden']['params']['n_iterations'] == n_iterations def test_leiden_igraph_directed(adata_neighbors): with pytest.raises(ValueError): From 8f3b169b7b6f786f7b49c21a19e118942da6ab80 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 16 Jan 2024 17:48:25 -0500 Subject: [PATCH 10/71] (fix): handle import properly --- scanpy/tools/_leiden.py | 13 +++++++------ 1 file changed, 7 insertions(+), 6 deletions(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index afccb59fd1..1a77a5a049 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -114,12 +114,13 @@ def leiden( A dict with the values for the parameters `resolution`, `random_state`, and `n_iterations`. """ - try: - import leidenalg - except ImportError: - raise ImportError( - "Please install the leiden algorithm: `conda install -c conda-forge leidenalg` or `pip3 install leidenalg`." - ) + if not use_igraph: + try: + import leidenalg + except ImportError: + raise ImportError( + "Please install the leiden algorithm: `conda install -c conda-forge leidenalg` or `pip3 install leidenalg`." + ) clustering_args = dict(clustering_args) start = logg.info("running Leiden clustering") From b89eaa0747e7dee9f2e67b4a06d40550099b6717 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 16 Jan 2024 17:48:50 -0500 Subject: [PATCH 11/71] (fix): handle `partition_type` with `use_igraph` --- scanpy/tools/_leiden.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 1a77a5a049..40e380f192 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -141,8 +141,10 @@ def leiden( raise ValueError("Cannot use igraph's leiden implementaiton with a directed graph.") g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) # flip to the default partition type if not overriden by the user - if partition_type is None: + if partition_type is None and not use_igraph: partition_type = leidenalg.RBConfigurationVertexPartition + elif use_igraph and partition_type is not None: + raise ValueError("Do not pass in partition_type argument when using igraph.") # Prepare find_partition arguments as a dictionary, # appending to whatever the user provided. It needs to be this way # as this allows for the accounting of a None resolution From f67225d342ad98533805e0459d64163fbf10bcd2 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 16 Jan 2024 17:52:41 -0500 Subject: [PATCH 12/71] (chore): remove unnecessary test args --- scanpy/tests/test_clustering.py | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 4427618fd3..5847e2bc71 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -13,12 +13,11 @@ def adata_neighbors(): @needs.leidenalg -@pytest.mark.parametrize("use_igraph,directed", [pytest.param(True, False), pytest.param(False, True), pytest.param(False, False)]) -@pytest.mark.parametrize("use_weights", [True, False]) +@pytest.mark.parametrize("use_igraph", [True, False, False]) @pytest.mark.parametrize("resolution", [1, 2]) @pytest.mark.parametrize("n_iterations", [-1, 3]) -def test_leiden_basic(adata_neighbors, use_igraph, directed, use_weights, resolution, n_iterations): - sc.tl.leiden(adata_neighbors, use_igraph=use_igraph, use_weights=use_weights, resolution=resolution, n_iterations=n_iterations, directed=directed) +def test_leiden_basic(adata_neighbors, use_igraph, resolution, n_iterations): + sc.tl.leiden(adata_neighbors, use_igraph=use_igraph, resolution=resolution, n_iterations=n_iterations) assert adata_neighbors.uns['leiden']['params']['resolution'] == resolution assert adata_neighbors.uns['leiden']['params']['n_iterations'] == n_iterations From 202787c266dd2ee60d9ffa02cd5a8ab642df0209 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 16 Jan 2024 17:59:17 -0500 Subject: [PATCH 13/71] (chore): add test for old defaults --- scanpy/tests/test_clustering.py | 27 +++++++++++++++++++++++++-- 1 file changed, 25 insertions(+), 2 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 5847e2bc71..ce7f880642 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -25,11 +25,34 @@ def test_leiden_igraph_directed(adata_neighbors): with pytest.raises(ValueError): sc.tl.leiden(adata_neighbors, directed=True) + @needs.leidenalg def test_leiden_equal_defaults(adata_neighbors): + """Ensure the two implementations are the same for the same args.""" leiden_alg_clustered = sc.tl.leiden(adata_neighbors, use_igraph=False, copy=True) - igraph_clustered = sc.tl.leiden(adata_neighbors, use_igraph=True, copy=True) - assert normalized_mutual_info_score(leiden_alg_clustered.obs['leiden'],igraph_clustered.obs['leiden']) > .9 + igraph_clustered = sc.tl.leiden(adata_neighbors, copy=True) + assert ( + normalized_mutual_info_score( + leiden_alg_clustered.obs["leiden"], igraph_clustered.obs["leiden"] + ) + > 0.9 + ) + + +@needs.leidenalg +def test_leiden_equal_old_defaults(adata_neighbors): + """Ensure that the old leidenalg defaults are close enough to the current default outputs.""" + leiden_alg_clustered = sc.tl.leiden( + adata_neighbors, use_igraph=False, directed=True, n_iterations=-1, copy=True + ) + igraph_clustered = sc.tl.leiden(adata_neighbors, copy=True) + assert ( + normalized_mutual_info_score( + leiden_alg_clustered.obs["leiden"], igraph_clustered.obs["leiden"] + ) + > 0.9 + ) + @pytest.mark.parametrize( "clustering,key", From d73809252955501947ce53d7adb55d4e0789932b Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 16 Jan 2024 17:59:29 -0500 Subject: [PATCH 14/71] (chore): pre-commit? --- scanpy/tests/test_clustering.py | 15 +++++++++++---- 1 file changed, 11 insertions(+), 4 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index ce7f880642..a73d6bf3cc 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -1,11 +1,12 @@ from __future__ import annotations import pytest +from sklearn.metrics.cluster import normalized_mutual_info_score import scanpy as sc from scanpy.testing._helpers.data import pbmc68k_reduced from scanpy.testing._pytest.marks import needs -from sklearn.metrics.cluster import normalized_mutual_info_score + @pytest.fixture def adata_neighbors(): @@ -17,9 +18,15 @@ def adata_neighbors(): @pytest.mark.parametrize("resolution", [1, 2]) @pytest.mark.parametrize("n_iterations", [-1, 3]) def test_leiden_basic(adata_neighbors, use_igraph, resolution, n_iterations): - sc.tl.leiden(adata_neighbors, use_igraph=use_igraph, resolution=resolution, n_iterations=n_iterations) - assert adata_neighbors.uns['leiden']['params']['resolution'] == resolution - assert adata_neighbors.uns['leiden']['params']['n_iterations'] == n_iterations + sc.tl.leiden( + adata_neighbors, + use_igraph=use_igraph, + resolution=resolution, + n_iterations=n_iterations, + ) + assert adata_neighbors.uns["leiden"]["params"]["resolution"] == resolution + assert adata_neighbors.uns["leiden"]["params"]["n_iterations"] == n_iterations + def test_leiden_igraph_directed(adata_neighbors): with pytest.raises(ValueError): From 2d8ab25c3a8fed3ec2886f8ebf68c9ddce293e9a Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 16 Jan 2024 18:01:55 -0500 Subject: [PATCH 15/71] (chore): pre-commit hooks run --- scanpy/tests/notebooks/test_pbmc3k.py | 4 +++- scanpy/tools/_leiden.py | 14 ++++++++++---- 2 files changed, 13 insertions(+), 5 deletions(-) diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index 3c1bbb7cae..7ec91f32e6 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -29,7 +29,9 @@ @needs.leidenalg def test_pbmc3k(image_comparer): save_and_compare_images = partial(image_comparer, ROOT, tol=20) - save_and_compare_images_rank_genes = partial(image_comparer, ROOT, tol=10) # 20 is too high for such sparse plots + save_and_compare_images_rank_genes = partial( + image_comparer, ROOT, tol=10 + ) # 20 is too high for such sparse plots adata = sc.read( "./data/pbmc3k_raw.h5ad", backup_url="https://falexwolf.de/data/pbmc3k_raw.h5ad" diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 40e380f192..cadfb75a75 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -1,8 +1,8 @@ from __future__ import annotations +import random from typing import TYPE_CHECKING -import random import numpy as np import pandas as pd from natsort import natsorted @@ -138,7 +138,9 @@ def leiden( ) # convert it to igraph if use_igraph and directed: - raise ValueError("Cannot use igraph's leiden implementaiton with a directed graph.") + raise ValueError( + "Cannot use igraph's leiden implementaiton with a directed graph." + ) g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) # flip to the default partition type if not overriden by the user if partition_type is None and not use_igraph: @@ -150,14 +152,18 @@ def leiden( # as this allows for the accounting of a None resolution # (in the case of a partition variant that doesn't take it on input) if use_weights: - clustering_args["weights"] = "weight" if use_igraph else np.array(g.es["weight"]).astype(np.float64) + clustering_args["weights"] = ( + "weight" if use_igraph else np.array(g.es["weight"]).astype(np.float64) + ) clustering_args["n_iterations"] = n_iterations if not use_igraph: clustering_args["seed"] = random_state else: random.seed(random_state) if resolution is not None: - clustering_args[f"resolution{'_parameter' if not use_igraph else ''}"] = resolution + clustering_args[ + f"resolution{'_parameter' if not use_igraph else ''}" + ] = resolution # clustering proper if use_igraph: part = g.community_leiden(objective_function="modularity", **clustering_args) From ece40bffd5837fb71d013c476e430a475805bedf Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 16 Jan 2024 18:09:08 -0500 Subject: [PATCH 16/71] (chore): make violin plot `expected` correct --- .../_images_pbmc3k/violin_2/expected.png | Bin 32689 -> 29911 bytes 1 file 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11:42:47 -0500 Subject: [PATCH 17/71] (fix): change `tol` again for violin plots --- scanpy/tests/notebooks/test_pbmc3k.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index 7ec91f32e6..c7ec7511bd 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -30,7 +30,7 @@ def test_pbmc3k(image_comparer): save_and_compare_images = partial(image_comparer, ROOT, tol=20) save_and_compare_images_rank_genes = partial( - image_comparer, ROOT, tol=10 + image_comparer, ROOT, tol=15 ) # 20 is too high for such sparse plots adata = sc.read( From 4fcbcc672b0a374629315173422e814aa00aeb54 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 22 Jan 2024 11:24:28 +0100 Subject: [PATCH 18/71] (chore): revert tolerance change - separate issue incoming --- scanpy/tests/notebooks/test_pbmc3k.py | 10 +++------- 1 file changed, 3 insertions(+), 7 deletions(-) diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index c7ec7511bd..35ea38ce72 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -29,10 +29,6 @@ @needs.leidenalg def test_pbmc3k(image_comparer): save_and_compare_images = partial(image_comparer, ROOT, tol=20) - save_and_compare_images_rank_genes = partial( - image_comparer, ROOT, tol=15 - ) # 20 is too high for such sparse plots - adata = sc.read( "./data/pbmc3k_raw.h5ad", backup_url="https://falexwolf.de/data/pbmc3k_raw.h5ad" ) @@ -118,15 +114,15 @@ def test_pbmc3k(image_comparer): sc.tl.rank_genes_groups(adata, "leiden") sc.pl.rank_genes_groups(adata, n_genes=20, sharey=False, show=False) - save_and_compare_images_rank_genes("rank_genes_groups_1") + save_and_compare_images("rank_genes_groups_1") sc.tl.rank_genes_groups(adata, "leiden", method="logreg") sc.pl.rank_genes_groups(adata, n_genes=20, sharey=False, show=False) - save_and_compare_images_rank_genes("rank_genes_groups_2") + save_and_compare_images("rank_genes_groups_2") sc.tl.rank_genes_groups(adata, "leiden", groups=["0"], reference="1") sc.pl.rank_genes_groups(adata, groups="0", n_genes=20, show=False) - save_and_compare_images_rank_genes("rank_genes_groups_3") + save_and_compare_images("rank_genes_groups_3") # gives a strange error, probably due to jitter or something # sc.pl.rank_genes_groups_violin(adata, groups='0', n_genes=8) From fd748f423ac9b19c65181c0ee60e4e2718156500 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 22 Jan 2024 11:39:21 +0100 Subject: [PATCH 19/71] (chore): release note --- docs/release-notes/1.10.0.md | 1 + 1 file changed, 1 insertion(+) diff --git a/docs/release-notes/1.10.0.md b/docs/release-notes/1.10.0.md index dbf9e57e35..e1118bdd5c 100644 --- a/docs/release-notes/1.10.0.md +++ b/docs/release-notes/1.10.0.md @@ -14,6 +14,7 @@ * {func}`scanpy.pp.pca`, {func}`scanpy.pp.scale`, {func}`scanpy.pl.embedding`, and {func}`scanpy.experimental.pp.normalize_pearson_residuals_pca` now support a `mask` parameter {pr}`2272` {smaller}`C Bright, T Marcella, & P Angerer` * {func}`scanpy.tl.rank_genes_groups` no longer warns that it's default was changed from t-test_overestim_var to t-test {pr}`2798` {smaller}`L Heumos` +* {func}`scanpy.tl.leiden` now relies by default on `igraph` fully. `leidenalg`'s implementation is still available via `use_igraph` when set to `False`, although other defaults have now changed. {pr}`2815` {smaller}`I Gold` ```{rubric} Docs ``` From be32bc23706a324b8e4f655591342b354e003239 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 22 Jan 2024 14:04:46 +0100 Subject: [PATCH 20/71] (chore): try new plots with random seed set --- .../filter_genes_dispersion/expected.png | Bin 23862 -> 24087 bytes .../highest_expr_genes/expected.png | Bin 11007 -> 11545 bytes .../notebooks/_images_pbmc3k/pca/expected.png | Bin 23547 -> 23439 bytes .../pca_variance_ratio/expected.png | Bin 6192 -> 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a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index 35ea38ce72..928cb013b9 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -28,6 +28,9 @@ @needs.leidenalg def test_pbmc3k(image_comparer): + np.random.seed( + 0 + ) # ensure violin plots and other non-determinstic plots have deterministic behavior save_and_compare_images = partial(image_comparer, ROOT, tol=20) adata = sc.read( "./data/pbmc3k_raw.h5ad", backup_url="https://falexwolf.de/data/pbmc3k_raw.h5ad" @@ -147,7 +150,6 @@ def test_pbmc3k(image_comparer): # sc.pl.umap(adata, color='leiden', legend_loc='on data', title='', frameon=False, show=False) # save_and_compare_images('umap_3') - sc.pl.violin( adata, ["CST3", "NKG7", "PPBP"], groupby="leiden", rotation=90, show=False ) From 07ffc84867f2347cd55c6ee84d25ca4bb2fa376d Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 22 Jan 2024 15:32:39 +0100 Subject: [PATCH 21/71] (test): try publishing artifacts --- .azure-pipelines.yml | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/.azure-pipelines.yml b/.azure-pipelines.yml index 70c85ce46f..fbc9bb6f85 100644 --- a/.azure-pipelines.yml +++ b/.azure-pipelines.yml @@ -79,6 +79,11 @@ jobs: displayName: 'PyTest (coverage)' condition: eq(variables['RUN_COVERAGE'], 'yes') + - task: PublishBuildArtifacts@1 + inputs: + pathToPublish: '$(Pipeline.Workspace)/scanpy/tests/notebooks/_images_pbmc3k' + artifactName: drop + - task: PublishCodeCoverageResults@1 inputs: codeCoverageTool: Cobertura From fbd21738eea15b5d5aa6c00e12176b46a4f7d1a8 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 22 Jan 2024 20:40:23 +0100 Subject: [PATCH 22/71] (fix): publish artifact --- .azure-pipelines.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.azure-pipelines.yml b/.azure-pipelines.yml index fbc9bb6f85..ebae9a1ba9 100644 --- a/.azure-pipelines.yml +++ b/.azure-pipelines.yml @@ -81,7 +81,7 @@ jobs: - task: PublishBuildArtifacts@1 inputs: - pathToPublish: '$(Pipeline.Workspace)/scanpy/tests/notebooks/_images_pbmc3k' + pathToPublish: '$(Pipeline.Workspace)/s/scanpy/tests/notebooks/_images_pbmc3k' artifactName: drop - task: PublishCodeCoverageResults@1 From 345fcf4104b3dc85cc400620573f38b7ae179a05 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 23 Jan 2024 10:24:22 +0100 Subject: [PATCH 23/71] (fix): publish other images --- .azure-pipelines.yml | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/.azure-pipelines.yml b/.azure-pipelines.yml index ebae9a1ba9..42b9047a64 100644 --- a/.azure-pipelines.yml +++ b/.azure-pipelines.yml @@ -84,6 +84,11 @@ jobs: pathToPublish: '$(Pipeline.Workspace)/s/scanpy/tests/notebooks/_images_pbmc3k' artifactName: drop + - task: PublishBuildArtifacts@1 + inputs: + pathToPublish: '$(Pipeline.Workspace)/s/scanpy/tests/_images' + artifactName: drop + - task: PublishCodeCoverageResults@1 inputs: codeCoverageTool: Cobertura From 1f35a00f2b535259737962c39a1d6d5b18fc4754 Mon Sep 17 00:00:00 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variations # sc.pl.umap(adata, color=['CST3', 'NKG7', 'PPBP'], use_raw=False, show=False) # save_and_compare_images('umap_1') @@ -108,8 +108,8 @@ def test_pbmc3k(image_comparer): # Clustering the graph sc.tl.leiden(adata, resolution=0.9) - # sc.pl.umap(adata, color=['leiden', 'CST3', 'NKG7'], show=False) - # save_and_compare_images('umap_2') + sc.pl.umap(adata, color=["leiden", "CST3", "NKG7"], show=False) + save_and_compare_images("umap_2") sc.pl.scatter(adata, "CST3", "NKG7", color="leiden", show=False) save_and_compare_images("scatter_3") From ac75b6ba37965109c0e6e24cab0da448074ebc50 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 23 Jan 2024 11:44:58 +0100 Subject: [PATCH 25/71] (fix): fix random seeding for `igraph` --- .azure-pipelines.yml | 10 ---------- scanpy/tools/_leiden.py | 2 ++ 2 files changed, 2 insertions(+), 10 deletions(-) diff --git a/.azure-pipelines.yml b/.azure-pipelines.yml index 42b9047a64..70c85ce46f 100644 --- a/.azure-pipelines.yml +++ b/.azure-pipelines.yml @@ -79,16 +79,6 @@ jobs: displayName: 'PyTest (coverage)' condition: eq(variables['RUN_COVERAGE'], 'yes') - - task: PublishBuildArtifacts@1 - inputs: - pathToPublish: '$(Pipeline.Workspace)/s/scanpy/tests/notebooks/_images_pbmc3k' - artifactName: drop - - - task: PublishBuildArtifacts@1 - inputs: - pathToPublish: '$(Pipeline.Workspace)/s/scanpy/tests/_images' - artifactName: drop - - task: PublishCodeCoverageResults@1 inputs: codeCoverageTool: Cobertura diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index cadfb75a75..7cfb866874 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -5,6 +5,7 @@ import numpy as np import pandas as pd +from igraph import set_random_number_generator from natsort import natsorted from .. import _utils @@ -159,6 +160,7 @@ def leiden( if not use_igraph: clustering_args["seed"] = random_state else: + set_random_number_generator(random) random.seed(random_state) if resolution is not None: clustering_args[ From 488ea7554d42de23289c2b799b0257af43dcf367 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 23 Jan 2024 11:55:16 +0100 Subject: [PATCH 26/71] (fix): import in function --- scanpy/tools/_leiden.py | 10 ++++++++-- 1 file changed, 8 insertions(+), 2 deletions(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 7cfb866874..48897bcddd 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -5,7 +5,6 @@ import numpy as np import pandas as pd -from igraph import set_random_number_generator from natsort import natsorted from .. import _utils @@ -122,6 +121,13 @@ def leiden( raise ImportError( "Please install the leiden algorithm: `conda install -c conda-forge leidenalg` or `pip3 install leidenalg`." ) + else: + try: + import igraph + except ImportError: + raise ImportError( + "Please install igraph: `conda install -c conda-forge igraph` or `pip3 install igraph`." + ) clustering_args = dict(clustering_args) start = logg.info("running Leiden clustering") @@ -160,7 +166,7 @@ def leiden( if not use_igraph: clustering_args["seed"] = random_state else: - set_random_number_generator(random) + igraph.set_random_number_generator(random) random.seed(random_state) if resolution is not None: clustering_args[ From 3db3bb586e34e98325236dbe84b99e402bcf0f53 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 23 Jan 2024 12:18:59 +0100 Subject: [PATCH 27/71] (fix): remove umap from test --- scanpy/tests/notebooks/test_pbmc3k.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index 5de2f31b66..658e0eebbb 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -100,7 +100,7 @@ def test_pbmc3k(image_comparer): # UMAP sc.pp.neighbors(adata, n_neighbors=10, n_pcs=40) - sc.tl.umap(adata) # umaps lead to slight variations + # sc.tl.umap(adata) # umaps lead to slight variations # sc.pl.umap(adata, color=['CST3', 'NKG7', 'PPBP'], use_raw=False, show=False) # save_and_compare_images('umap_1') @@ -108,8 +108,8 @@ def test_pbmc3k(image_comparer): # Clustering the graph sc.tl.leiden(adata, resolution=0.9) - sc.pl.umap(adata, color=["leiden", "CST3", "NKG7"], show=False) - save_and_compare_images("umap_2") + # sc.pl.umap(adata, color=["leiden", "CST3", "NKG7"], show=False) + # save_and_compare_images("umap_2") sc.pl.scatter(adata, "CST3", "NKG7", color="leiden", show=False) save_and_compare_images("scatter_3") From 540a204ed202d903362070444a742051936328df Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 23 Jan 2024 12:57:29 +0100 Subject: [PATCH 28/71] (fix): try different random? --- scanpy/tests/notebooks/test_pbmc3k.py | 2 +- scanpy/tools/_leiden.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index 658e0eebbb..db860aa3c1 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -107,7 +107,7 @@ def test_pbmc3k(image_comparer): # Clustering the graph - sc.tl.leiden(adata, resolution=0.9) + sc.tl.leiden(adata, resolution=0.9, random_state=0) # sc.pl.umap(adata, color=["leiden", "CST3", "NKG7"], show=False) # save_and_compare_images("umap_2") sc.pl.scatter(adata, "CST3", "NKG7", color="leiden", show=False) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 48897bcddd..01933e3f9a 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -166,8 +166,8 @@ def leiden( if not use_igraph: clustering_args["seed"] = random_state else: - igraph.set_random_number_generator(random) random.seed(random_state) + igraph.set_random_number_generator(random) if resolution is not None: clustering_args[ f"resolution{'_parameter' if not use_igraph else ''}" From d3afd437519eb4f3c990dbb25db25e98f739a266 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 23 Jan 2024 15:36:21 +0100 Subject: [PATCH 29/71] (feat): 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"NKG7"], show=False) # save_and_compare_images("umap_2") sc.pl.scatter(adata, "CST3", "NKG7", color="leiden", show=False) save_and_compare_images("scatter_3") # Finding marker genes + # Due to incosistency with our test runner vs local, these clusters need to + # be pre-annotated as the numbers for each cluster are not consistent. + marker_genes = [ + "RP11-18H21.1", + "GZMK", + "CD79A", + "FCGR3A", + "GNLY", + "S100A8", + "FCER1A", + "PPBP", + ] + new_labels = ["0", "1", "2", "3", "4", "5", "6", "7"] + data_df = adata[:, marker_genes].to_df() + data_df["leiden"] = adata.obs["leiden"] + max_idxs = data_df.groupby("leiden", observed=True).mean().idxmax() + leiden_relabel = {} + for marker_gene, new_label in zip(marker_genes, new_labels): + leiden_relabel[max_idxs[marker_gene]] = new_label + leiden_relabel + adata.rename_categories( + "leiden", [leiden_relabel[key] for key in sorted(leiden_relabel.keys())] + ) sc.tl.rank_genes_groups(adata, "leiden") sc.pl.rank_genes_groups(adata, n_genes=20, sharey=False, show=False) @@ -140,8 +164,8 @@ def test_pbmc3k(image_comparer): "CD4 T cells", "CD8 T cells", "B cells", - "NK cells", "FCGR3A+ Monocytes", + "NK cells", "CD14+ Monocytes", "Dendritic cells", "Megakaryocytes", From 0dbfe7b685e59f17f0c5c00ae88c9a3e576fd9b1 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 23 Jan 2024 15:56:40 +0100 Subject: [PATCH 30/71] (fix): publish artifacts --- .azure-pipelines.yml | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/.azure-pipelines.yml b/.azure-pipelines.yml index 70c85ce46f..ebae9a1ba9 100644 --- a/.azure-pipelines.yml +++ b/.azure-pipelines.yml @@ -79,6 +79,11 @@ jobs: displayName: 'PyTest (coverage)' condition: eq(variables['RUN_COVERAGE'], 'yes') + - task: PublishBuildArtifacts@1 + inputs: + pathToPublish: '$(Pipeline.Workspace)/s/scanpy/tests/notebooks/_images_pbmc3k' + artifactName: drop + - task: PublishCodeCoverageResults@1 inputs: codeCoverageTool: Cobertura From 26e6540d32141188a3c980133efb47776f5489b5 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 23 Jan 2024 17:05:28 +0100 Subject: [PATCH 31/71] (fix): try writing out data after relabel --- scanpy/tests/notebooks/test_pbmc3k.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index 9419d152b6..c3c51d37b5 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -108,7 +108,7 @@ def test_pbmc3k(image_comparer): # Clustering the graph sc.tl.leiden(adata, resolution=0.9, random_state=0) - adata.write_h5ad(ROOT / "pbmc3k_clustered.h5ad") + # sc.pl.umap(adata, color=["leiden", "CST3", "NKG7"], show=False) # save_and_compare_images("umap_2") sc.pl.scatter(adata, "CST3", "NKG7", color="leiden", show=False) @@ -134,10 +134,11 @@ def test_pbmc3k(image_comparer): leiden_relabel = {} for marker_gene, new_label in zip(marker_genes, new_labels): leiden_relabel[max_idxs[marker_gene]] = new_label - leiden_relabel + adata.obs["leiden_old"] = adata.obs["leiden"].copy() adata.rename_categories( "leiden", [leiden_relabel[key] for key in sorted(leiden_relabel.keys())] ) + adata.write_h5ad(ROOT / "pbmc3k_clustered.h5ad") sc.tl.rank_genes_groups(adata, "leiden") sc.pl.rank_genes_groups(adata, n_genes=20, sharey=False, show=False) From 0bcb2b7d04c079b61b28fbb62b53da7d5609d9eb Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Tue, 23 Jan 2024 18:14:32 +0100 Subject: [PATCH 32/71] (fix): try stable dataset --- scanpy/tests/notebooks/test_pbmc3k.py | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index c3c51d37b5..32419cacbf 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -32,9 +32,7 @@ def test_pbmc3k(image_comparer): 0 ) # ensure violin plots and other non-determinstic plots have deterministic behavior save_and_compare_images = partial(image_comparer, ROOT, tol=20) - adata = sc.read( - "./data/pbmc3k_raw.h5ad", backup_url="https://falexwolf.de/data/pbmc3k_raw.h5ad" - ) + adata = sc.datasets.pbmc3k() # Preprocessing From d583619c5805df1f6898b529394ffad2731add09 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Wed, 24 Jan 2024 10:01:43 +0100 Subject: [PATCH 33/71] (chore): add more writes --- scanpy/tests/notebooks/test_pbmc3k.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index 32419cacbf..fda42937ef 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -33,6 +33,7 @@ def test_pbmc3k(image_comparer): ) # ensure violin plots and other non-determinstic plots have deterministic behavior save_and_compare_images = partial(image_comparer, ROOT, tol=20) adata = sc.datasets.pbmc3k() + adata.write_h5ad(ROOT / "initial_dataset.h5ad") # Preprocessing @@ -41,6 +42,7 @@ def test_pbmc3k(image_comparer): sc.pp.filter_cells(adata, min_genes=200) sc.pp.filter_genes(adata, min_cells=3) + adata.write_h5ad(ROOT / "filtered_dataset.h5ad") mito_genes = [name for name in adata.var_names if name.startswith("MT-")] # for each cell compute fraction of counts in mito genes vs. all genes @@ -85,6 +87,7 @@ def test_pbmc3k(image_comparer): sc.pp.log1p(adata) sc.pp.regress_out(adata, ["n_counts", "percent_mito"]) sc.pp.scale(adata, max_value=10) + adata.write_h5ad(ROOT / "preprocessed_dataset.h5ad") # PCA From cf8449c342fc4f0a22e104a71abe9f59aea6405e Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Wed, 24 Jan 2024 11:19:37 +0100 Subject: [PATCH 34/71] (fix): sort categories --- .../_images_pbmc3k/violin_2/expected.png | Bin 30029 -> 29994 bytes scanpy/tests/notebooks/test_pbmc3k.py | 8 ++++---- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/scanpy/tests/notebooks/_images_pbmc3k/violin_2/expected.png 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zVGOx-f1!tm@9bF~5fOuA^bsU2YibbmfXimumKcLbbMPuYfjOrYOK@}av$u@Ts#W*B zByff{Q#voNfxD{0b;*MZGymXBCyF|#he|bGj0j|x!Srt0ECoX+qZ|qWsI7&oFePqm z3OEpxpoFp{s8hc~W}u@(2Fj$Uj%-DC1iF@Y6+-O|CAeS^=;L#fK-fu6yazc_KCaDt VGOfF~2cu09mo*JEiqvj~{U4~G(A@w4 diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index fda42937ef..e16d6b3478 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -33,7 +33,6 @@ def test_pbmc3k(image_comparer): ) # ensure violin plots and other non-determinstic plots have deterministic behavior save_and_compare_images = partial(image_comparer, ROOT, tol=20) adata = sc.datasets.pbmc3k() - adata.write_h5ad(ROOT / "initial_dataset.h5ad") # Preprocessing @@ -42,7 +41,6 @@ def test_pbmc3k(image_comparer): sc.pp.filter_cells(adata, min_genes=200) sc.pp.filter_genes(adata, min_cells=3) - adata.write_h5ad(ROOT / "filtered_dataset.h5ad") mito_genes = [name for name in adata.var_names if name.startswith("MT-")] # for each cell compute fraction of counts in mito genes vs. all genes @@ -87,7 +85,6 @@ def test_pbmc3k(image_comparer): sc.pp.log1p(adata) sc.pp.regress_out(adata, ["n_counts", "percent_mito"]) sc.pp.scale(adata, max_value=10) - adata.write_h5ad(ROOT / "preprocessed_dataset.h5ad") # PCA @@ -139,7 +136,10 @@ def test_pbmc3k(image_comparer): adata.rename_categories( "leiden", [leiden_relabel[key] for key in sorted(leiden_relabel.keys())] ) - adata.write_h5ad(ROOT / "pbmc3k_clustered.h5ad") + # ensure that the column can be sorted for consistent plotting since it is by default unordered + adata.obs["leiden"] = adata.obs["leiden"].cat.reorder_categories( + list(map(str, range(len(adata.obs["leiden"].cat.categories)))), ordered=True + ) sc.tl.rank_genes_groups(adata, "leiden") sc.pl.rank_genes_groups(adata, n_genes=20, sharey=False, show=False) From 6a306e89e2391d387f3e75c2ff7dda3d4ce21dd4 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Wed, 24 Jan 2024 11:37:08 +0100 Subject: [PATCH 35/71] (fix): require igraph --- scanpy/tests/test_clustering.py | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index a73d6bf3cc..97dbfeaf7c 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -14,6 +14,7 @@ def adata_neighbors(): @needs.leidenalg +@needs.igraph @pytest.mark.parametrize("use_igraph", [True, False, False]) @pytest.mark.parametrize("resolution", [1, 2]) @pytest.mark.parametrize("n_iterations", [-1, 3]) @@ -28,12 +29,14 @@ def test_leiden_basic(adata_neighbors, use_igraph, resolution, n_iterations): assert adata_neighbors.uns["leiden"]["params"]["n_iterations"] == n_iterations +@needs.igraph def test_leiden_igraph_directed(adata_neighbors): with pytest.raises(ValueError): sc.tl.leiden(adata_neighbors, directed=True) @needs.leidenalg +@needs.igraph def test_leiden_equal_defaults(adata_neighbors): """Ensure the two implementations are the same for the same args.""" leiden_alg_clustered = sc.tl.leiden(adata_neighbors, use_igraph=False, copy=True) @@ -47,6 +50,7 @@ def test_leiden_equal_defaults(adata_neighbors): @needs.leidenalg +@needs.igraph def test_leiden_equal_old_defaults(adata_neighbors): """Ensure that the old leidenalg defaults are close enough to the current default outputs.""" leiden_alg_clustered = sc.tl.leiden( @@ -61,6 +65,7 @@ def test_leiden_equal_old_defaults(adata_neighbors): ) +@needs.igraph @pytest.mark.parametrize( "clustering,key", [ @@ -96,6 +101,7 @@ def test_clustering_subset(adata_neighbors, clustering, key): @needs.louvain +@needs.igraph def test_louvain_basic(adata_neighbors): sc.tl.louvain(adata_neighbors) sc.tl.louvain(adata_neighbors, use_weights=True) @@ -104,6 +110,7 @@ def test_louvain_basic(adata_neighbors): @needs.louvain +@needs.igraph def test_partition_type(adata_neighbors): import louvain From 3cdd3374ae678e1f3dfab30d6b08da1b30edc481 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Wed, 24 Jan 2024 11:41:21 +0100 Subject: [PATCH 36/71] (chore): remove build artifact --- .azure-pipelines.yml | 5 ----- 1 file changed, 5 deletions(-) diff --git a/.azure-pipelines.yml b/.azure-pipelines.yml index ebae9a1ba9..70c85ce46f 100644 --- a/.azure-pipelines.yml +++ b/.azure-pipelines.yml @@ -79,11 +79,6 @@ jobs: displayName: 'PyTest (coverage)' condition: eq(variables['RUN_COVERAGE'], 'yes') - - task: PublishBuildArtifacts@1 - inputs: - pathToPublish: '$(Pipeline.Workspace)/s/scanpy/tests/notebooks/_images_pbmc3k' - artifactName: drop - - task: PublishCodeCoverageResults@1 inputs: codeCoverageTool: Cobertura From 60c53ebc922bf042cae028e9b4e06fcb306203bb Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Wed, 24 Jan 2024 11:43:07 +0100 Subject: [PATCH 37/71] (fix): spelling error --- scanpy/tools/_leiden.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 01933e3f9a..94e7601bba 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -146,7 +146,7 @@ def leiden( # convert it to igraph if use_igraph and directed: raise ValueError( - "Cannot use igraph's leiden implementaiton with a directed graph." + "Cannot use igraph's leiden implemntation with a directed graph." ) g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) # flip to the default partition type if not overriden by the user From bf02b53012f9aa8f23a61983e9c2a565f20871e1 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Wed, 24 Jan 2024 12:36:27 +0100 Subject: [PATCH 38/71] (fix): swap changed after re-ordering --- .../_images_pbmc3k/violin_2/expected.png | Bin 29994 -> 29416 bytes scanpy/tests/notebooks/test_pbmc3k.py | 6 +++--- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/scanpy/tests/notebooks/_images_pbmc3k/violin_2/expected.png b/scanpy/tests/notebooks/_images_pbmc3k/violin_2/expected.png index 85650fa28458c6498718a8441cac460a8cdbf401..670cbd2af92cc954316e00f857d59c82cdad8e41 100644 GIT binary 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z1+stDtCgcTB`XpRiC$gB7EW*jP!Hi=80X1vcwyuJys&Q~yB9Mg>?m+4`tYzZ004z7 z8cfTKaRLK7r2(;&3j2u8WZ{)KUoEEozkLk(*7XCe8-o8wyVUZED<30G#>@KnCfA2BFXpeLAO^`{4sAusec@ zD0$AGKMU*?xDhQ#4P7rC$|)%L=B%I!n$DuWyN;&*JHK!n@3i@oEGO>+>n6i%CUPQ( zPC0%Ggz2VXRSp_{GhUbQIhmm%Uj`NF?4#1qA5yKj Date: Wed, 24 Jan 2024 14:22:46 +0100 Subject: [PATCH 39/71] (chore): `use_igraph` -> `use_leidenalg` --- docs/release-notes/1.10.0.md | 2 +- scanpy/tests/test_clustering.py | 10 +++++----- scanpy/tools/_leiden.py | 22 +++++++++++++--------- 3 files changed, 19 insertions(+), 15 deletions(-) diff --git a/docs/release-notes/1.10.0.md b/docs/release-notes/1.10.0.md index e1118bdd5c..eb57d28277 100644 --- a/docs/release-notes/1.10.0.md +++ b/docs/release-notes/1.10.0.md @@ -14,7 +14,7 @@ * {func}`scanpy.pp.pca`, {func}`scanpy.pp.scale`, {func}`scanpy.pl.embedding`, and {func}`scanpy.experimental.pp.normalize_pearson_residuals_pca` now support a `mask` parameter {pr}`2272` {smaller}`C Bright, T Marcella, & P Angerer` * {func}`scanpy.tl.rank_genes_groups` no longer warns that it's default was changed from t-test_overestim_var to t-test {pr}`2798` {smaller}`L Heumos` -* {func}`scanpy.tl.leiden` now relies by default on `igraph` fully. `leidenalg`'s implementation is still available via `use_igraph` when set to `False`, although other defaults have now changed. {pr}`2815` {smaller}`I Gold` +* {func}`scanpy.tl.leiden` now relies by default on `igraph` fully. `leidenalg`'s implementation is still available via `use_leidenalg` when set to `True`, although other defaults have now changed. {pr}`2815` {smaller}`I Gold` ```{rubric} Docs ``` diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 97dbfeaf7c..823a7281dc 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -15,13 +15,13 @@ def adata_neighbors(): @needs.leidenalg @needs.igraph -@pytest.mark.parametrize("use_igraph", [True, False, False]) +@pytest.mark.parametrize("use_leidenalg", [False, True, True]) @pytest.mark.parametrize("resolution", [1, 2]) @pytest.mark.parametrize("n_iterations", [-1, 3]) -def test_leiden_basic(adata_neighbors, use_igraph, resolution, n_iterations): +def test_leiden_basic(adata_neighbors, use_leidenalg, resolution, n_iterations): sc.tl.leiden( adata_neighbors, - use_igraph=use_igraph, + use_leidenalg=use_leidenalg, resolution=resolution, n_iterations=n_iterations, ) @@ -39,7 +39,7 @@ def test_leiden_igraph_directed(adata_neighbors): @needs.igraph def test_leiden_equal_defaults(adata_neighbors): """Ensure the two implementations are the same for the same args.""" - leiden_alg_clustered = sc.tl.leiden(adata_neighbors, use_igraph=False, copy=True) + leiden_alg_clustered = sc.tl.leiden(adata_neighbors, use_leidenalg=True, copy=True) igraph_clustered = sc.tl.leiden(adata_neighbors, copy=True) assert ( normalized_mutual_info_score( @@ -54,7 +54,7 @@ def test_leiden_equal_defaults(adata_neighbors): def test_leiden_equal_old_defaults(adata_neighbors): """Ensure that the old leidenalg defaults are close enough to the current default outputs.""" leiden_alg_clustered = sc.tl.leiden( - adata_neighbors, use_igraph=False, directed=True, n_iterations=-1, copy=True + adata_neighbors, use_leidenalg=True, directed=True, n_iterations=-1, copy=True ) igraph_clustered = sc.tl.leiden(adata_neighbors, copy=True) assert ( diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 94e7601bba..3eba58d240 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -42,7 +42,7 @@ def leiden( neighbors_key: str | None = None, obsp: str | None = None, copy: bool = False, - use_igraph: bool = True, + use_leidenalg: bool = False, **clustering_args, ) -> AnnData | None: """\ @@ -98,6 +98,8 @@ def leiden( `obsp` and `neighbors_key` at the same time. copy Whether to copy `adata` or modify it inplace. + use_leidenalg + Whether or not to use the `leidenalg` leiden implementation. **clustering_args Any further arguments to pass to `~leidenalg.find_partition` (which in turn passes arguments to the `partition_type`) or `community_detection` from `igraph`. @@ -114,7 +116,7 @@ def leiden( A dict with the values for the parameters `resolution`, `random_state`, and `n_iterations`. """ - if not use_igraph: + if use_leidenalg: try: import leidenalg except ImportError: @@ -144,15 +146,15 @@ def leiden( adjacency=adjacency, ) # convert it to igraph - if use_igraph and directed: + if not use_leidenalg and directed: raise ValueError( "Cannot use igraph's leiden implemntation with a directed graph." ) g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) # flip to the default partition type if not overriden by the user - if partition_type is None and not use_igraph: + if partition_type is None and use_leidenalg: partition_type = leidenalg.RBConfigurationVertexPartition - elif use_igraph and partition_type is not None: + elif not use_leidenalg and partition_type is not None: raise ValueError("Do not pass in partition_type argument when using igraph.") # Prepare find_partition arguments as a dictionary, # appending to whatever the user provided. It needs to be this way @@ -160,20 +162,22 @@ def leiden( # (in the case of a partition variant that doesn't take it on input) if use_weights: clustering_args["weights"] = ( - "weight" if use_igraph else np.array(g.es["weight"]).astype(np.float64) + "weight" + if not use_leidenalg + else np.array(g.es["weight"]).astype(np.float64) ) clustering_args["n_iterations"] = n_iterations - if not use_igraph: + if use_leidenalg: clustering_args["seed"] = random_state else: random.seed(random_state) igraph.set_random_number_generator(random) if resolution is not None: clustering_args[ - f"resolution{'_parameter' if not use_igraph else ''}" + f"resolution{'_parameter' if use_leidenalg else ''}" ] = resolution # clustering proper - if use_igraph: + if not use_leidenalg: part = g.community_leiden(objective_function="modularity", **clustering_args) else: part = leidenalg.find_partition(g, partition_type, **clustering_args) From 015a2ac866f60b2650be0f3f8d83b76cd4bd32f7 Mon Sep 17 00:00:00 2001 From: Philipp A Date: Thu, 25 Jan 2024 10:25:20 +0100 Subject: [PATCH 40/71] fmt --- scanpy/tests/notebooks/test_pbmc3k.py | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index 72a3bd8c30..92ebba458f 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -28,9 +28,8 @@ @needs.leidenalg def test_pbmc3k(image_comparer): - np.random.seed( - 0 - ) # ensure violin plots and other non-determinstic plots have deterministic behavior + # ensure violin plots and other non-determinstic plots have deterministic behavior + np.random.seed(0) save_and_compare_images = partial(image_comparer, ROOT, tol=20) adata = sc.datasets.pbmc3k() From 3cf18f75b92fc556f79128dacb4580e12dfa94cf Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Thu, 25 Jan 2024 14:18:25 +0100 Subject: [PATCH 41/71] (refactor): `use_leidenalg` -> `backend` --- docs/release-notes/1.10.0.md | 2 +- scanpy/tests/test_clustering.py | 10 +++++----- scanpy/tools/_leiden.py | 26 ++++++++++++-------------- 3 files changed, 18 insertions(+), 20 deletions(-) diff --git a/docs/release-notes/1.10.0.md b/docs/release-notes/1.10.0.md index eb57d28277..90f2657d7c 100644 --- a/docs/release-notes/1.10.0.md +++ b/docs/release-notes/1.10.0.md @@ -14,7 +14,7 @@ * {func}`scanpy.pp.pca`, {func}`scanpy.pp.scale`, {func}`scanpy.pl.embedding`, and {func}`scanpy.experimental.pp.normalize_pearson_residuals_pca` now support a `mask` parameter {pr}`2272` {smaller}`C Bright, T Marcella, & P Angerer` * {func}`scanpy.tl.rank_genes_groups` no longer warns that it's default was changed from t-test_overestim_var to t-test {pr}`2798` {smaller}`L Heumos` -* {func}`scanpy.tl.leiden` now relies by default on `igraph` fully. `leidenalg`'s implementation is still available via `use_leidenalg` when set to `True`, although other defaults have now changed. {pr}`2815` {smaller}`I Gold` +* {func}`scanpy.tl.leiden` now relies by default on `igraph` fully. `leidenalg`'s implementation is still available via `backend` when set to `leidenalg`, although other defaults have now changed. {pr}`2815` {smaller}`I Gold` ```{rubric} Docs ``` diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 823a7281dc..3c2f143cc5 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -15,13 +15,13 @@ def adata_neighbors(): @needs.leidenalg @needs.igraph -@pytest.mark.parametrize("use_leidenalg", [False, True, True]) +@pytest.mark.parametrize("backend", ["igraph", "leidenalg", "leidenalg"]) @pytest.mark.parametrize("resolution", [1, 2]) @pytest.mark.parametrize("n_iterations", [-1, 3]) -def test_leiden_basic(adata_neighbors, use_leidenalg, resolution, n_iterations): +def test_leiden_basic(adata_neighbors, backend, resolution, n_iterations): sc.tl.leiden( adata_neighbors, - use_leidenalg=use_leidenalg, + backend=backend, resolution=resolution, n_iterations=n_iterations, ) @@ -39,7 +39,7 @@ def test_leiden_igraph_directed(adata_neighbors): @needs.igraph def test_leiden_equal_defaults(adata_neighbors): """Ensure the two implementations are the same for the same args.""" - leiden_alg_clustered = sc.tl.leiden(adata_neighbors, use_leidenalg=True, copy=True) + leiden_alg_clustered = sc.tl.leiden(adata_neighbors, backend="leidenalg", copy=True) igraph_clustered = sc.tl.leiden(adata_neighbors, copy=True) assert ( normalized_mutual_info_score( @@ -54,7 +54,7 @@ def test_leiden_equal_defaults(adata_neighbors): def test_leiden_equal_old_defaults(adata_neighbors): """Ensure that the old leidenalg defaults are close enough to the current default outputs.""" leiden_alg_clustered = sc.tl.leiden( - adata_neighbors, use_leidenalg=True, directed=True, n_iterations=-1, copy=True + adata_neighbors, backend="leidenalg", directed=True, n_iterations=-1, copy=True ) igraph_clustered = sc.tl.leiden(adata_neighbors, copy=True) assert ( diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 3eba58d240..e2eb192c8c 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -1,7 +1,7 @@ from __future__ import annotations import random -from typing import TYPE_CHECKING +from typing import TYPE_CHECKING, Literal import numpy as np import pandas as pd @@ -42,7 +42,7 @@ def leiden( neighbors_key: str | None = None, obsp: str | None = None, copy: bool = False, - use_leidenalg: bool = False, + backend: Literal["leidenalg", "ipgraph"] = "igraph", **clustering_args, ) -> AnnData | None: """\ @@ -98,8 +98,8 @@ def leiden( `obsp` and `neighbors_key` at the same time. copy Whether to copy `adata` or modify it inplace. - use_leidenalg - Whether or not to use the `leidenalg` leiden implementation. + backend + Which package's implementation to use. **clustering_args Any further arguments to pass to `~leidenalg.find_partition` (which in turn passes arguments to the `partition_type`) or `community_detection` from `igraph`. @@ -116,7 +116,7 @@ def leiden( A dict with the values for the parameters `resolution`, `random_state`, and `n_iterations`. """ - if use_leidenalg: + if backend == "leidenalg": try: import leidenalg except ImportError: @@ -146,15 +146,15 @@ def leiden( adjacency=adjacency, ) # convert it to igraph - if not use_leidenalg and directed: + if not backend == "leidenalg" and directed: raise ValueError( "Cannot use igraph's leiden implemntation with a directed graph." ) g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) # flip to the default partition type if not overriden by the user - if partition_type is None and use_leidenalg: + if partition_type is None and backend == "leidenalg": partition_type = leidenalg.RBConfigurationVertexPartition - elif not use_leidenalg and partition_type is not None: + elif not backend == "leidenalg" and partition_type is not None: raise ValueError("Do not pass in partition_type argument when using igraph.") # Prepare find_partition arguments as a dictionary, # appending to whatever the user provided. It needs to be this way @@ -163,21 +163,19 @@ def leiden( if use_weights: clustering_args["weights"] = ( "weight" - if not use_leidenalg + if not backend == "leidenalg" else np.array(g.es["weight"]).astype(np.float64) ) clustering_args["n_iterations"] = n_iterations - if use_leidenalg: + if backend == "leidenalg": clustering_args["seed"] = random_state else: random.seed(random_state) igraph.set_random_number_generator(random) if resolution is not None: - clustering_args[ - f"resolution{'_parameter' if use_leidenalg else ''}" - ] = resolution + clustering_args["resolution_parameter"] = resolution # clustering proper - if not use_leidenalg: + if not backend == "leidenalg": part = g.community_leiden(objective_function="modularity", **clustering_args) else: part = leidenalg.find_partition(g, partition_type, **clustering_args) From e903794357bcd7b478580c555d401196e97257ee Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Thu, 25 Jan 2024 14:23:00 +0100 Subject: [PATCH 42/71] (refactor): get `objective_function` from `clustering_args` --- scanpy/tests/test_clustering.py | 6 ++++++ scanpy/tools/_leiden.py | 5 ++++- 2 files changed, 10 insertions(+), 1 deletion(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 3c2f143cc5..39528d323b 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -65,6 +65,12 @@ def test_leiden_equal_old_defaults(adata_neighbors): ) +@needs.igraph +def test_leiden_objective_function(adata_neighbors): + """Ensure that popping this as a `clustering_kwargs` and using it does not error out.""" + sc.tl.leiden(adata_neighbors, objective_function="modularity") + + @needs.igraph @pytest.mark.parametrize( "clustering,key", diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index e2eb192c8c..db276eab39 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -176,7 +176,10 @@ def leiden( clustering_args["resolution_parameter"] = resolution # clustering proper if not backend == "leidenalg": - part = g.community_leiden(objective_function="modularity", **clustering_args) + objective_function = clustering_args.pop("objective_function", "modularity") + part = g.community_leiden( + objective_function=objective_function, **clustering_args + ) else: part = leidenalg.find_partition(g, partition_type, **clustering_args) # store output into adata.obs From 3dc2d95fe4e57345d0279102395335b4c8e53cfa Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Thu, 25 Jan 2024 14:23:09 +0100 Subject: [PATCH 43/71] (fix): docstring links --- scanpy/tools/_leiden.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index db276eab39..4988db5785 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -101,8 +101,8 @@ def leiden( backend Which package's implementation to use. **clustering_args - Any further arguments to pass to `~leidenalg.find_partition` (which in turn passes arguments to the `partition_type`) - or `community_detection` from `igraph`. + Any further arguments to pass to :func:`~leidenalg.find_partition` (which in turn passes arguments to the `partition_type`) + or :method:`igraph.Graph.community_leiden` from `igraph`. Returns ------- From bd8382db9900cfc37c0f578d7bb0329211aff8f1 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Thu, 25 Jan 2024 14:42:23 +0100 Subject: [PATCH 44/71] (refactor): create rng for igraph --- scanpy/tools/_leiden.py | 21 ++++++++++++++++++--- 1 file changed, 18 insertions(+), 3 deletions(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 4988db5785..5cdbe52020 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -1,11 +1,11 @@ from __future__ import annotations -import random from typing import TYPE_CHECKING, Literal import numpy as np import pandas as pd from natsort import natsorted +from sklearn.dummy import check_random_state from .. import _utils from .. import logging as logg @@ -27,6 +27,21 @@ class MutableVertexPartition: MutableVertexPartition.__module__ = "leidenalg.VertexPartition" +class RNGIgraph: + """ + Random number generator for ipgraph so global seed is not changed. + See :func:`igraph.set_random_number_generator` for the requirements. + """ + + def __init__(self, random_state: int) -> None: + self._rng = check_random_state(random_state) + + def __getattr__(self, attr: str): + if attr == "gauss": + return self._rng.normal + return getattr(self._rng, attr) + + def leiden( adata: AnnData, resolution: float = 1, @@ -170,8 +185,8 @@ def leiden( if backend == "leidenalg": clustering_args["seed"] = random_state else: - random.seed(random_state) - igraph.set_random_number_generator(random) + rng = RNGIgraph(random_state) + igraph.set_random_number_generator(rng) if resolution is not None: clustering_args["resolution_parameter"] = resolution # clustering proper From 6958e7dc6bb8a2acb04f1cb5161fbb6e526a9eb2 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Thu, 25 Jan 2024 15:01:50 +0100 Subject: [PATCH 45/71] (refactor): less lines --- scanpy/tools/_leiden.py | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 5cdbe52020..0626546f34 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -37,9 +37,7 @@ def __init__(self, random_state: int) -> None: self._rng = check_random_state(random_state) def __getattr__(self, attr: str): - if attr == "gauss": - return self._rng.normal - return getattr(self._rng, attr) + return getattr(self._rng, "normal" if attr == "gauss" else attr) def leiden( From 4f736dfa6c26a661903e1eb8329d2be953c02c67 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Fri, 26 Jan 2024 09:39:20 +0100 Subject: [PATCH 46/71] (chore): add test for random state --- scanpy/tests/test_clustering.py | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 39528d323b..e6ac463fc7 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -29,6 +29,17 @@ def test_leiden_basic(adata_neighbors, backend, resolution, n_iterations): assert adata_neighbors.uns["leiden"]["params"]["n_iterations"] == n_iterations +@pytest.mark.parametrize("backend", ["igraph", "leidenalg", "leidenalg"]) +def test_leiden_random_state(adata_neighbors, backend): + adata_1 = sc.tl.leiden(adata_neighbors, backend=backend, random_state=1, copy=True) + adata_1_again = sc.tl.leiden( + adata_neighbors, backend=backend, random_state=1, copy=True + ) + adata_2 = sc.tl.leiden(adata_neighbors, backend=backend, random_state=50, copy=True) + assert (adata_1.obs["leiden"] == adata_1_again.obs["leiden"]).all() + assert (adata_2.obs["leiden"] != adata_1_again.obs["leiden"]).any() + + @needs.igraph def test_leiden_igraph_directed(adata_neighbors): with pytest.raises(ValueError): From eb070d6be6929957b17d83ae4f93230a6298964e Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Fri, 26 Jan 2024 12:00:44 +0100 Subject: [PATCH 47/71] (refactor): fix initial state settings for other `igraph` methods by using `random` again --- docs/release-notes/1.10.0.md | 2 +- scanpy/_utils/__init__.py | 38 +++++++++++++++++++++++-- scanpy/tests/test_clustering.py | 20 +++++++------- scanpy/tools/_leiden.py | 49 +++++++++------------------------ 4 files changed, 60 insertions(+), 49 deletions(-) diff --git a/docs/release-notes/1.10.0.md b/docs/release-notes/1.10.0.md index 90f2657d7c..4a6c270d7e 100644 --- a/docs/release-notes/1.10.0.md +++ b/docs/release-notes/1.10.0.md @@ -14,7 +14,7 @@ * {func}`scanpy.pp.pca`, {func}`scanpy.pp.scale`, {func}`scanpy.pl.embedding`, and {func}`scanpy.experimental.pp.normalize_pearson_residuals_pca` now support a `mask` parameter {pr}`2272` {smaller}`C Bright, T Marcella, & P Angerer` * {func}`scanpy.tl.rank_genes_groups` no longer warns that it's default was changed from t-test_overestim_var to t-test {pr}`2798` {smaller}`L Heumos` -* {func}`scanpy.tl.leiden` now relies by default on `igraph` fully. `leidenalg`'s implementation is still available via `backend` when set to `leidenalg`, although other defaults have now changed. {pr}`2815` {smaller}`I Gold` +* {func}`scanpy.tl.leiden` now relies by default on `igraph` fully. `leidenalg`'s implementation is still available via `flavor` when set to `leidenalg`, although other defaults have now changed. {pr}`2815` {smaller}`I Gold` ```{rubric} Docs ``` diff --git a/scanpy/_utils/__init__.py b/scanpy/_utils/__init__.py index 81e5de4c9f..ece1d9fe6c 100644 --- a/scanpy/_utils/__init__.py +++ b/scanpy/_utils/__init__.py @@ -7,9 +7,11 @@ import importlib.util import inspect +import random import sys import warnings from collections import namedtuple +from contextlib import contextmanager from enum import Enum from functools import partial, singledispatch, wraps from textwrap import dedent @@ -20,10 +22,10 @@ import numpy as np from anndata import AnnData from anndata import __version__ as anndata_version -from numpy import random from numpy.typing import NDArray from packaging import version from scipy import sparse +from sklearn.dummy import check_random_state from .. import logging as logg from .._compat import DaskArray @@ -45,7 +47,39 @@ def __repr__(self) -> str: _empty = Empty.token # e.g. https://scikit-learn.org/stable/modules/generated/sklearn.decomposition.PCA.html -AnyRandom = Union[int, random.RandomState, None] # maybe in the future random.Generator +AnyRandom = Union[ + int, np.random.RandomState, None +] # maybe in the future random.Generator + + +class RNGIgraph: + """ + Random number generator for ipgraph so global seed is not changed. + See :func:`igraph.set_random_number_generator` for the requirements. + """ + + def __init__(self, random_state: int = 0) -> None: + self._rng = check_random_state(random_state) + + def __getattr__(self, attr: str): + return getattr(self._rng, "normal" if attr == "gauss" else attr) + + +@contextmanager +def set_igraph_random_state(random_state: int): + try: + import igraph + except ImportError: + raise ImportError( + "Please install igraph: `conda install -c conda-forge igraph` or `pip3 install igraph`." + ) + rng = RNGIgraph(random_state) + try: + igraph.set_random_number_generator(rng) + yield None + finally: + igraph.set_random_number_generator(random) + EPS = 1e-15 diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index e6ac463fc7..d4c22773c6 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -15,13 +15,13 @@ def adata_neighbors(): @needs.leidenalg @needs.igraph -@pytest.mark.parametrize("backend", ["igraph", "leidenalg", "leidenalg"]) +@pytest.mark.parametrize("flavor", ["igraph", "leidenalg", "leidenalg"]) @pytest.mark.parametrize("resolution", [1, 2]) @pytest.mark.parametrize("n_iterations", [-1, 3]) -def test_leiden_basic(adata_neighbors, backend, resolution, n_iterations): +def test_leiden_basic(adata_neighbors, flavor, resolution, n_iterations): sc.tl.leiden( adata_neighbors, - backend=backend, + flavor=flavor, resolution=resolution, n_iterations=n_iterations, ) @@ -29,13 +29,13 @@ def test_leiden_basic(adata_neighbors, backend, resolution, n_iterations): assert adata_neighbors.uns["leiden"]["params"]["n_iterations"] == n_iterations -@pytest.mark.parametrize("backend", ["igraph", "leidenalg", "leidenalg"]) -def test_leiden_random_state(adata_neighbors, backend): - adata_1 = sc.tl.leiden(adata_neighbors, backend=backend, random_state=1, copy=True) +@pytest.mark.parametrize("flavor", ["igraph", "leidenalg", "leidenalg"]) +def test_leiden_random_state(adata_neighbors, flavor): + adata_1 = sc.tl.leiden(adata_neighbors, flavor=flavor, random_state=1, copy=True) adata_1_again = sc.tl.leiden( - adata_neighbors, backend=backend, random_state=1, copy=True + adata_neighbors, flavor=flavor, random_state=1, copy=True ) - adata_2 = sc.tl.leiden(adata_neighbors, backend=backend, random_state=50, copy=True) + adata_2 = sc.tl.leiden(adata_neighbors, flavor=flavor, random_state=50, copy=True) assert (adata_1.obs["leiden"] == adata_1_again.obs["leiden"]).all() assert (adata_2.obs["leiden"] != adata_1_again.obs["leiden"]).any() @@ -50,7 +50,7 @@ def test_leiden_igraph_directed(adata_neighbors): @needs.igraph def test_leiden_equal_defaults(adata_neighbors): """Ensure the two implementations are the same for the same args.""" - leiden_alg_clustered = sc.tl.leiden(adata_neighbors, backend="leidenalg", copy=True) + leiden_alg_clustered = sc.tl.leiden(adata_neighbors, flavor="leidenalg", copy=True) igraph_clustered = sc.tl.leiden(adata_neighbors, copy=True) assert ( normalized_mutual_info_score( @@ -65,7 +65,7 @@ def test_leiden_equal_defaults(adata_neighbors): def test_leiden_equal_old_defaults(adata_neighbors): """Ensure that the old leidenalg defaults are close enough to the current default outputs.""" leiden_alg_clustered = sc.tl.leiden( - adata_neighbors, backend="leidenalg", directed=True, n_iterations=-1, copy=True + adata_neighbors, flavor="leidenalg", directed=True, n_iterations=-1, copy=True ) igraph_clustered = sc.tl.leiden(adata_neighbors, copy=True) assert ( diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 0626546f34..99fa1a2eec 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -5,7 +5,6 @@ import numpy as np import pandas as pd from natsort import natsorted -from sklearn.dummy import check_random_state from .. import _utils from .. import logging as logg @@ -27,19 +26,6 @@ class MutableVertexPartition: MutableVertexPartition.__module__ = "leidenalg.VertexPartition" -class RNGIgraph: - """ - Random number generator for ipgraph so global seed is not changed. - See :func:`igraph.set_random_number_generator` for the requirements. - """ - - def __init__(self, random_state: int) -> None: - self._rng = check_random_state(random_state) - - def __getattr__(self, attr: str): - return getattr(self._rng, "normal" if attr == "gauss" else attr) - - def leiden( adata: AnnData, resolution: float = 1, @@ -55,7 +41,7 @@ def leiden( neighbors_key: str | None = None, obsp: str | None = None, copy: bool = False, - backend: Literal["leidenalg", "ipgraph"] = "igraph", + flavor: Literal["leidenalg", "ipgraph"] = "igraph", **clustering_args, ) -> AnnData | None: """\ @@ -111,7 +97,7 @@ def leiden( `obsp` and `neighbors_key` at the same time. copy Whether to copy `adata` or modify it inplace. - backend + flavor Which package's implementation to use. **clustering_args Any further arguments to pass to :func:`~leidenalg.find_partition` (which in turn passes arguments to the `partition_type`) @@ -129,20 +115,13 @@ def leiden( A dict with the values for the parameters `resolution`, `random_state`, and `n_iterations`. """ - if backend == "leidenalg": + if flavor == "leidenalg": try: import leidenalg except ImportError: raise ImportError( "Please install the leiden algorithm: `conda install -c conda-forge leidenalg` or `pip3 install leidenalg`." ) - else: - try: - import igraph - except ImportError: - raise ImportError( - "Please install igraph: `conda install -c conda-forge igraph` or `pip3 install igraph`." - ) clustering_args = dict(clustering_args) start = logg.info("running Leiden clustering") @@ -159,15 +138,15 @@ def leiden( adjacency=adjacency, ) # convert it to igraph - if not backend == "leidenalg" and directed: + if not flavor == "leidenalg" and directed: raise ValueError( "Cannot use igraph's leiden implemntation with a directed graph." ) g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) # flip to the default partition type if not overriden by the user - if partition_type is None and backend == "leidenalg": + if partition_type is None and flavor == "leidenalg": partition_type = leidenalg.RBConfigurationVertexPartition - elif not backend == "leidenalg" and partition_type is not None: + elif not flavor == "leidenalg" and partition_type is not None: raise ValueError("Do not pass in partition_type argument when using igraph.") # Prepare find_partition arguments as a dictionary, # appending to whatever the user provided. It needs to be this way @@ -176,23 +155,21 @@ def leiden( if use_weights: clustering_args["weights"] = ( "weight" - if not backend == "leidenalg" + if not flavor == "leidenalg" else np.array(g.es["weight"]).astype(np.float64) ) clustering_args["n_iterations"] = n_iterations - if backend == "leidenalg": + if flavor == "leidenalg": clustering_args["seed"] = random_state - else: - rng = RNGIgraph(random_state) - igraph.set_random_number_generator(rng) if resolution is not None: clustering_args["resolution_parameter"] = resolution # clustering proper - if not backend == "leidenalg": + if not flavor == "leidenalg": objective_function = clustering_args.pop("objective_function", "modularity") - part = g.community_leiden( - objective_function=objective_function, **clustering_args - ) + with _utils.set_igraph_random_state(random_state): + part = g.community_leiden( + objective_function=objective_function, **clustering_args + ) else: part = leidenalg.find_partition(g, partition_type, **clustering_args) # store output into adata.obs From 4b8c823a5735e56b5963c4f98e24944a3f759e9d Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Fri, 26 Jan 2024 13:19:17 +0100 Subject: [PATCH 48/71] (refactor): `FLAVORS` reuse in test --- scanpy/tests/test_clustering.py | 12 ++++++++---- 1 file changed, 8 insertions(+), 4 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index d4c22773c6..198934e34c 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -13,9 +13,13 @@ def adata_neighbors(): return pbmc68k_reduced() -@needs.leidenalg -@needs.igraph -@pytest.mark.parametrize("flavor", ["igraph", "leidenalg", "leidenalg"]) +FLAVORS = [ + pytest.param("igraph", marks=needs.igraph), + pytest.param("leidenalg", marks=needs.leidenalg), +] + + +@pytest.mark.parametrize("flavor", FLAVORS) @pytest.mark.parametrize("resolution", [1, 2]) @pytest.mark.parametrize("n_iterations", [-1, 3]) def test_leiden_basic(adata_neighbors, flavor, resolution, n_iterations): @@ -29,7 +33,7 @@ def test_leiden_basic(adata_neighbors, flavor, resolution, n_iterations): assert adata_neighbors.uns["leiden"]["params"]["n_iterations"] == n_iterations -@pytest.mark.parametrize("flavor", ["igraph", "leidenalg", "leidenalg"]) +@pytest.mark.parametrize("flavor", FLAVORS) def test_leiden_random_state(adata_neighbors, flavor): adata_1 = sc.tl.leiden(adata_neighbors, flavor=flavor, random_state=1, copy=True) adata_1_again = sc.tl.leiden( From 66cc1e28cd3c49ae78fce3390f773e8fb4ca1386 Mon Sep 17 00:00:00 2001 From: Ilan Gold Date: Fri, 26 Jan 2024 13:19:51 +0100 Subject: [PATCH 49/71] Update scanpy/tools/_leiden.py Co-authored-by: Philipp A. --- scanpy/tools/_leiden.py | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 99fa1a2eec..5fba8555c4 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -165,11 +165,9 @@ def leiden( clustering_args["resolution_parameter"] = resolution # clustering proper if not flavor == "leidenalg": - objective_function = clustering_args.pop("objective_function", "modularity") + clustering_args.setdefault("objective_function", "modularity") with _utils.set_igraph_random_state(random_state): - part = g.community_leiden( - objective_function=objective_function, **clustering_args - ) + part = g.community_leiden(**clustering_args) else: part = leidenalg.find_partition(g, partition_type, **clustering_args) # store output into adata.obs From 5c49c56965d188fd9769620d7796f4223aab81d5 Mon Sep 17 00:00:00 2001 From: Ilan Gold Date: Fri, 26 Jan 2024 13:20:21 +0100 Subject: [PATCH 50/71] Update scanpy/_utils/__init__.py Co-authored-by: Philipp A. --- scanpy/_utils/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/scanpy/_utils/__init__.py b/scanpy/_utils/__init__.py index ece1d9fe6c..be9518370d 100644 --- a/scanpy/_utils/__init__.py +++ b/scanpy/_utils/__init__.py @@ -25,7 +25,7 @@ from numpy.typing import NDArray from packaging import version from scipy import sparse -from sklearn.dummy import check_random_state +from sklearn.utils import check_random_state from .. import logging as logg from .._compat import DaskArray From 04cd7f947e6d98bac0d8f62018b399520db8e573 Mon Sep 17 00:00:00 2001 From: Ilan Gold Date: Fri, 26 Jan 2024 13:21:17 +0100 Subject: [PATCH 51/71] Update scanpy/_utils/__init__.py Co-authored-by: Philipp A. --- scanpy/_utils/__init__.py | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/scanpy/_utils/__init__.py b/scanpy/_utils/__init__.py index be9518370d..92ddbcd526 100644 --- a/scanpy/_utils/__init__.py +++ b/scanpy/_utils/__init__.py @@ -47,9 +47,8 @@ def __repr__(self) -> str: _empty = Empty.token # e.g. https://scikit-learn.org/stable/modules/generated/sklearn.decomposition.PCA.html -AnyRandom = Union[ - int, np.random.RandomState, None -] # maybe in the future random.Generator +# maybe in the future 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Philipp A. --- scanpy/tools/_leiden.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 5fba8555c4..f46741110e 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -101,7 +101,7 @@ def leiden( Which package's implementation to use. **clustering_args Any further arguments to pass to :func:`~leidenalg.find_partition` (which in turn passes arguments to the `partition_type`) - or :method:`igraph.Graph.community_leiden` from `igraph`. + or :meth:`igraph.Graph.community_leiden` from `igraph`. Returns ------- From de7af6aa0a216c3e6d55849a5b78fc0d0e1eac3a Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Thu, 15 Feb 2024 13:32:01 +0100 Subject: [PATCH 55/71] (chore): switch back to `leidenalg` default --- scanpy/tests/notebooks/test_pbmc3k.py | 9 ++++++++- scanpy/tools/_leiden.py | 10 +++++++--- 2 files changed, 15 insertions(+), 4 deletions(-) diff --git a/scanpy/tests/notebooks/test_pbmc3k.py b/scanpy/tests/notebooks/test_pbmc3k.py index 92ebba458f..74a5a704ef 100644 --- a/scanpy/tests/notebooks/test_pbmc3k.py +++ b/scanpy/tests/notebooks/test_pbmc3k.py @@ -104,7 +104,14 @@ def test_pbmc3k(image_comparer): # Clustering the graph - sc.tl.leiden(adata, resolution=0.9, random_state=0) + sc.tl.leiden( + adata, + resolution=0.9, + random_state=0, + directed=False, + n_iterations=2, + flavor="igraph", + ) # sc.pl.umap(adata, color=["leiden", "CST3", "NKG7"], show=False) # save_and_compare_images("umap_2") diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index f46741110e..c407cf94b3 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -1,5 +1,6 @@ from __future__ import annotations +import warnings from typing import TYPE_CHECKING, Literal import numpy as np @@ -34,14 +35,14 @@ def leiden( random_state: _utils.AnyRandom = 0, key_added: str = "leiden", adjacency: sparse.spmatrix | None = None, - directed: bool = False, + directed: bool = True, use_weights: bool = True, - n_iterations: int = 2, + n_iterations: int = -1, partition_type: type[MutableVertexPartition] | None = None, neighbors_key: str | None = None, obsp: str | None = None, copy: bool = False, - flavor: Literal["leidenalg", "ipgraph"] = "igraph", + flavor: Literal["leidenalg", "ipgraph"] = "leidenalg", **clustering_args, ) -> AnnData | None: """\ @@ -118,6 +119,9 @@ def leiden( if flavor == "leidenalg": try: import leidenalg + + msg = 'Use of leidenalg is discouraged and will be deprecated in the future. Please use `flavor="igraph"` with `directed=False` and `n_iterations=2` to achieve similar results.' + warnings.warn(msg, FutureWarning) except ImportError: raise ImportError( "Please install the leiden algorithm: `conda install -c conda-forge leidenalg` or `pip3 install leidenalg`." From 99aa47c9390bdba92a1eb5cb25d90400940b1ac0 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Thu, 15 Feb 2024 13:51:22 +0100 Subject: [PATCH 56/71] (chore): fix clustering tests and update message --- scanpy/tests/test_clustering.py | 35 +++++++++++++++++++++++---------- scanpy/tools/_leiden.py | 2 +- 2 files changed, 26 insertions(+), 11 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 198934e34c..2a3d989de9 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -19,6 +19,8 @@ def adata_neighbors(): ] +@needs.leidenalg +@needs.igraph @pytest.mark.parametrize("flavor", FLAVORS) @pytest.mark.parametrize("resolution", [1, 2]) @pytest.mark.parametrize("n_iterations", [-1, 3]) @@ -33,13 +35,20 @@ def test_leiden_basic(adata_neighbors, flavor, resolution, n_iterations): assert adata_neighbors.uns["leiden"]["params"]["n_iterations"] == n_iterations +@needs.leidenalg +@needs.igraph @pytest.mark.parametrize("flavor", FLAVORS) def test_leiden_random_state(adata_neighbors, flavor): - adata_1 = sc.tl.leiden(adata_neighbors, flavor=flavor, random_state=1, copy=True) + directed = flavor == "leidenalg" + adata_1 = sc.tl.leiden( + adata_neighbors, flavor=flavor, random_state=1, copy=True, directed=directed + ) adata_1_again = sc.tl.leiden( - adata_neighbors, flavor=flavor, random_state=1, copy=True + adata_neighbors, flavor=flavor, random_state=1, copy=True, directed=directed + ) + adata_2 = sc.tl.leiden( + adata_neighbors, flavor=flavor, random_state=50, copy=True, directed=directed ) - adata_2 = sc.tl.leiden(adata_neighbors, flavor=flavor, random_state=50, copy=True) assert (adata_1.obs["leiden"] == adata_1_again.obs["leiden"]).all() assert (adata_2.obs["leiden"] != adata_1_again.obs["leiden"]).any() @@ -47,15 +56,19 @@ def test_leiden_random_state(adata_neighbors, flavor): @needs.igraph def test_leiden_igraph_directed(adata_neighbors): with pytest.raises(ValueError): - sc.tl.leiden(adata_neighbors, directed=True) + sc.tl.leiden(adata_neighbors, flavor="igraph") @needs.leidenalg @needs.igraph -def test_leiden_equal_defaults(adata_neighbors): +def test_leiden_equal_defaults_same_args(adata_neighbors): """Ensure the two implementations are the same for the same args.""" - leiden_alg_clustered = sc.tl.leiden(adata_neighbors, flavor="leidenalg", copy=True) - igraph_clustered = sc.tl.leiden(adata_neighbors, copy=True) + leiden_alg_clustered = sc.tl.leiden( + adata_neighbors, flavor="leidenalg", copy=True, n_iterations=2 + ) + igraph_clustered = sc.tl.leiden( + adata_neighbors, flavor="igraph", copy=True, directed=False, n_iterations=2 + ) assert ( normalized_mutual_info_score( leiden_alg_clustered.obs["leiden"], igraph_clustered.obs["leiden"] @@ -66,12 +79,14 @@ def test_leiden_equal_defaults(adata_neighbors): @needs.leidenalg @needs.igraph -def test_leiden_equal_old_defaults(adata_neighbors): +def test_leiden_equal_defaults(adata_neighbors): """Ensure that the old leidenalg defaults are close enough to the current default outputs.""" leiden_alg_clustered = sc.tl.leiden( - adata_neighbors, flavor="leidenalg", directed=True, n_iterations=-1, copy=True + adata_neighbors, flavor="leidenalg", directed=True, copy=True + ) + igraph_clustered = sc.tl.leiden( + adata_neighbors, copy=True, n_iterations=2, directred=False ) - igraph_clustered = sc.tl.leiden(adata_neighbors, copy=True) assert ( normalized_mutual_info_score( leiden_alg_clustered.obs["leiden"], igraph_clustered.obs["leiden"] diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index c407cf94b3..d020c12447 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -120,7 +120,7 @@ def leiden( try: import leidenalg - msg = 'Use of leidenalg is discouraged and will be deprecated in the future. Please use `flavor="igraph"` with `directed=False` and `n_iterations=2` to achieve similar results.' + msg = 'Use of leidenalg is discouraged and will be deprecated in the future. Please use `flavor="igraph"` `n_iterations=2` to achieve similar results. `directed` must also be `False` to work with `igraph`\'s implementation.' warnings.warn(msg, FutureWarning) except ImportError: raise ImportError( From 726c59ed5d73cd0b66ecc03df67fe8422945a842 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Thu, 15 Feb 2024 14:09:14 +0100 Subject: [PATCH 57/71] (fix): plotting test --- scanpy/tests/test_plotting.py | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/scanpy/tests/test_plotting.py b/scanpy/tests/test_plotting.py index 898a9ac2a0..cdece52222 100644 --- a/scanpy/tests/test_plotting.py +++ b/scanpy/tests/test_plotting.py @@ -103,7 +103,14 @@ def test_heatmap(image_comparer): # test var_names as dict pbmc = pbmc68k_reduced() - sc.tl.leiden(pbmc, key_added="clusters", resolution=0.5) + sc.tl.leiden( + pbmc, + key_added="clusters", + resolution=0.5, + flavor="igraph", + n_iterations=2, + directed=False, + ) # call umap to trigger colors for the clusters sc.pl.umap(pbmc, color="clusters") marker_genes_dict = { From f2da7957fcc167dd77474bbfc5e817a55c46170f Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Thu, 15 Feb 2024 14:10:00 +0100 Subject: [PATCH 58/71] (fix): `test_leiden_basic` `directed` arg --- scanpy/tests/test_clustering.py | 1 + 1 file changed, 1 insertion(+) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 2a3d989de9..fe59637caa 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -30,6 +30,7 @@ def test_leiden_basic(adata_neighbors, flavor, resolution, n_iterations): flavor=flavor, resolution=resolution, n_iterations=n_iterations, + directed=(flavor == "leidenalg"), ) assert adata_neighbors.uns["leiden"]["params"]["resolution"] == resolution assert adata_neighbors.uns["leiden"]["params"]["n_iterations"] == n_iterations From 13ae6b67bcbb6a794fb4409e298e8bd5b51e5a51 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Thu, 15 Feb 2024 14:26:22 +0100 Subject: [PATCH 59/71] (fix): fix iterations to defaults --- scanpy/tests/test_clustering.py | 28 ++++++++++++++++++++++------ 1 file changed, 22 insertions(+), 6 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index fe59637caa..af005df1f2 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -40,15 +40,31 @@ def test_leiden_basic(adata_neighbors, flavor, resolution, n_iterations): @needs.igraph @pytest.mark.parametrize("flavor", FLAVORS) def test_leiden_random_state(adata_neighbors, flavor): - directed = flavor == "leidenalg" + is_leiden_alg = flavor == "leidenalg" + n_iterations = 2 if is_leiden_alg else -1 adata_1 = sc.tl.leiden( - adata_neighbors, flavor=flavor, random_state=1, copy=True, directed=directed + adata_neighbors, + flavor=flavor, + random_state=1, + copy=True, + directed=is_leiden_alg, + n_iterations=n_iterations, ) adata_1_again = sc.tl.leiden( - adata_neighbors, flavor=flavor, random_state=1, copy=True, directed=directed + adata_neighbors, + flavor=flavor, + random_state=1, + copy=True, + directed=is_leiden_alg, + n_iterations=n_iterations, ) adata_2 = sc.tl.leiden( - adata_neighbors, flavor=flavor, random_state=50, copy=True, directed=directed + adata_neighbors, + flavor=flavor, + random_state=50, + copy=True, + directed=is_leiden_alg, + n_iterations=n_iterations, ) assert (adata_1.obs["leiden"] == adata_1_again.obs["leiden"]).all() assert (adata_2.obs["leiden"] != adata_1_again.obs["leiden"]).any() @@ -86,7 +102,7 @@ def test_leiden_equal_defaults(adata_neighbors): adata_neighbors, flavor="leidenalg", directed=True, copy=True ) igraph_clustered = sc.tl.leiden( - adata_neighbors, copy=True, n_iterations=2, directred=False + adata_neighbors, copy=True, n_iterations=2, directed=False ) assert ( normalized_mutual_info_score( @@ -99,7 +115,7 @@ def test_leiden_equal_defaults(adata_neighbors): @needs.igraph def test_leiden_objective_function(adata_neighbors): """Ensure that popping this as a `clustering_kwargs` and using it does not error out.""" - sc.tl.leiden(adata_neighbors, objective_function="modularity") + sc.tl.leiden(adata_neighbors, objective_function="modularity", flavor="igraph") @needs.igraph From cc31a2e1cb602ae5e0f7cb0bc6b5ed10fc814f67 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Fri, 16 Feb 2024 14:16:59 +0100 Subject: [PATCH 60/71] (fix): correct category swapping --- .../_images_pbmc3k/violin_2/expected.png | Bin 29578 -> 29846 bytes scanpy/tests/notebooks/test_pbmc3k.py | 7 +++---- 2 files changed, 3 insertions(+), 4 deletions(-) diff --git a/scanpy/tests/notebooks/_images_pbmc3k/violin_2/expected.png b/scanpy/tests/notebooks/_images_pbmc3k/violin_2/expected.png index 49f4191e27b566f547c9ea6f87c1ed49d7ee9ce0..95541fe516a9abe0a4e53919958f241dc077b5e1 100644 GIT binary patch literal 29846 zcmd>lgN6!T*-3h3z%OABc>@m} zXKN2{b2lr9nz@IIgR_T&9gN1y%FW%**@>4!h=YfX#@55b#a)Dx)A4`*fy3F&hLh&@ 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test_pbmc3k(image_comparer): if adata[adata.obs["leiden"] == "4", "CST3"].X.mean() < 1: new_labels = ["0", "1", "2", "4", "3", "5", "6", "7"] adata.rename_categories("leiden", new_labels) + adata.obs["leiden"] = adata.obs["leiden"].cat.reorder_categories( + list(map(str, range(len(adata.obs["leiden"].cat.categories)))), ordered=True + ) new_cluster_names = [ "CD4 T cells", From 5df37d28d68c74dc87b15681fe371d1241ce1419 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Fri, 16 Feb 2024 14:50:33 +0100 Subject: [PATCH 62/71] (fix): clean up simple tests --- scanpy/tests/test_clustering.py | 13 +++++++++++-- 1 file changed, 11 insertions(+), 2 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index af005df1f2..e4dfe7f2fc 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -67,7 +67,11 @@ def test_leiden_random_state(adata_neighbors, flavor): n_iterations=n_iterations, ) assert (adata_1.obs["leiden"] == adata_1_again.obs["leiden"]).all() - assert (adata_2.obs["leiden"] != adata_1_again.obs["leiden"]).any() + # This random state produces different categories so can't check the arrays against each other. + assert ( + adata_2.obs["leiden"].cat.categories + != adata_1_again.obs["leiden"].cat.categories + ).any() @needs.igraph @@ -115,7 +119,12 @@ def test_leiden_equal_defaults(adata_neighbors): @needs.igraph def test_leiden_objective_function(adata_neighbors): """Ensure that popping this as a `clustering_kwargs` and using it does not error out.""" - sc.tl.leiden(adata_neighbors, objective_function="modularity", flavor="igraph") + sc.tl.leiden( + adata_neighbors, + objective_function="modularity", + flavor="igraph", + directed=False, + ) @needs.igraph From 9f6b535ef03f8e215a970ff5852d9cb6644c7435 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Fri, 16 Feb 2024 15:00:22 +0100 Subject: [PATCH 63/71] (fix): remove unnecessary cluster swap. --- .../_images_pbmc3k/violin_2/expected.png | Bin 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za|XL-DXd&P=467mb4ADOt9dpQ^H>paga6DyXUbOaBLQBIr$U`OU&zR0xGv$-4te zYHCsJ;?SPP%p^l9hCmbo%SO#jivXo^NIl4)O8P|3Ut$%6yZ(tUxMXGNpUa@|h7X%9 z1Abgmwl#B`YhCJ6?QI-^qy| z5*2xHj}Q=H7+FO1Z3U;Fy9Re(e|nj zqt9`=Kd%7_44cizpfx}Vg>phlqVL%s_h#=8*+6uLhzhh4>gR-R8nCjrcXq;4Q&SgQ zP7zQJwFREh)H?^Fvp=sD7ePv$PHxo$@+OS+k%IL>82hjF`Tk>lycJWg{Q#JXiGiWK zo^MjJ1LA5#v?bv0VBG~lurCH=Brp*V$bVQ?Z`#0xS%37i#1lrk&H61TM|6$+@QzDO zjUBm%5x2pyvdVb$D1t`NBp-eQ34d;B>!3?tf`;q|8I@9MN@B~VXKoRLgPJu8O{a92PO!Xw{|BpJhqgDc!=B)SF4R8Szn1h^^q=YZ5sK{m&w1azh;7K?ptb?yA>nfkk+4!j`B%B38 z+QJ5_kV9NZz~d4UytMv1gjkk?5P}J|`hP=+CHJ`zRRpri7FRD%;j8plu1lA$r^#Y6 zk^Uu2=GOlXBM*cdzbpc&&%w#=kPQS3R#scmR-AAjLvyNiD`fxLulW|XyVYiu`?NGP z(QCPZ Date: Fri, 16 Feb 2024 15:16:25 +0100 Subject: [PATCH 64/71] (fix): just use random state that gives same number of categories --- scanpy/tests/test_clustering.py | 7 ++----- 1 file changed, 2 insertions(+), 5 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index e4dfe7f2fc..47a514b7fc 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -61,17 +61,14 @@ def test_leiden_random_state(adata_neighbors, flavor): adata_2 = sc.tl.leiden( adata_neighbors, flavor=flavor, - random_state=50, + random_state=2, copy=True, directed=is_leiden_alg, n_iterations=n_iterations, ) assert (adata_1.obs["leiden"] == adata_1_again.obs["leiden"]).all() # This random state produces different categories so can't check the arrays against each other. - assert ( - adata_2.obs["leiden"].cat.categories - != adata_1_again.obs["leiden"].cat.categories - ).any() + assert (adata_2.obs["leiden"] != adata_1_again.obs["leiden"]).any() @needs.igraph From 84dd615601af826759e3dcf330ba65fa7f8f428f Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Fri, 16 Feb 2024 15:19:33 +0100 Subject: [PATCH 65/71] (fix): use `np.random` instead of `random` module --- scanpy/_utils/__init__.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/scanpy/_utils/__init__.py b/scanpy/_utils/__init__.py index e8abaf2069..122344649c 100644 --- a/scanpy/_utils/__init__.py +++ b/scanpy/_utils/__init__.py @@ -492,10 +492,10 @@ def moving_average(a: np.ndarray, n: int): return ret[n - 1 :] / n -def get_random_state(seed: AnyRandom) -> random.RandomState: +def get_random_state(seed: AnyRandom) -> np.random.RandomState: if isinstance(seed, np.random.RandomState): return seed - return random.RandomState(seed) + return np.random.RandomState(seed) # -------------------------------------------------------------------------------- From d6b1dff4593f916e559bb5ee64ccdc220b8f65d4 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 19 Feb 2024 08:59:56 +0100 Subject: [PATCH 66/71] (chore): remove unnecessary comment in test about state --- scanpy/tests/test_clustering.py | 1 - 1 file changed, 1 deletion(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 47a514b7fc..b8877abb4a 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -67,7 +67,6 @@ def test_leiden_random_state(adata_neighbors, flavor): n_iterations=n_iterations, ) assert (adata_1.obs["leiden"] == adata_1_again.obs["leiden"]).all() - # This random state produces different categories so can't check the arrays against each other. assert (adata_2.obs["leiden"] != adata_1_again.obs["leiden"]).any() From 5e09532c4bd48ec9f1aa57d5e9aa49fb307d39b4 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 19 Feb 2024 15:15:15 +0100 Subject: [PATCH 67/71] (refactor): simplify conditions --- scanpy/tests/test_clustering.py | 18 +++++++++++ scanpy/tools/_leiden.py | 53 +++++++++++++++++++-------------- 2 files changed, 48 insertions(+), 23 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index b8877abb4a..4d2a2f20e9 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -1,5 +1,6 @@ from __future__ import annotations +import leidenalg import pytest from sklearn.metrics.cluster import normalized_mutual_info_score @@ -76,6 +77,23 @@ def test_leiden_igraph_directed(adata_neighbors): sc.tl.leiden(adata_neighbors, flavor="igraph") +@needs.igraph +def test_leiden_wrong_flavor(adata_neighbors): + with pytest.raises(ValueError): + sc.tl.leiden(adata_neighbors, flavor="foo") + + +@needs.igraph +@needs.leidenalg +def test_leiden_igraph_partition_type(adata_neighbors): + with pytest.raises(ValueError): + sc.tl.leiden( + adata_neighbors, + flavor="igraph", + partition_type=leidenalg.RBConfigurationVertexPartition, + ) + + @needs.leidenalg @needs.igraph def test_leiden_equal_defaults_same_args(adata_neighbors): diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index d020c12447..fdc55ce860 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -1,5 +1,6 @@ from __future__ import annotations +import importlib import warnings from typing import TYPE_CHECKING, Literal @@ -116,7 +117,25 @@ def leiden( A dict with the values for the parameters `resolution`, `random_state`, and `n_iterations`. """ - if flavor == "leidenalg": + if flavor not in {"igraph", "leidenalg"}: + raise ValueError( + f"flavor must be either 'igraph' or 'leidenalg', but '{flavor}' was passed" + ) + igraph_spec = importlib.util.find_spec("igraph") + if igraph_spec is None: + raise ImportError( + "Please install the igraph package: `conda install -c conda-forge igraph` or `pip3 install igraph`." + ) + if flavor == "igraph": + if directed: + raise ValueError( + "Cannot use igraph's leiden implemntation with a directed graph." + ) + if partition_type is not None: + raise ValueError( + "Do not pass in partition_type argument when using igraph." + ) + else: try: import leidenalg @@ -141,39 +160,27 @@ def leiden( restrict_categories=restrict_categories, adjacency=adjacency, ) - # convert it to igraph - if not flavor == "leidenalg" and directed: - raise ValueError( - "Cannot use igraph's leiden implemntation with a directed graph." - ) g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) - # flip to the default partition type if not overriden by the user - if partition_type is None and flavor == "leidenalg": - partition_type = leidenalg.RBConfigurationVertexPartition - elif not flavor == "leidenalg" and partition_type is not None: - raise ValueError("Do not pass in partition_type argument when using igraph.") # Prepare find_partition arguments as a dictionary, # appending to whatever the user provided. It needs to be this way # as this allows for the accounting of a None resolution # (in the case of a partition variant that doesn't take it on input) - if use_weights: - clustering_args["weights"] = ( - "weight" - if not flavor == "leidenalg" - else np.array(g.es["weight"]).astype(np.float64) - ) clustering_args["n_iterations"] = n_iterations - if flavor == "leidenalg": - clustering_args["seed"] = random_state if resolution is not None: clustering_args["resolution_parameter"] = resolution - # clustering proper - if not flavor == "leidenalg": + if flavor == "leidenalg": + if partition_type is None: + partition_type = leidenalg.RBConfigurationVertexPartition + if use_weights: + clustering_args["weights"] = np.array(g.es["weight"]).astype(np.float64) + clustering_args["seed"] = random_state + part = leidenalg.find_partition(g, partition_type, **clustering_args) + elif flavor == "igraph": + if use_weights: + clustering_args["weights"] = "weight" clustering_args.setdefault("objective_function", "modularity") with _utils.set_igraph_random_state(random_state): part = g.community_leiden(**clustering_args) - else: - part = leidenalg.find_partition(g, partition_type, **clustering_args) # store output into adata.obs groups = np.array(part.membership) if restrict_to is not None: From 579f0051171eeacd4f1c7216ef1951d68842bffe Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 19 Feb 2024 15:17:00 +0100 Subject: [PATCH 68/71] (refactor): `elif` -> `else` when `flavor` already checked --- scanpy/tools/_leiden.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index fdc55ce860..5532de337d 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -175,7 +175,7 @@ def leiden( clustering_args["weights"] = np.array(g.es["weight"]).astype(np.float64) clustering_args["seed"] = random_state part = leidenalg.find_partition(g, partition_type, **clustering_args) - elif flavor == "igraph": + else: if use_weights: clustering_args["weights"] = "weight" clustering_args.setdefault("objective_function", "modularity") From 1cefa199fcb5c5098b63b268deb2a198ab6d6d64 Mon Sep 17 00:00:00 2001 From: ilan-gold Date: Mon, 19 Feb 2024 15:24:03 +0100 Subject: [PATCH 69/71] (fix): move leiden import for test --- scanpy/tests/test_clustering.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 4d2a2f20e9..900441d4ce 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -1,6 +1,5 @@ from __future__ import annotations -import leidenalg import pytest from sklearn.metrics.cluster import normalized_mutual_info_score @@ -86,6 +85,8 @@ def test_leiden_wrong_flavor(adata_neighbors): @needs.igraph @needs.leidenalg def test_leiden_igraph_partition_type(adata_neighbors): + import leidenalg + with pytest.raises(ValueError): sc.tl.leiden( adata_neighbors, From 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zcJ{7LhU6-mQwbsI_KQwWPj7Z+qUqts^>yctWZ9EvNwC_76I4&f0hbKR9iKz;SnsR& z9!Z0qjFdat)DkeRX(M6vHSxbDCiVty37OGJ$OhVGX|yV?zFy(vB19=>OzrO7bMlA3 zPlL!&N+XOfFGr-LumbPjLZegr7ne))6im6Ww`%$I3Ikw{HbyJq0hKwxuWE{15=6@v z`E~2+1Ic;#`9;-p1_=bBy42g@5HCO$LIj`)&b1YO;CXzs1GcB2{|Z@Pv=EI)I-k|# z)YKhi Date: Mon, 19 Feb 2024 16:57:55 +0100 Subject: [PATCH 71/71] (chore): address comments --- scanpy/tests/test_clustering.py | 2 +- scanpy/tools/_leiden.py | 7 +++++-- 2 files changed, 6 insertions(+), 3 deletions(-) diff --git a/scanpy/tests/test_clustering.py b/scanpy/tests/test_clustering.py index 900441d4ce..d2005d9659 100644 --- a/scanpy/tests/test_clustering.py +++ b/scanpy/tests/test_clustering.py @@ -73,7 +73,7 @@ def test_leiden_random_state(adata_neighbors, flavor): @needs.igraph def test_leiden_igraph_directed(adata_neighbors): with pytest.raises(ValueError): - sc.tl.leiden(adata_neighbors, flavor="igraph") + sc.tl.leiden(adata_neighbors, flavor="igraph", directed=True) @needs.igraph diff --git a/scanpy/tools/_leiden.py b/scanpy/tools/_leiden.py index 5532de337d..5345e3567b 100644 --- a/scanpy/tools/_leiden.py +++ b/scanpy/tools/_leiden.py @@ -36,7 +36,7 @@ def leiden( random_state: _utils.AnyRandom = 0, key_added: str = "leiden", adjacency: sparse.spmatrix | None = None, - directed: bool = True, + directed: bool | None = None, use_weights: bool = True, n_iterations: int = -1, partition_type: type[MutableVertexPartition] | None = None, @@ -83,6 +83,7 @@ def leiden( How many iterations of the Leiden clustering algorithm to perform. Positive values above 2 define the total number of iterations to perform, -1 has the algorithm run until it reaches its optimal clustering. + 2 is faster and the default for underlying packages. partition_type Type of partition to use. Defaults to :class:`~leidenalg.RBConfigurationVertexPartition`. @@ -160,7 +161,6 @@ def leiden( restrict_categories=restrict_categories, adjacency=adjacency, ) - g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) # Prepare find_partition arguments as a dictionary, # appending to whatever the user provided. It needs to be this way # as this allows for the accounting of a None resolution @@ -169,6 +169,8 @@ def leiden( if resolution is not None: clustering_args["resolution_parameter"] = resolution if flavor == "leidenalg": + directed = True if directed is None else directed + g = _utils.get_igraph_from_adjacency(adjacency, directed=directed) if partition_type is None: partition_type = leidenalg.RBConfigurationVertexPartition if use_weights: @@ -176,6 +178,7 @@ def leiden( clustering_args["seed"] = random_state part = leidenalg.find_partition(g, partition_type, **clustering_args) else: + g = _utils.get_igraph_from_adjacency(adjacency, directed=False) if use_weights: clustering_args["weights"] = "weight" clustering_args.setdefault("objective_function", "modularity")