diff --git a/requirements.txt b/requirements.txt index 850f2c6..8b04862 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,9 +1,13 @@ anndata>=0.7.6 scanpy>=1.7.2 POT==0.9.0 -numpy -scipy +numpy~=1.24.4 +scipy~=1.10.1 scikit-learn>=0.24.0 IPython>=7.18.1 -pytest - +pytest~=8.3.2 +seaborn~=0.13.2 +matplotlib~=3.7.5 +pandas~=2.0.3 +statsmodels~=0.14.1 +networkx~=3.1 \ No newline at end of file diff --git a/src/paste/PASTE.py b/src/paste/PASTE.py index cfafb65..8ee73fb 100644 --- a/src/paste/PASTE.py +++ b/src/paste/PASTE.py @@ -3,7 +3,7 @@ from anndata import AnnData import ot from sklearn.decomposition import NMF -from .helper import intersect, kl_divergence_backend, to_dense_array, extract_data_matrix +from paste.helper import intersect, kl_divergence_backend, to_dense_array, extract_data_matrix def pairwise_align( sliceA: AnnData, diff --git a/src/paste/__init__.py b/src/paste/__init__.py index 0face8a..e69de29 100644 --- a/src/paste/__init__.py +++ b/src/paste/__init__.py @@ -1,3 +0,0 @@ -from .PASTE import pairwise_align, center_align, center_ot, center_NMF, my_fused_gromov_wasserstein, solve_gromov_linesearch -from .helper import match_spots_using_spatial_heuristic, filter_for_common_genes, apply_trsf, intersect,extract_data_matrix, to_dense_array, kl_divergence_backend -from .visualization import plot_slice, stack_slices_pairwise, stack_slices_center \ No newline at end of file diff --git a/src/paste/paste-cmd-line.py b/src/paste/paste-cmd-line.py index 74a7f73..4242292 100644 --- a/src/paste/paste-cmd-line.py +++ b/src/paste/paste-cmd-line.py @@ -4,7 +4,8 @@ import pandas as pd import argparse import os -from src.paste import pairwise_align, center_align, stack_slices_pairwise, stack_slices_center +from paste.PASTE import pairwise_align, center_align +from paste.visualization import stack_slices_pairwise, stack_slices_center def main(args): # print(args) @@ -56,7 +57,7 @@ def main(args): pis_init = [pd.read_csv(args.start[i],index_col=0).to_numpy() for i in range(len(args.start))] # create output folder - output_path = os.path.join(args.direc, "../../paste_output") + output_path = os.path.join(args.direc, "paste_output") if not os.path.exists(output_path): os.mkdir(output_path) @@ -82,8 +83,8 @@ def main(args): center_slice, pis = center_align(initial_slice, slices, lmbda, args.alpha, args.n_components, args.threshold, dissimilarity=args.cost, distributions=[slices[i].obsm['weights'] for i in range(n_slices)], pis_init=pis_init) W = pd.DataFrame(center_slice.uns['paste_W'], index = center_slice.obs.index) H = pd.DataFrame(center_slice.uns['paste_H'], columns = center_slice.var.index) - W.to_csv(os.path.join(args.direc, "../../paste_output/W_center")) - H.to_csv(os.path.join(args.direc, "../../paste_output/H_center")) + W.to_csv(os.path.join(args.direc, "paste_output/W_center")) + H.to_csv(os.path.join(args.direc, "paste_output/H_center")) for i in range(len(pis)): output_filename = "paste_output/slice_center_slice" + str(i+1) + "_pairwise.csv" pi = pd.DataFrame(pis[i], index = center_slice.obs.index, columns = slices[i].obs.index) diff --git a/tests/conftest.py b/tests/conftest.py index 19a18d6..5ab2388 100644 --- a/tests/conftest.py +++ b/tests/conftest.py @@ -2,7 +2,7 @@ import numpy as np import scanpy as sc import pytest -from src.paste import intersect +from paste.helper import intersect test_dir = Path(__file__).parent input_dir = test_dir / "data/input" @@ -27,6 +27,9 @@ def slices(): @pytest.fixture(scope="session") def intersecting_slices(slices): + # Make a copy of the list + slices = list(slices) + common_genes = slices[0].var.index for slice in slices[1:]: common_genes = intersect(common_genes, slice.var.index) diff --git a/tests/data/output/common_genes.csv b/tests/data/output/common_genes.csv new file mode 100644 index 0000000..1d1c12c --- /dev/null +++ b/tests/data/output/common_genes.csv @@ -0,0 +1,6886 @@ +GAPDH +USP4 +MAPKAPK2 +MCL1 +TMEM109 +TMEM189 +ITPK1 +UBXN11 +SCARB1 +USP28 +NUDT21 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diff --git a/tests/test_paste.py b/tests/test_paste.py index d861458..053141c 100644 --- a/tests/test_paste.py +++ b/tests/test_paste.py @@ -7,8 +7,9 @@ import pandas as pd import tempfile -from paste import pairwise_align, center_align from paste.PASTE import ( + pairwise_align, + center_align, center_ot, intersect, center_NMF, @@ -59,6 +60,8 @@ def test_pairwise_alignment(slices): def test_center_alignment(slices): temp_dir = Path(tempfile.mkdtemp()) + # Make a copy of the list + slices = list(slices) n_slices = len(slices) center_slice, pairwise_info = center_align( slices[0], @@ -254,4 +257,4 @@ def test_gromov_linesearch(slices): ) assert alpha == 1.0 assert fc == 1 - assert round(cost_G,6) == -11.419226 + assert round(cost_G, 5) == -11.20545 diff --git a/tests/test_paste_helpers.py b/tests/test_paste_helpers.py new file mode 100644 index 0000000..b700f7c --- /dev/null +++ b/tests/test_paste_helpers.py @@ -0,0 +1,44 @@ +from pathlib import Path +import numpy as np +import ot.backend +import pandas as pd +from pandas.testing import assert_frame_equal +from paste.helper import ( + intersect, + kl_divergence_backend, + to_dense_array, + extract_data_matrix, +) + +test_dir = Path(__file__).parent +input_dir = test_dir / "data/input" +output_dir = test_dir / "data/output" + + +def test_intersect(slices): + common_genes = intersect(slices[1].var.index, slices[2].var.index) + assert np.all( + np.equal( + common_genes, np.genfromtxt(output_dir / "common_genes.csv", dtype=str) + ) + ) + + +def test_kl_divergence_backend(slices): + nx = ot.backend.NumpyBackend() + + common_genes = intersect(slices[1].var.index, slices[2].var.index) + sliceA = slices[1][:, common_genes] + sliceB = slices[2][:, common_genes] + + slice1_X = nx.from_numpy(to_dense_array(extract_data_matrix(sliceA, None))) + slice2_X = nx.from_numpy(to_dense_array(extract_data_matrix(sliceB, None))) + + kl_divergence_matrix = kl_divergence_backend(slice1_X + 0.01, slice2_X + 0.01) + assert_frame_equal( + pd.DataFrame(kl_divergence_matrix, columns=[str(i) for i in range(264)]), + pd.read_csv(output_dir / "kl_divergence_matrix.csv"), + check_names=False, + check_dtype=False, + rtol=1e-04, + )