from pathlib import Path import tempfile import numpy as np import pytest from scipy.sparse import csr_matrix from datasets import Dataset from anndata import AnnData from scgpt.tokenizer import GeneVocab from scgpt.scbank import DataBank, DataTable, MetaInfo, Setting tmp_dir = tempfile.gettempdir() save_path = Path(tmp_dir) / "test_scGPT" save_path.mkdir(parents=True, exist_ok=True) def clear_files(directory: Path): """helper function to clear files in a dir""" for f in directory.iterdir(): f.unlink() def test_empty_databank(): db = DataBank() assert db.data_tables == {} assert db.settings == Setting() assert db.gene_vocab == None db = DataBank(meta_info=MetaInfo()) assert db.data_tables == {} assert db.gene_vocab == None db = DataBank( meta_info=MetaInfo(on_disk_path=save_path), settings=Setting(immediate_save=True), ) assert (save_path / "studytable.json").is_file() assert (save_path / "manifest.json").is_file() clear_files(save_path) def test_empty_datatable(): dt = DataTable(name="test") assert dt.name == "test" assert dt.data is None assert not dt.is_loaded def test_empty_metainfo(): mi = MetaInfo() assert mi.study_ids is None assert mi.cell_ids is None def test_save_load_metainfo(): mi = MetaInfo(save_path) mi.save() assert (save_path / "studytable.json").is_file() assert (save_path / "manifest.json").is_file() assert MetaInfo.from_path(save_path) == mi clear_files(save_path) def test_datatable_save(): dt = DataTable(name="test") file_path = save_path / "test.json" # make sure the path does not exist originally assert not file_path.exists() file_path.parent.mkdir(parents=True, exist_ok=True) # catch the exception if the data is not loaded with pytest.raises(ValueError): dt.save(file_path) # actually load some example data and test saving dt.data = Dataset.from_dict({"a": [1]}) dt.save(file_path) assert file_path.is_file() # delete the file file_path.unlink() assert not file_path.exists() def test_meta_info_on_disk_path(): mi = MetaInfo(on_disk_path=tmp_dir) assert mi.on_disk_path == Path(tmp_dir) assert mi.on_disk_format == "json" def test_add_gene_vocab(): db = DataBank() db.gene_vocab = GeneVocab.from_dict({"a": 0, "b": 1, "c": 2}) assert len(db.gene_vocab) == 3 assert db.gene_vocab["a"] == 0 assert "c" in db.gene_vocab with pytest.raises(ValueError): db.gene_vocab = ["a", "b", "c"] def test_databank_tokenize(): indptr = np.array([0, 2, 3, 6]) indices = np.array([0, 2, 2, 0, 1, 2]) data = np.array([1, 2, 3, 4, 5, 6]) data = csr_matrix((data, indices, indptr), shape=(3, 3)) # data is like: # [[1, 0, 2], # [0, 0, 3], # [4, 5, 6]] ind2ind = {0: 4, 2: 6} tokenized = DataBank()._tokenize(data, ind2ind) # tokenized is like: # {'id': [0, 1, 2], # 'genes': [[4, 6], [6], [4, 6]], # 'expressions': [[1, 2], [3], [4, 6]]} assert tokenized["id"] == [0, 1, 2] assert [d.tolist() for d in tokenized["genes"]] == [[4, 6], [6], [4, 6]] assert [d.tolist() for d in tokenized["expressions"]] == [[1, 2], [3], [4, 6]] # tokenize numpy array data = data.toarray() tokenized = DataBank()._tokenize(data, ind2ind) assert tokenized["id"] == [0, 1, 2] assert [d.tolist() for d in tokenized["genes"]] == [[4, 6], [6], [4, 6]] assert [d.tolist() for d in tokenized["expressions"]] == [[1, 2], [3], [4, 6]] # test array with rows and cols of only zeros data[:, 2] = 0 tokenized = DataBank()._tokenize(data, ind2ind) assert tokenized["id"] == [0, 1] assert [d.tolist() for d in tokenized["genes"]] == [[4], [4]] assert [d.tolist() for d in tokenized["expressions"]] == [[1], [4]] # test array w/ rare non-zero values (_tokenize will auto convert it to sparse) data = np.zeros((3, 3)) data[0, 0] = 1.0 tokenized = DataBank()._tokenize(data, ind2ind) assert tokenized["id"] == [0] assert [d.tolist() for d in tokenized["genes"]] == [[4]] assert [d.tolist() for d in tokenized["expressions"]] == [[1.0]] # add the test for recursive batch calls def test_databank_load_anndata(): adata = AnnData( X=np.array([[1.0, 2.0, 3.0], [4.0, 0.0, 6.0]]), obs={"cell": ["cell1", "cell2"], "study": ["study1", "study2"]}, var={"gene": ["gene_a", "gene_b", "gene_c"]}, ) gene_vocab = {"gene_a": 1, "gene_b": 0, "gene_c": 2} # test factory initialization from data db = DataBank.from_anndata( adata, gene_vocab, to=save_path, main_table_key="X", token_col="gene", ) assert db.main_table_key == "X" converted_dataset = db.data_tables["X"].data assert converted_dataset["id"] == [0, 1] assert converted_dataset["genes"] == [[1, 0, 2], [1, 2]] assert converted_dataset["expressions"] == [[1.0, 2.0, 3.0], [4.0, 6.0]] assert (save_path / "X.datatable.json").is_file() assert (save_path / "studytable.json").is_file() assert (save_path / "manifest.json").is_file() assert (save_path / "gene_vocab.json").is_file() # test factory initialization from path db = DataBank.from_path(save_path) assert db.main_table_key == "X" main_dataset = db.data_tables["X"].data assert main_dataset["id"] == [0, 1] assert main_dataset["genes"] == [[1, 0, 2], [1, 2]] assert main_dataset["expressions"] == [[1.0, 2.0, 3.0], [4.0, 6.0]] clear_files(save_path) # test loading from anndata db = DataBank( meta_info=MetaInfo(on_disk_format=save_path), gene_vocab=GeneVocab.from_dict(gene_vocab), ) data_tables = db.load_anndata(adata, data_keys=["X"], token_col="gene") assert len(data_tables) == 1 converted_dataset = data_tables[0].data assert converted_dataset["id"] == [0, 1] assert converted_dataset["genes"] == [[1, 0, 2], [1, 2]] assert converted_dataset["expressions"] == [[1.0, 2.0, 3.0], [4.0, 6.0]] def test_databank_load_multiple_anndata_layers(): adata = AnnData( X=np.array([[1.0, 2.0, 3.0], [4.0, 0.0, 6.0]]), obs={"cell": ["cell1", "cell2"], "study": ["study1", "study2"]}, var={"gene": ["gene_a", "gene_b", "gene_c"]}, layers={"layer1": np.array([[1.0, 2.0, 3.0], [4.0, 0.0, 6.0]])}, ) gene_vocab = {"gene_a": 1, "gene_b": 0, "gene_c": 2} db = DataBank(meta_info=MetaInfo(), gene_vocab=GeneVocab.from_dict(gene_vocab)) data_tables = db.load_anndata(adata, token_col="gene") assert len(data_tables) == 2 assert data_tables[0].name == "X" assert data_tables[1].name == "layer1" converted_dataset = data_tables[0].data assert converted_dataset["id"] == [0, 1] assert converted_dataset["genes"] == [[1, 0, 2], [1, 2]] assert converted_dataset["expressions"] == [[1.0, 2.0, 3.0], [4.0, 6.0]] converted_dataset = data_tables[1].data assert converted_dataset["id"] == [0, 1] assert converted_dataset["genes"] == [[1, 0, 2], [1, 2]] assert converted_dataset["expressions"] == [[1.0, 2.0, 3.0], [4.0, 6.0]]