import os import shutil from typing import Literal import numpy as np import pytest from cell_eval import MetricsEvaluator from cell_eval.data import ( CONTROL_VAR, PERT_COL, build_random_anndata, downsample_cells, ) OUTDIR = "TEST_OUTPUT_DIRECTORY" KNOWN_PROFILES: list[Literal["full", "vcc", "minimal", "de", "anndata"]] = [ "full", "vcc", "minimal", "de", "anndata", ] def test_broken_adata_mismatched_var_size(): adata_real = build_random_anndata(normlog=False) adata_pred = adata_real.copy() # Randomly subset genes on pred var_mask = np.random.random(adata_real.shape[1]) < 0.8 adata_pred = adata_pred[:, var_mask] with pytest.raises(Exception): MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) def test_broken_adata_mismatched_var_ordering(): adata_real = build_random_anndata(normlog=False) adata_pred = adata_real.copy() # Randomly subset genes on pred indices = np.arange(adata_real.shape[1]) np.random.shuffle(indices) adata_pred = adata_pred[:, indices] with pytest.raises(Exception): MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) def test_broken_adata_not_normlog(): adata_real = build_random_anndata(normlog=False) adata_pred = adata_real.copy() evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) evaluator.compute( break_on_error=True, ) def test_broken_adata_not_normlog_skip_check(): adata_real = build_random_anndata(normlog=False) adata_pred = adata_real.copy() evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, allow_discrete=True, ) evaluator.compute( break_on_error=True, ) def test_broken_adata_invalid_pred_scale(): """Test that predicted data with invalid scale is rejected.""" adata_real = build_random_anndata(normlog=True) adata_pred = adata_real.copy() # Create invalid predicted data: mix of raw counts and log1p adata_pred.X = np.random.uniform( 0, 5000, size=adata_pred.X.shape, # type: ignore ) with pytest.raises(ValueError, match="Invalid scale.*exceeds log1p threshold"): MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) def test_broken_adata_missing_pertcol_in_real(): adata_real = build_random_anndata() adata_pred = adata_real.copy() # Remove pert_col from adata_real adata_real.obs.drop(columns=[PERT_COL], inplace=True) with pytest.raises(Exception): MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) def test_broken_adata_missing_pertcol_in_pred(): adata_real = build_random_anndata() adata_pred = adata_real.copy() # Remove pert_col from adata_pred adata_pred.obs.drop(columns=[PERT_COL], inplace=True) with pytest.raises(Exception): MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) def test_broken_adata_missing_control_in_real(): adata_real = build_random_anndata() adata_pred = adata_real.copy() # Remove control_pert from adata_real adata_real = adata_real[adata_real.obs[PERT_COL] != CONTROL_VAR].copy() with pytest.raises(Exception): MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) def test_broken_adata_missing_control_in_pred(): adata_real = build_random_anndata() adata_pred = adata_real.copy() # Remove control_pert from adata_pred adata_pred = adata_pred[adata_pred.obs[PERT_COL] != CONTROL_VAR].copy() with pytest.raises(Exception): MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) def test_unknown_alternative_de_metric(): adata_real = build_random_anndata() adata_pred = adata_real.copy() # Remove control_pert from adata_pred adata_pred = adata_pred[adata_pred.obs[PERT_COL] != CONTROL_VAR].copy() with pytest.raises(Exception): MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, de_method="unknown", ).compute() def test_eval_simple(): adata_real = build_random_anndata() adata_pred = downsample_cells(adata_real, fraction=0.5) evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert="control", pert_col="perturbation", ) evaluator.compute( break_on_error=True, ) def test_eval_simple_profiles(): adata_real = build_random_anndata() adata_pred = downsample_cells(adata_real, fraction=0.5) evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert="control", pert_col="perturbation", ) for profile in KNOWN_PROFILES: evaluator.compute( profile=profile, break_on_error=True, ) with pytest.raises(ValueError): evaluator.compute( profile="unknown", # type: ignore break_on_error=True, ) def test_eval_missing_celltype_col(): adata_real = build_random_anndata() adata_pred = downsample_cells(adata_real, fraction=0.5) adata_real.obs.drop(columns="celltype", inplace=True) adata_pred.obs.drop(columns="celltype", inplace=True) assert "celltype" not in adata_real.obs.columns assert "celltype" not in adata_pred.obs.columns evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert="control", pert_col="perturbation", ) evaluator.compute( break_on_error=True, ) def test_eval_pdex_kwargs(): adata_real = build_random_anndata() adata_pred = downsample_cells(adata_real, fraction=0.5) evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert="control", pert_col="perturbation", pdex_kwargs={ "exp_post_agg": True, }, ) evaluator.compute( break_on_error=True, ) def test_eval_pdex_kwargs_duplicated(): adata_real = build_random_anndata() adata_pred = downsample_cells(adata_real, fraction=0.5) evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert="control", pert_col="perturbation", pdex_kwargs={ "exp_post_agg": True, "num_workers": 4, }, ) evaluator.compute( break_on_error=True, ) def validate_expected_files( outdir: str, prefix: str | None = None, remove: bool = True ): base_real_de = "real_de.csv" if not prefix else f"{prefix}_real_de.csv" base_pred_de = "pred_de.csv" if not prefix else f"{prefix}_pred_de.csv" base_results = "results.csv" if not prefix else f"{prefix}_results.csv" assert os.path.exists(f"{outdir}/{base_real_de}"), ( "Expected file for real DE results missing" ) assert os.path.exists(f"{outdir}/{base_pred_de}"), ( "Expected file for predicted DE results missing" ) assert os.path.exists(f"{outdir}/{base_results}"), ( "Expected file for results missing" ) if remove: shutil.rmtree(outdir) def test_eval(): adata_real = build_random_anndata() adata_pred = adata_real.copy() evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) evaluator.compute( break_on_error=True, ) validate_expected_files(OUTDIR) def test_eval_prefix(): adata_real = build_random_anndata() adata_pred = adata_real.copy() evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, prefix="arbitrary", ) evaluator.compute( break_on_error=True, ) validate_expected_files(OUTDIR, prefix="arbitrary") def test_minimal_eval(): adata_real = build_random_anndata() adata_pred = adata_real.copy() evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) evaluator.compute( profile="minimal", break_on_error=True, ) validate_expected_files(OUTDIR) def test_eval_sparse(): adata_real = build_random_anndata(as_sparse=True) adata_pred = adata_real.copy() evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) evaluator.compute( break_on_error=True, ) validate_expected_files(OUTDIR) def test_eval_downsampled_cells(): adata_real = build_random_anndata() adata_pred = downsample_cells(adata_real, fraction=0.5) evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, ) evaluator.compute( break_on_error=True, ) validate_expected_files(OUTDIR) def test_eval_alt_metric(): adata_real = build_random_anndata() adata_pred = downsample_cells(adata_real, fraction=0.5) evaluator = MetricsEvaluator( adata_pred=adata_pred, adata_real=adata_real, control_pert=CONTROL_VAR, pert_col=PERT_COL, outdir=OUTDIR, de_method="anderson", ) evaluator.compute( break_on_error=True, ) validate_expected_files(OUTDIR)