"""Test haddock3-analyse client.""" import os import shutil from pathlib import Path import tempfile import pytest from haddock.clis.cli_analyse import ( get_cluster_ranking, get_top_ranked_mapping, main, update_capri_dict, zip_top_ranked, ) from haddock.gear.yaml2cfg import read_from_yaml_config from haddock.modules.analysis.caprieval import \ DEFAULT_CONFIG as caprieval_params from . import golden_data @pytest.fixture def default_capri(): """Prot-prot input.""" return read_from_yaml_config(caprieval_params) @pytest.fixture def example_capri_clt(): """Provide example capri_clt.tsv filename.""" return Path(golden_data, "capri_clt_example.tsv") @pytest.fixture def example_capri_ss(): """Provide example capri_ss.tsv filename.""" return Path(golden_data, "capri_ss_example.tsv") def test_update_capri_dict(default_capri): """Test update_capri_dict.""" ext_params = {"reference_fname": "example.pdb"} wrong_ext_params = {"wrong_parameter_name": 32} obs_capri_dict = update_capri_dict(default_capri, ext_params) assert obs_capri_dict["reference_fname"].name == "example.pdb" # when an invalid parameter is provided, it should exit with pytest.raises(SystemExit): update_capri_dict(default_capri, wrong_ext_params) def test_get_cluster_ranking(example_capri_clt): """Test get_cluster_ranking.""" obs_cl_ranking = get_cluster_ranking(example_capri_clt, 5) exp_cl_ranking = { 16: 1, 1: 2, 13: 3, 4: 4, 5: 5, } assert exp_cl_ranking == obs_cl_ranking def test_main(example_capri_ss, example_capri_clt, monkeypatch): """Test cli_analyse main.""" with tempfile.TemporaryDirectory() as tmpdir: monkeypatch.chdir(tmpdir) # build fake run_dir run_dir = "example_dir" if os.path.isdir(run_dir): shutil.rmtree(run_dir) step_name = "2_caprieval" step_dir = Path(run_dir, step_name) os.mkdir(run_dir) os.mkdir(step_dir) shutil.copy(example_capri_ss, Path(step_dir, "capri_ss.tsv")) shutil.copy(example_capri_clt, Path(step_dir, "capri_clt.tsv")) # run haddock3-analyse main( run_dir, [2], 5, format=None, scale=None, is_cleaned=False, inter=False, ) # check analysis directory exists ana_dir = Path(run_dir, "analysis/") assert os.path.isdir(ana_dir) is True # check whether there are some html files ana_subdir = Path(ana_dir, f"{step_name}_analysis") html_files = [el for el in os.listdir(ana_subdir) if el.endswith(".html")] assert len(html_files) > 0 def test_zip_top_ranked(example_capri_ss, monkeypatch): """Test cli_analyse zip_top_ranked function.""" with tempfile.TemporaryDirectory() as tmpdir: monkeypatch.chdir(tmpdir) # build fake run_dir rigid_dir = "1_rigidbody" rigid_dir_analysis = "1_rigidbody_analysis" os.mkdir(rigid_dir) os.mkdir(rigid_dir_analysis) # fill rigidbody directory with one file shutil.copy(Path(golden_data, "protprot_complex_1.pdb"), Path(rigid_dir, "rigidbody_383.pdb")) monkeypatch.chdir(rigid_dir_analysis) exp_cl_ranking = {1: 2} top_ranked_mapping = get_top_ranked_mapping( example_capri_ss, exp_cl_ranking, ) # Archive version zip_top_ranked(top_ranked_mapping, "summary", True) assert os.path.isfile("summary.tgz") is True # Non-Archived version zip_top_ranked(top_ranked_mapping, "notarchived", False) assert not os.path.isfile("notarchived.tgz") assert os.path.isdir("notarchived") assert len(list(Path("notarchived").glob("*.pdb"))) > 0 def test_main_offline(example_capri_ss, example_capri_clt, tmp_path): """Test cli_analyse main in offline mode.""" # build fake run_dir run_dir = tmp_path / "example_dir" if os.path.isdir(run_dir): shutil.rmtree(run_dir) step_name = "2_caprieval" step_dir = run_dir / step_name os.mkdir(run_dir) os.mkdir(step_dir) shutil.copy(example_capri_ss, step_dir / "capri_ss.tsv") shutil.copy(example_capri_clt, step_dir / "capri_clt.tsv") # run haddock3-analyse main( run_dir, [2], 5, format=None, scale=None, is_cleaned=False, inter=False, offline=True, ) # check analysis directory exists ana_dir = run_dir / "analysis/" assert ana_dir.is_dir() # check whether there are js and css files assert (run_dir / "data/ui/report.bundle.js").is_file() assert (run_dir / "data/ui/index.css").is_file() assert (ana_dir / "2_caprieval_analysis/plotly_bundle.js").is_file()