Mercurial > repos > galaxyp > openms_spectrafilternlargest
view get_tests.py @ 14:503e18eb2596 draft default tip
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 5c080b1e2b99f1c88f4557e9fec8c45c9d23b906
author | galaxyp |
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date | Fri, 14 Jun 2024 21:44:06 +0000 |
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#!/usr/bin/env python import argparse import os.path import re import shlex import sys import tempfile from typing import ( Dict, List, Optional, TextIO, Tuple, ) from ctdconverter.common.utils import ( ParameterHardcoder, parse_hardcoded_parameters, parse_input_ctds, ) from ctdconverter.galaxy.converter import convert_models from CTDopts.CTDopts import ( CTDModel, ModelTypeError, Parameters, ) SKIP_LIST = [ r"_prepare\"", r"_convert", r"WRITEINI", r"WRITECTD", r"INVALIDVALUE", r"\.ini\.json", r"OpenSwathMzMLFileCacher .*-convert_back", # - OpenSwathMzMLFileCacher with -convert_back argument https://github.com/OpenMS/OpenMS/issues/4399 r"MaRaClusterAdapter.*-consensus_out", # - MaRaCluster with -consensus_out (parameter blacklister: https://github.com/OpenMS/OpenMS/issues/4456) r"FileMerger_1_input1.dta2d.*FileMerger_1_input2.dta ", # - FileMerger with mixed dta dta2d input (ftype can not be specified in the test, dta can not be sniffed) r'^(TOPP_OpenSwathAnalyzer_test_3|TOPP_OpenSwathAnalyzer_test_4)$', # no suppert for cached mzML r'TOPP_SiriusAdapter_[0-9]+$', # Do not test SiriusAdapter https://github.com/OpenMS/OpenMS/issues/7000 .. will be removed anyway r'TOPP_AssayGeneratorMetabo_(7|8|9|10|11|12|13|14|15|16|17|18)$' # Skip AssayGeneratorMetabo tests using Sirius https://github.com/OpenMS/OpenMS/issues/7150 (will be replaced by two tools) ] def get_failing_tests(cmake: List[str]) -> List[str]: failing_tests = [] re_fail = re.compile(r"set_tests_properties\(\"([^\"]+)\" PROPERTIES WILL_FAIL 1\)") for cmake in args.cmake: with open(cmake) as cmake_fh: for line in cmake_fh: match = re_fail.search(line) if match: failing_tests.append(match.group(1)) return failing_tests def fix_tmp_files(line: str, diff_pairs: Dict[str, str]) -> str: """ OpenMS tests output to tmp files and compare with FuzzyDiff to the expected file. problem: the extension of the tmp files is unusable for test generation. unfortunately the extensions used in the DIFF lines are not always usable for the CLI (e.g. for prepare_test_data, e.g. CLI expects csv but test file is txt) this function replaces the tmp file by the expected file. """ cmd = shlex.split(line) for i, e in enumerate(cmd): if e in diff_pairs: dst = os.path.join("test-data", diff_pairs[e]) if os.path.exists(dst): os.unlink(dst) sys.stderr.write(f"symlink {e} {dst}\n") os.symlink(e, dst) cmd[i] = diff_pairs[e] return shlex.join(cmd) def get_ini(line: str, tool_id: str) -> Tuple[str, str]: """ if there is an ini file then we use this to generate the test otherwise the ctd file is used other command line parameters are inserted later into this xml """ cmd = shlex.split(line) ini = None for i, e in enumerate(cmd): if e == "-ini": ini = cmd[i + 1] cmd = cmd[:i] + cmd[i + 2:] if ini: return os.path.join("test-data", ini), shlex.join(cmd) else: return os.path.join("ctd", f"{tool_id}.ctd"), line def unique_files(line: str): """ some tests use the same file twice which does not work in planemo tests hence we create symlinks for each file used twice """ cmd = shlex.split(line) # print(f"{cmd}") files = {} # determine the list of indexes where each file argument (anything appearing in test-data/) appears for idx, e in enumerate(cmd): p = os.path.join("test-data", e) if not os.path.exists(p) and not os.path.islink(p): continue try: files[e].append(idx) except KeyError: files[e] = [idx] # print(f"{files=}") for f in files: if len(files[f]) < 2: continue for i, idx in enumerate(files[f]): f_parts = f.split(".") f_parts[0] = f"{f_parts[0]}_{i}" new_f = ".".join(f_parts) # if os.path.exists(os.path.join("test-data", new_f)): # os.unlink(os.path.join("test-data", new_f)) sys.stderr.write( f'\tsymlink {os.path.join("test-data", new_f)} {f}\n' ) try: os.symlink(f, os.path.join("test-data", new_f)) except FileExistsError: pass cmd[idx] = new_f return shlex.join(cmd) def fill_ctd_clargs(ini: str, line: str, ctd_tmp: TextIO) -> None: cmd = shlex.split(line) # load CTDModel ini_model = None try: ini_model = CTDModel(from_file=ini) except ModelTypeError: pass try: ini_model = Parameters(from_file=ini) except ModelTypeError: pass assert ini_model is not None, "Could not parse %s, seems to be no CTD/PARAMS" % ( args.ini_file ) # get a dictionary of the ctd arguments where the values of the parameters # given on the command line are overwritten ini_values = ini_model.parse_cl_args(cl_args=cmd, ignore_required=True) ini_model.write_ctd(ctd_tmp, ini_values) def process_test_line( id: str, line: str, failing_tests: List[str], skip_list: List[str], diff_pairs: Dict[str, str], ) -> Optional[str]: re_test_id = re.compile(r"add_test\(\"([^\"]+)\" ([^ ]+) (.*)") re_id_out_test = re.compile(r"_out_?[0-9]?") # TODO auto extract from set(OLD_OSW_PARAM ... lin line = line.replace( "${OLD_OSW_PARAM}", " -test -mz_extraction_window 0.05 -mz_extraction_window_unit Th -ms1_isotopes 0 -Scoring:TransitionGroupPicker:compute_peak_quality -Scoring:Scores:use_ms1_mi false -Scoring:Scores:use_mi_score false", ) line = line.replace("${TOPP_BIN_PATH}/", "") line = line.replace("${DATA_DIR_TOPP}/", "") line = line.replace("THIRDPARTY/", "") line = line.replace("${DATA_DIR_SHARE}/", "") # IDRipper PATH gets empty causing problems. TODO But overall the option needs to be handled differently line = line.replace("${TMP_RIP_PATH}/", "") # some input files are originally in a subdir (degenerated cases/), but not in test-data line = line.replace("degenerate_cases/", "") # determine the test and tool ids and remove the 1) add_test("TESTID" 2) trailing ) match = re_test_id.match(line) if not match: sys.exit(f"Ill formated test line {line}\n") test_id = match.group(1) tool_id = match.group(2) line = f"{match.group(2)} {match.group(3)}" if test_id in failing_tests: sys.stderr.write(f" skip failing {test_id} {line}\n") return if id != tool_id: sys.stderr.write(f" skip {test_id} ({id} != {tool_id}) {line}\n") return if re_id_out_test.search(test_id): sys.stderr.write(f" skip {test_id} {line}\n") return for skip in skip_list: if re.search(skip, line): return if re.search(skip, test_id): return line = fix_tmp_files(line, diff_pairs) # print(f"fix {line=}") line = unique_files(line) # print(f"unq {line=}") ini, line = get_ini(line, tool_id) from dataclasses import dataclass, field @dataclass class CTDConverterArgs: input_files: list output_destination: str default_executable_path: Optional[str] = None hardcoded_parameters: Optional[str] = None parameter_hardcoder: Optional[ParameterHardcoder] = None xsd_location: Optional[str] = None formats_file: Optional[str] = None add_to_command_line: str = "" required_tools_file: Optional[str] = None skip_tools_file: Optional[str] = None macros_files: Optional[List[str]] = field(default_factory=list) test_macros_files: Optional[List[str]] = field(default_factory=list) test_macros_prefix: Optional[List[str]] = field(default_factory=list) test_test: bool = False test_only: bool = False test_unsniffable: Optional[List[str]] = field(default_factory=list) test_condition: Optional[List[str]] = ("compare=sim_size", "delta_frac=0.05") tool_version: str = None tool_profile: str = None bump_file: str = None # create an ini/ctd file where the values are equal to the arguments from the command line # and transform it to xml test = [f"<!-- {test_id} -->\n"] with tempfile.NamedTemporaryFile( mode="w+", delete_on_close=False ) as ctd_tmp, tempfile.NamedTemporaryFile( mode="w+", delete_on_close=False ) as xml_tmp: fill_ctd_clargs(ini, line, ctd_tmp) ctd_tmp.close() xml_tmp.close() parsed_ctd = parse_input_ctds(None, [ctd_tmp.name], xml_tmp.name, "xml") ctd_args = CTDConverterArgs( input_files=[ctd_tmp.name], output_destination=xml_tmp.name, macros_files=["macros.xml"], skip_tools_file="aux/tools_blacklist.txt", formats_file="aux/filetypes.txt", # tool_conf_destination = "tool.conf", hardcoded_parameters="aux/hardcoded_params.json", tool_version="3.1", test_only=True, test_unsniffable=[ "csv", "tsv", "txt", "dta", "dta2d", "edta", "mrm", "splib", ], test_condition=["compare=sim_size", "delta_frac=0.7"], ) ctd_args.parameter_hardcoder = parse_hardcoded_parameters( ctd_args.hardcoded_parameters ) convert_models(ctd_args, parsed_ctd) xml_tmp = open(xml_tmp.name, "r") for l in xml_tmp: test.append(l) return "".join(test) parser = argparse.ArgumentParser(description="Create Galaxy tests for a OpenMS tools") parser.add_argument("--id", dest="id", help="tool id") parser.add_argument("--cmake", nargs="+", help="OpenMS test CMake files") args = parser.parse_args() sys.stderr.write(f"generate tests for {args.id}\n") re_comment = re.compile("#.*") re_empty_prefix = re.compile(r"^\s*") re_empty_suffix = re.compile(r"\s*$") re_add_test = re.compile(r"add_test\(\"(TOPP|UTILS)_.*/" + args.id) re_diff = re.compile(r"\$\{DIFF\}.* -in1 ([^ ]+) -in2 ([^ ]+)") failing_tests = get_failing_tests(args.cmake) tests = [] # process the given CMake files and compile lists of # - test lines .. essentially add_test(...) # - and pairs of files that are diffed jline = "" test_lines = [] diff_pairs = {} for cmake in args.cmake: with open(cmake) as cmake_fh: for line in cmake_fh: # remove comments, empty prefixes and suffixes line = re_comment.sub("", line) line = re_empty_prefix.sub("", line) line = re_empty_suffix.sub("", line) # skip empty lines if line == "": continue # join test statements that are split over multiple lines if line.endswith(")"): jline += " " + line[:-1] else: jline = line continue line, jline = jline.strip(), "" match = re_diff.search(line) if match: in1 = match.group(1).split("/")[-1] in2 = match.group(2).split("/")[-1] if in1 != in2: diff_pairs[in1] = in2 elif re_add_test.match(line): test_lines.append(line) for line in test_lines: test = process_test_line(args.id, line, failing_tests, SKIP_LIST, diff_pairs) if test: tests.append(test) tests = "\n".join(tests) print( f""" <xml name="autotest_{args.id}"> {tests} </xml> """ )