Handle unavailable GNPS service

src/nplinker/metabolomics/gnps/gnps_format.py

@@ -63,31 +63,34 @@ def gnps_format_from_file_mapping(file: str | PathLike, has_quant_table: bool) -
 
 
 def gnps_format_from_task_id(task_id: str) -> GNPSFormat:
-    """Detect the GNPS format for the given task id
+    """Detect the GNPS format for the given task id.
+
+    The http request has a timeout of 5 seconds. If the request fails,
+    an ReadTimeout exception is raised. This is to prevent the program
+    from hanging indefinitely when the GNPS server is down.
 
     Args:
         task_id(str): GNPS task id.
 
     Returns:
         GNPSFormat: the format used in the GNPS workflow invocation.
 
-    Examples: 
+    Examples:
         >>> gnps_format_from_task_id("92036537c21b44c29e509291e53f6382")
     """
-    task_html = requests.get(GNPS_TASK_URL.format(task_id))        
-    soup = BeautifulSoup(task_html.text)
+    task_html = requests.get(GNPS_TASK_URL.format(task_id), timeout=5)
+    soup = BeautifulSoup(task_html.text, features="html.parser")
     tags = soup.find_all('th')
     workflow_tag: Tag = list(filter(lambda x: x.contents == ['Workflow'], tags))[0]
     workflow_format_tag: Tag = workflow_tag.parent.contents[3]
     workflow_format = workflow_format_tag.contents[0].strip()
 
     if workflow_format == "FEATURE-BASED-MOLECULAR-NETWORKING":
         return GNPSFormat.FBMN
-    elif workflow_format == "METABOLOMICS-SNETS":
+    if workflow_format == "METABOLOMICS-SNETS":
         return GNPSFormat.AllFiles
-    else:
-        return GNPSFormat.Unknown
-
+    return GNPSFormat.Unknown
+
 
 def gnps_format_from_archive(archive: zipfile.ZipFile) -> GNPSFormat:
     """Detect GNPS format from a downloaded archive.
@@ -106,4 +109,4 @@ def gnps_format_from_archive(archive: zipfile.ZipFile) -> GNPSFormat:
         return GNPSFormat.FBMN
     elif any(["METABOLOMICS-SNETS" in x for x in filenames]):
         return GNPSFormat.AllFiles
-    return GNPSFormat.Unknown
+    return GNPSFormat.Unknown

src/nplinker/pairedomics/downloader.py

@@ -2,10 +2,7 @@
 import os
 import shutil
 import sys
-import zipfile
-from deprecated import deprecated
 import httpx
-from progress.spinner import Spinner
 from nplinker.genomics.mibig import download_and_extract_mibig_metadata
 from nplinker.logconfig import LogConfig
 from nplinker.metabolomics.gnps.gnps_downloader import GNPSDownloader
@@ -15,6 +12,7 @@
 from . import podp_download_and_extract_antismash_data
 from .runbigscape import podp_run_bigscape
 
+
 logger = LogConfig.getLogger(__name__)
 
 PAIREDOMICS_PROJECT_DATA_ENDPOINT = 'https://pairedomicsdata.bioinformatics.nl/api/projects'
@@ -250,66 +248,6 @@ def _download_metabolomics_zipfile(self, gnps_task_id):
             self.project_download_cache).download().get_download_path()
         GNPSExtractor(archive, self.project_file_cache).extract()
 
-    @deprecated
-    def _extract_metabolomics_data(self, mbzip):
-        logger.info('Extracting files to %s', self.project_file_cache)
-        # extract the contents to the file cache folder. only want some of the files
-        # so pick them out and only extract those:
-        # - root/spectra/*.mgf
-        # - root/clusterinfosummarygroup_attributes_withIDs_withcomponentID/*.tsv
-        # - root/networkedges_selfloop/*.pairsinfo
-        # - root/quantification_table*
-        # - root/metadata_table*
-        # - root/DB_result*
-
-        prefixes = [
-            'clusterinfosummarygroup_attributes_withIDs_withcomponentID',
-            'networkedges_selfloop', 'quantification_table', 'metadata_table',
-            'DB_result', 'result_specnets_DB'
-        ]
-
-        for member in mbzip.namelist():
-            if any(member.startswith(prefix) for prefix in prefixes):
-                mbzip.extract(member, path=self.project_file_cache)
-            # move the MGF file to a /spectra subdirectory to better fit expected structure
-            elif member.endswith('.mgf'):
-                os.makedirs(os.path.join(self.project_file_cache, 'spectra'),
-                            exist_ok=True)
-                mbzip.extract(member,
-                              path=os.path.join(self.project_file_cache,
-                                                'spectra'))
-
-    @deprecated
-    def _log_gnps_format(self):
-        if self._is_new_gnps_format(self.project_file_cache):
-            logger.info('Found NEW GNPS structure')
-        else:
-            logger.info('Found OLD GNPS structure')
-
-    @deprecated
-    def _load_gnps_data(self, gnps_task_id) -> zipfile.ZipFile:
-
-        self.metabolomics_zip = os.path.join(self.project_download_cache,
-                                             'metabolomics_data.zip')
-
-        # Try read from cache
-        if os.path.exists(self.metabolomics_zip):
-            logger.info('Found existing metabolomics_zip at %s',
-                        self.metabolomics_zip)
-            try:
-                mbzip = zipfile.ZipFile(self.metabolomics_zip)  # pylint: disable=consider-using-with
-                return mbzip
-            except zipfile.BadZipFile:
-                logger.info(
-                    'Invalid metabolomics zipfile found, will download again!')
-                os.unlink(self.metabolomics_zip)
-        url = _generate_gnps_download_url(gnps_task_id)
-        _execute_download(url, self.metabolomics_zip)
-
-        # this should throw an exception if zip is malformed etc
-        mbzip = zipfile.ZipFile(self.metabolomics_zip)  # pylint: disable=consider-using-with
-        return mbzip
-
     def _download_and_load_json(self, url, local_path):
         resp = httpx.get(url, follow_redirects=True)
         if not resp.status_code == 200:
@@ -323,25 +261,3 @@ def _download_and_load_json(self, url, local_path):
         logger.debug('Downloaded %s to %s', url, local_path)
 
         return content
-
-
-@deprecated
-def _generate_gnps_download_url(gnps_task_id):
-    url = GNPS_DATA_DOWNLOAD_URL.format(gnps_task_id)
-    return url
-
-
-@deprecated
-def _execute_download(url, metabolomics_zip):
-    logger.info('Downloading metabolomics data from %s', url)
-    with open(metabolomics_zip, 'wb') as f:
-        # note that this requires a POST, not a GET
-        total_bytes = 0
-        spinner = Spinner('Downloading metabolomics data... ')
-        with httpx.stream('POST', url) as r:
-            for data in r.iter_bytes():
-                f.write(data)
-                total_bytes += len(data)
-                spinner.next()
-        spinner.finish()
-    logger.info('Downloaded metabolomics data!')

tests/metabolomics/test_gnps_downloader.py

@@ -1,10 +1,10 @@
 import filecmp
+from pathlib import Path
 from tempfile import gettempdir
 import zipfile
-from pathlib import Path
-from typing_extensions import Self
-
 import pytest
+from requests.exceptions import ReadTimeout
+from typing_extensions import Self
 from nplinker.metabolomics.gnps.gnps_downloader import GNPSDownloader
 from .. import DATA_DIR
 
@@ -33,8 +33,11 @@ def test_has_gnps_task_id():
 
 
 def test_has_url():
-    sut = GNPSDownloaderBuilder().with_task_id("c22f44b14a3d450eb836d607cb9521bb").build()
-    assert sut.get_url() == 'https://gnps.ucsd.edu/ProteoSAFe/DownloadResult?task=c22f44b14a3d450eb836d607cb9521bb&view=download_clustered_spectra'
+    try:
+        sut = GNPSDownloaderBuilder().with_task_id("c22f44b14a3d450eb836d607cb9521bb").build()
+        assert sut.get_url() == 'https://gnps.ucsd.edu/ProteoSAFe/DownloadResult?task=c22f44b14a3d450eb836d607cb9521bb&view=download_clustered_spectra'
+    except ReadTimeout:
+        pytest.skip("GNPS is down")
 
 
 @pytest.mark.parametrize("task_id, filename_expected", [
@@ -44,11 +47,14 @@ def test_has_url():
 def test_downloads_file(tmp_path: Path, task_id, filename_expected):
     outpath = tmp_path.joinpath(task_id + ".zip")
     sut = GNPSDownloader(task_id, tmp_path)
-    sut.download()
-    actual = zipfile.ZipFile(outpath)
+    try:
+        sut.download()
+        actual = zipfile.ZipFile(outpath)
 
-    expected = zipfile.ZipFile(DATA_DIR / filename_expected)
+        expected = zipfile.ZipFile(DATA_DIR / filename_expected)
 
-    actual_names = actual.namelist()
-    expected_names = [x.filename for x in expected.filelist if x.compress_size > 0]
-    assert all(item in actual_names for item in expected_names)
+        actual_names = actual.namelist()
+        expected_names = [x.filename for x in expected.filelist if x.compress_size > 0]
+        assert all(item in actual_names for item in expected_names)
+    except ReadTimeout:
+        pytest.skip("GNPS is down")

tests/metabolomics/test_gnps_format.py

@@ -1,10 +1,10 @@
 import zipfile
 import pytest
-
-from nplinker.metabolomics.gnps.gnps_format import GNPSFormat
+from requests.exceptions import ReadTimeout
+from nplinker.metabolomics.gnps.gnps_format import gnps_format_from_archive
 from nplinker.metabolomics.gnps.gnps_format import gnps_format_from_file_mapping
 from nplinker.metabolomics.gnps.gnps_format import gnps_format_from_task_id
-from nplinker.metabolomics.gnps.gnps_format import gnps_format_from_archive
+from nplinker.metabolomics.gnps.gnps_format import GNPSFormat
 from .. import DATA_DIR
 
 
@@ -24,8 +24,11 @@ def test_identify_gnps_format(filename, expected):
     ["c22f44b14a3d450eb836d607cb9521bb", GNPSFormat.AllFiles]
 ])
 def test_gnps_format_from_task_id(task_id: str, expected: GNPSFormat):
-    actual = gnps_format_from_task_id(task_id)
-    assert actual is expected
+    try:
+        actual = gnps_format_from_task_id(task_id)
+        assert actual is expected
+    except ReadTimeout:
+        pytest.skip("GNPS is down")
 
 @pytest.mark.parametrize("archive_path, expected", [
     ["ProteoSAFe-FEATURE-BASED-MOLECULAR-NETWORKING-92036537-download_cytoscape_data.zip", GNPSFormat.FBMN],

tests/pairedomics/test_downloader.py

@@ -1,22 +1,12 @@
-import filecmp
 import os
 from pathlib import Path
-import zipfile
-import numpy
 import pytest
 from pytest_lazyfixture import lazy_fixture
-from nplinker import utils
-from nplinker.pairedomics.downloader import _execute_download
-from nplinker.pairedomics.downloader import _generate_gnps_download_url
+from requests.exceptions import ReadTimeout
 from nplinker.pairedomics.downloader import PODPDownloader
 from nplinker.pairedomics.downloader import STRAIN_MAPPINGS_FILENAME
-from .. import DATA_DIR
 
 
-@pytest.fixture
-def gnps_url():
-    return _generate_gnps_download_url("c22f44b14a3d450eb836d607cb9521bb")
-
 @pytest.mark.parametrize("expected", [
     Path(os.getenv('HOME'), 'nplinker_data', 'pairedomics'),
     lazy_fixture('tmp_path')
@@ -43,61 +33,27 @@ def test_default(expected: Path):
 
 def test_download_metabolomics_zipfile(tmp_path):
     sut = PODPDownloader("MSV000079284", local_cache=tmp_path)
-    sut._download_metabolomics_zipfile("c22f44b14a3d450eb836d607cb9521bb")
-    expected_path = os.path.join(sut.project_download_cache, 'metabolomics_data.zip')
-
-    assert os.path.exists(expected_path)
-    assert (Path(sut.project_file_cache) / "networkedges_selfloop/6da5be36f5b14e878860167fa07004d6.pairsinfo").is_file()
-    assert (Path(sut.project_file_cache) / "clusterinfosummarygroup_attributes_withIDs_withcomponentID/d69356c8e5044c2a9fef3dd2a2f991e1.tsv").is_file()
-    assert (Path(sut.project_file_cache) / "spectra/METABOLOMICS-SNETS-c22f44b1-download_clustered_spectra-main.mgf").is_file()
-
-
-def test_download_metabolomics_zipfile(tmp_path):
-    sut = PODPDownloader("MSV000079284", local_cache=tmp_path)
-    sut._download_metabolomics_zipfile("c22f44b14a3d450eb836d607cb9521bb")
-    expected_path = os.path.join(sut.project_download_cache, 'c22f44b14a3d450eb836d607cb9521bb.zip')
-
-    assert os.path.exists(expected_path)
-    assert (Path(sut.project_file_cache) / "molecular_families.pairsinfo").is_file()
-    assert (Path(sut.project_file_cache) / "file_mappings.tsv").is_file()
-    assert (Path(sut.project_file_cache) / "spectra.mgf").is_file()
-
+    try:
+        sut._download_metabolomics_zipfile("c22f44b14a3d450eb836d607cb9521bb")
+        expected_path = os.path.join(sut.project_download_cache, 'metabolomics_data.zip')
 
-def test_generate_gnps_download_url():
-    gnps_task_id = "c22f44b14a3d450eb836d607cb9521bb"
-    expected = 'https://gnps.ucsd.edu/ProteoSAFe/DownloadResult?task=c22f44b14a3d450eb836d607cb9521bb&view=download_clustered_spectra'
-    actual = _generate_gnps_download_url(gnps_task_id)
-    assert actual == expected
+        assert os.path.exists(expected_path)
+        assert (Path(sut.project_file_cache) / "networkedges_selfloop/6da5be36f5b14e878860167fa07004d6.pairsinfo").is_file()
+        assert (Path(sut.project_file_cache) / "clusterinfosummarygroup_attributes_withIDs_withcomponentID/d69356c8e5044c2a9fef3dd2a2f991e1.tsv").is_file()
+        assert (Path(sut.project_file_cache) / "spectra/METABOLOMICS-SNETS-c22f44b1-download_clustered_spectra-main.mgf").is_file()
+    except ReadTimeout:
+        pytest.skip("GNPS is down")
 
 
-def test_execute_download(gnps_url: str, tmp_path: Path):
-    outpath = tmp_path / 'metabolomics_data.zip'
-    _execute_download(gnps_url, outpath)
-    assert os.path.exists(outpath)
-
-
-def test_download_gnps_data(tmp_path):
-    gnps_task_id = "c22f44b14a3d450eb836d607cb9521bb"
-    sut = PODPDownloader("MSV000079284", local_cache=tmp_path / 'actual')
-    actual = sut._load_gnps_data(gnps_task_id)
-
-    expected = zipfile.ZipFile(DATA_DIR / "ProteoSAFe-METABOLOMICS-SNETS-c22f44b1-download_clustered_spectra.zip")
-
-    actual.extract("networkedges_selfloop/6da5be36f5b14e878860167fa07004d6.pairsinfo", tmp_path / "actual")
-    expected.extract("networkedges_selfloop/6da5be36f5b14e878860167fa07004d6.pairsinfo", tmp_path / "expected")
-
-    assert filecmp.cmp(
-        tmp_path / "actual/networkedges_selfloop" / "6da5be36f5b14e878860167fa07004d6.pairsinfo",
-        tmp_path / "expected/networkedges_selfloop" / "6da5be36f5b14e878860167fa07004d6.pairsinfo",
-        shallow=False
-    )
-
-
-def test_extract_metabolomics_data(tmp_path):
+def test_download_metabolomics_zipfile_scenario2(tmp_path):
     sut = PODPDownloader("MSV000079284", local_cache=tmp_path)
-    archive = zipfile.ZipFile(DATA_DIR / "ProteoSAFe-METABOLOMICS-SNETS-c22f44b1-download_clustered_spectra.zip")
-    sut._extract_metabolomics_data(archive)
-
-    assert (Path(sut.project_file_cache) / "networkedges_selfloop/6da5be36f5b14e878860167fa07004d6.pairsinfo").is_file()
-    assert (Path(sut.project_file_cache) / "clusterinfosummarygroup_attributes_withIDs_withcomponentID/d69356c8e5044c2a9fef3dd2a2f991e1.tsv").is_file()
-    assert (Path(sut.project_file_cache) / "spectra/METABOLOMICS-SNETS-c22f44b1-download_clustered_spectra-main.mgf").is_file()
+    try:
+        sut._download_metabolomics_zipfile("c22f44b14a3d450eb836d607cb9521bb")
+        expected_path = os.path.join(sut.project_download_cache, 'c22f44b14a3d450eb836d607cb9521bb.zip')
+
+        assert os.path.exists(expected_path)
+        assert (Path(sut.project_file_cache) / "molecular_families.pairsinfo").is_file()
+        assert (Path(sut.project_file_cache) / "file_mappings.tsv").is_file()
+        assert (Path(sut.project_file_cache) / "spectra.mgf").is_file()
+    except ReadTimeout:
+        pytest.skip("GNPS is down")