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Describe the bug Cannot read the topology
To Reproduce
import BioSimSpace as BSS BSS.IO.readMolecules(('Mcl1_vacuum.parm7', 'Mcl1_vacuum.rst7'))
Got
╭─────────────────────────────── Traceback (most recent call last) ────────────────────────────────╮ │ /home/ubuntu/miniconda3/envs/BSSOrion/lib/python3.8/site-packages/BioSimSpace/IO/_io.py:453 in │ │ readMolecules │ │ │ │ 450 │ │ │ 451 │ # Try to read the files and return a molecular system. │ │ 452 │ try: │ │ ❱ 453 │ │ system = _patch_sire_load( │ │ 454 │ │ │ files, │ │ 455 │ │ │ directory=str(download_dir), │ │ 456 │ │ │ property_map=property_map, │ │ │ │ /home/ubuntu/miniconda3/envs/BSSOrion/lib/python3.8/site-packages/BioSimSpace/IO/_io.py:1078 in │ │ _patch_sire_load │ │ │ │ 1075 │ │ │ 1076 │ for i in range(0, len(paths)): │ │ 1077 │ │ # resolve the paths, downloading as needed │ │ ❱ 1078 │ │ p += _sire._load._resolve_path(paths[i], directory=directory, silent=silent) │ │ 1079 │ │ │ 1080 │ paths = p │ │ 1081 │ │ │ │ /home/ubuntu/miniconda3/envs/BSSOrion/lib/python3.8/site-packages/sire/_load.py:116 in │ │ _resolve_path │ │ │ │ 113 │ if hasattr(directory, "strpath"): │ │ 114 │ │ directory = directory.strpath │ │ 115 │ │ │ ❱ 116 │ if os.path.exists(path) and os.path.isfile(path): │ │ 117 │ │ if path.endswith(".gz"): │ │ 118 │ │ │ # unzip the file first │ │ 119 │ │ │ unzipped = path[0:-3] │ │ │ │ /home/ubuntu/miniconda3/envs/BSSOrion/lib/python3.8/genericpath.py:19 in exists │ │ │ │ 16 def exists(path): │ │ 17 │ """Test whether a path exists. Returns False for broken symbolic links""" │ │ 18 │ try: │ │ ❱ 19 │ │ os.stat(path) │ │ 20 │ except (OSError, ValueError): │ │ 21 │ │ return False │ │ 22 │ return True │ ╰──────────────────────────────────────────────────────────────────────────────────────────────────╯ TypeError: stat: path should be string, bytes, os.PathLike or integer, not tuple During handling of the above exception, another exception occurred: ╭─────────────────────────────── Traceback (most recent call last) ────────────────────────────────╮ │ in <module>:1 │ │ │ │ /home/ubuntu/miniconda3/envs/BSSOrion/lib/python3.8/site-packages/BioSimSpace/IO/_io.py:504 in │ │ readMolecules │ │ │ │ 501 │ │ │ │ else: │ │ 502 │ │ │ │ │ raise IOError(msg) from None │ │ 503 │ │ │ else: │ │ ❱ 504 │ │ │ │ msg = "Failed to read molecules from: %s" % files │ │ 505 │ │ │ │ if _isVerbose(): │ │ 506 │ │ │ │ │ raise IOError(msg) from e0 │ │ 507 │ │ │ │ else: │ ╰──────────────────────────────────────────────────────────────────────────────────────────────────╯ TypeError: not all arguments converted during string formatting
Expected behavior Loads
Input files
Archive.zip
(please complete the following information):
Additional context Add any other context about the problem here.
The text was updated successfully, but these errors were encountered:
Pass the files as a list, not a tuple. I can add something to convert it behind the scenes.
Sorry, something went wrong.
Weird, I only got this problem after I did the sync, maybe some other part failed upstream. I will have another check.
Ok, it is not even reproducible weird.
Merge pull request #33 from Exscientia/feat_2023.5.1
0d03787
Sync with 2023.5.1
No branches or pull requests
Describe the bug
Cannot read the topology
To Reproduce
Got
Expected behavior
Loads
Input files
Archive.zip
(please complete the following information):
Additional context
Add any other context about the problem here.
The text was updated successfully, but these errors were encountered: