forlilab / Ringtail

Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
GNU Lesser General Public License v2.1
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Error occured while writing database #23

Closed mallanos closed 1 year ago

mallanos commented 1 year ago

While running the following command to write a database, I'm getting the following error: The error appeared after a fix introduced to handle cases where no interactions could be found for a ligand.

rt_process_vs.py write --file_path output/5rlh --output_db 5rlh.db --max_poses 5 --summary --receptor_file receptors/pocket1/5rlh_fix.pdbqt --debug | tee out_5rlh.log Logging level set to debug Adding results... {'file': [[]], 'file_path': {'path': [['output/5rlh']], 'pattern': '.dlg', 'recursive': False}, 'file_list': [[]]} Starting 63 file readers -Scanning directory [output/5rlh] for files (pattern:|.dlg|) 2301 files written to database. Writing 30264 files/minute. Elapsed time 5 seconds.Caught error in multiprocessing from Database Error encountered while handling Database Traceback (most recent call last): File "/gpfs/home/mllanos/Ringtail/ringtail/mpreaderwriter.py", line 281, in run self.write_to_storage() File "/gpfs/home/mllanos/Ringtail/ringtail/mpreaderwriter.py", line 317, in write_to_storage self.storageman.insert_data( File "/gpfs/home/mllanos/Ringtail/ringtail/storagemanager.py", line 1563, in insert_data self.insert_results(results_array) File "/gpfs/home/mllanos/Ringtail/ringtail/storagemanager.py", line 1621, in insert_results cur.executemany(sql_insert, results_array) sqlite3.ProgrammingError: Incorrect number of bindings supplied. The current statement uses 33, and there are 32 supplied.

Closing database Traceback (most recent call last): File "/gpfs/home/mllanos/Ringtail/ringtail/mpmanager.py", line 120, in process_files self._process_sources() File "/gpfs/home/mllanos/Ringtail/ringtail/mpmanager.py", line 156, in _process_sources self._add_to_queue(f) File "/gpfs/home/mllanos/Ringtail/ringtail/mpmanager.py", line 180, in _add_to_queue self._check_for_worker_exceptions() File "/gpfs/home/mllanos/Ringtail/ringtail/mpmanager.py", line 193, in _check_for_worker_exceptions self._kill_all_workers(error, filename, tb) File "/gpfs/home/mllanos/Ringtail/ringtail/mpmanager.py", line 204, in _kill_all_workers raise error ringtail.exceptions.WriteToStorageError: Error occured while writing database

During handling of the above exception, another exception occurred:

Traceback (most recent call last): File "/gpfs/home/mllanos/Ringtail/scripts/rt_process_vs.py", line 51, in rt_core.add_results() File "/gpfs/home/mllanos/Ringtail/ringtail/ringtailcore.py", line 136, in add_results self.results_man.process_results() File "/gpfs/home/mllanos/Ringtail/ringtail/resultsmanager.py", line 80, in process_results self.parser.process_files() File "/gpfs/home/mllanos/Ringtail/ringtail/mpmanager.py", line 123, in process_files self._kill_all_workers("file sources", tb) TypeError: _kill_all_workers() missing 1 required positional argument: 'tb'

ERROR: _kill_all_workers() missing 1 required positional argument: 'tb'

althea-hansel commented 1 year ago

Should be fixed by commit 97e910463ed1efbc1c59a7d18f3681a68cf25c76