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Modify trigger_xchem stopgap
1 parent ae77eb5 commit 6f6715e

1 file changed

Lines changed: 1 addition & 23 deletions

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src/dlstbx/services/trigger_xchem.py

Lines changed: 1 addition & 23 deletions
Original file line numberDiff line numberDiff line change
@@ -438,7 +438,7 @@ def trigger_pandda_xchem(
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return {"success": True}
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# Stop-gap, interval > max checkpoint time
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min_start_time = datetime.now() - timedelta(hours=3)
441+
min_start_time = datetime.now() - timedelta(minutes=30)
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query = (
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(
@@ -729,28 +729,6 @@ def trigger_pandda_xchem(
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with open(compound_dir / f"{CompoundCode}.smiles", "w") as smi_file:
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smi_file.write(CompoundSMILES)
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# Check if Pipedream job was recently launched
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min_start_time = datetime.now() - timedelta(hours=3)
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query = (
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(
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session.query(AutoProcProgram, ProcessingJob.dataCollectionId).join(
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ProcessingJob,
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ProcessingJob.processingJobId == AutoProcProgram.processingJobId,
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)
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)
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.filter(ProcessingJob.dataCollectionId == dcid)
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.filter(ProcessingJob.automatic == True) # noqa E711
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.filter(AutoProcProgram.processingPrograms.in_(["Pipedream"]))
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.filter(AutoProcProgram.recordTimeStamp > min_start_time)
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)
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748-
if triggered_processing_job := query.first():
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self.log.info(
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f"Pipedream job recently launched for dcid {dcid}, skipping pipedream trigger"
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)
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pipedream = False
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# Create seperate pipedream directory
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if pipedream:
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pipedream_dir = analysis_dir / "pipedream"

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