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Enable dc_sim for PanDDA2
1 parent bde4821 commit 3d33f92

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Lines changed: 3 additions & 7 deletions

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src/dlstbx/services/trigger_xchem.py

Lines changed: 3 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -204,12 +204,6 @@ def trigger_pandda_xchem(
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dcid = parameters.dcid
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scaling_id = parameters.scaling_id[0]
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# program_id = parameters.program_id
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_, ispyb_info = dlstbx.ispybtbx.ispyb_filter({}, {"ispyb_dcid": dcid}, session)
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visit = ispyb_info.get("ispyb_visit", "")
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visit_proposal = visit.split("-")[0]
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# visit_dir = pathlib.Path(ispyb_info.get("ispyb_visit_directory", ""))
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# results_dir = pathlib.Path(ispyb_info.get("ispyb_results_directory", ""))
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protein_info = get_protein_for_dcid(parameters.dcid, session)
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# protein_id = getattr(protein_info, "proteinId")
@@ -238,7 +232,9 @@ def trigger_pandda_xchem(
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return {"success": True}
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# Find corresponding xchem visit directory and database
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xchem_dir = pathlib.Path(f"/dls/labxchem/data/{visit_proposal}")
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xchem_dir = pathlib.Path(
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f"/dls/labxchem/data/{proposal.proposalCode}{proposal.proposalNumber}"
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)
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yaml_files = []
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for subdir in xchem_dir.iterdir():

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