Move XChem results dir to tmp

rowanwalker96 · rowanwalker96 · commit 8aec5ed2028c · 2025-12-03T11:01:41.000Z
diff --git a/src/dlstbx/services/trigger_xchem.py b/src/dlstbx/services/trigger_xchem.py
@@ -611,7 +611,8 @@ def trigger_pandda_xchem(
             )
 
         # 3. Create the dataset directory
-
+        tmp_dir = pathlib.Path("/dls/tmp/xchem_diff2ir")  # TEMPORARY RESULTS DIR
+        processing_dir = tmp_dir / xchem_visit_dir.parts[-1]
         model_dir = processing_dir / "analysis" / "auto_model_building"
         dataset_dir = model_dir / dtag
         compound_dir = dataset_dir / "compound"

Original file line number	Diff line number	Diff line change
`@@ -611,7 +611,8 @@ def trigger_pandda_xchem(`
`611`	`611`	`)`
`612`	`612`
`613`	`613`	`# 3. Create the dataset directory`
`614`		`-`
	`614`	`+ tmp_dir = pathlib.Path("/dls/tmp/xchem_diff2ir") # TEMPORARY RESULTS DIR`
	`615`	`+ processing_dir = tmp_dir / xchem_visit_dir.parts[-1]`
`615`	`616`	`model_dir = processing_dir / "analysis" / "auto_model_building"`
`616`	`617`	`dataset_dir = model_dir / dtag`
`617`	`618`	`compound_dir = dataset_dir / "compound"`