Add conditional statement for including sampler.idx_pdb for writepdb since ScaffoldedSampler.sample_init() doesn't set idx_pdb.

woodsh17 · woodsh17 · commit caa732e2e181 · 2025-09-29T13:03:27.000-05:00
diff --git a/scripts/run_inference.py b/scripts/run_inference.py
@@ -141,7 +141,7 @@ def main(conf: HydraConfig) -> None:
             sampler.binderlen,
             chain_idx=sampler.chain_idx,
             bfacts=bfacts,
-            idx_pdb=sampler.idx_pdb
+            **({"idx_pdb": sampler.idx_pdb} if hasattr(sampler, "idx_pdb") else {})
         )
 
         # run metadata

Original file line number	Diff line number	Diff line change
`@@ -141,7 +141,7 @@ def main(conf: HydraConfig) -> None:`
`141`	`141`	`sampler.binderlen,`
`142`	`142`	`chain_idx=sampler.chain_idx,`
`143`	`143`	`bfacts=bfacts,`
`144`		`- idx_pdb=sampler.idx_pdb`
	`144`	`+ **({"idx_pdb": sampler.idx_pdb} if hasattr(sampler, "idx_pdb") else {})`
`145`	`145`	`)`
`146`	`146`
`147`	`147`	`# run metadata`