From f90a1db8ccc2947f714c61d6bc3669f72c95189c Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavalias-github@xavier.robin.name>
Date: Thu, 1 Feb 2024 14:54:27 +0100
Subject: [PATCH] fix: improve handling of invalid biounit indices
---
actions/ost-compare-structures | 10 ++++++++--
1 file changed, 8 insertions(+), 2 deletions(-)
diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures
index 56c6087a8..78aea3eda 100644
--- a/actions/ost-compare-structures
+++ b/actions/ost-compare-structures
@@ -579,8 +579,14 @@ def _LoadStructure(structure_path, sformat, fault_tolerant, bu_idx):
cif_entity, cif_seqres, cif_info = \
io.LoadMMCIF(structure_path, info=True, seqres=True,
fault_tolerant=fault_tolerant)
- if bu_idx >= len(cif_info.biounits):
- raise RuntimeError(f"Invalid biounit index - requested {bu_idx} "
+ if len(cif_info.biounits) == 0:
+ raise RuntimeError(f"No biounit found - requested index"
+ f" {bu_idx}.")
+ elif bu_idx < 0:
+ raise RuntimeError(f"Invalid biounit - requested index {bu_idx}, "
+ f"must be a positive integer or 0.")
+ elif bu_idx >= len(cif_info.biounits):
+ raise RuntimeError(f"Invalid biounit - requested index {bu_idx}, "
f"must be < {len(cif_info.biounits)}.")
biounit = cif_info.biounits[bu_idx]
entity = ost.mol.alg.CreateBU(cif_entity, biounit)
--
GitLab