From 52adb09ceeefadd1ef970a880889e85988e681ec Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Fri, 1 Dec 2023 15:23:10 +0100
Subject: [PATCH] fix: fail early and clearly with quote chain names
---
modules/mol/alg/pymod/scoring.py | 4 ++++
1 file changed, 4 insertions(+)
diff --git a/modules/mol/alg/pymod/scoring.py b/modules/mol/alg/pymod/scoring.py
index 42acf8554..ced6bf225 100644
--- a/modules/mol/alg/pymod/scoring.py
+++ b/modules/mol/alg/pymod/scoring.py
@@ -179,11 +179,15 @@ class Scorer:
for ch in self._model.chains:
if ch.GetName().strip() == "":
raise RuntimeError("Model chains must have valid chain names")
+ if ch.GetName().strip() == "'" or ch.GetName().strip() == '"':
+ raise RuntimeError("Model chains cannot be named with quote signs (' or \"\")")
# catch targets which have empty chain names
for ch in self._target.chains:
if ch.GetName().strip() == "":
raise RuntimeError("Target chains must have valid chain names")
+ if ch.GetName().strip() == "'" or ch.GetName().strip() == '"':
+ raise RuntimeError("Target chains cannot be named with quote signs (' or \"\")")
if resnum_alignments:
# In case of resnum_alignments, we have some requirements on
--
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