From c1a789e1944c32dabef1b3c761fa2d1123d3e712 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Fri, 12 May 2023 10:59:57 +0200
Subject: [PATCH] feat: SCHWED-5913 make invalid $OST_COMPOUNDS_CHEMLIB an
error
---
modules/base/pymod/__init__.py.in | 17 ++++++++---------
1 file changed, 8 insertions(+), 9 deletions(-)
diff --git a/modules/base/pymod/__init__.py.in b/modules/base/pymod/__init__.py.in
index 2fabb1b7f..0dff2fd37 100644
--- a/modules/base/pymod/__init__.py.in
+++ b/modules/base/pymod/__init__.py.in
@@ -87,15 +87,14 @@ def _SetupCompoundsLib():
"""
# Try with the $OST_COMPOUNDS_CHEMLIB environment variable
compound_lib_path = os.getenv("OST_COMPOUNDS_CHEMLIB")
- try:
- _TrySetCompoundsLib(compound_lib_path)
- except ValueError:
- if compound_lib_path:
- LogWarning("Could not load $OST_COMPOUNDS_CHEMLIB as a compound library"
- ": '%s'. Falling back to default." % ( compound_lib_path))
- pass
- else:
- return
+ if compound_lib_path:
+ compound_lib = conop.CompoundLib.Load(compound_lib_path)
+ if compound_lib is None:
+ raise RuntimeError("Could not load $OST_COMPOUNDS_CHEMLIB as a compound "
+ "library: '%s'." % compound_lib_path)
+ else:
+ conop.SetDefaultLib(compound_lib)
+ return
# Try from GetSharedDataPath() - requires $OST_ROOT to be set.
try:
--
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