From 10831370cdee9fa945f94b13003a88de1db103b1 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Mon, 21 Oct 2024 15:07:24 +0200
Subject: [PATCH] log: increase verbosity level of symmetries
LogDebug never shown in optimized builds
---
modules/mol/alg/pymod/ligand_scoring_base.py | 8 ++++----
1 file changed, 4 insertions(+), 4 deletions(-)
diff --git a/modules/mol/alg/pymod/ligand_scoring_base.py b/modules/mol/alg/pymod/ligand_scoring_base.py
index 44ad4d18e..45376fde5 100644
--- a/modules/mol/alg/pymod/ligand_scoring_base.py
+++ b/modules/mol/alg/pymod/ligand_scoring_base.py
@@ -1226,7 +1226,7 @@ def ComputeSymmetries(model_ligand, target_ligand, substructure_match=False,
symmetries.append((list(isomorphism.values()),
list(isomorphism.keys())))
assert len(symmetries) > 0
- LogDebug("Found %s isomorphic mappings (symmetries)" % len(symmetries))
+ LogVerbose("Found %s isomorphic mappings (symmetries)" % len(symmetries))
elif gm.subgraph_is_isomorphic() and substructure_match:
if not return_symmetries:
return True
@@ -1242,14 +1242,14 @@ def ComputeSymmetries(model_ligand, target_ligand, substructure_match=False,
# Assert that all the atoms in the target are part of the substructure
assert len(symmetries[0][0]) == len(target_ligand.atoms)
n_sym = len(symmetries)
- LogDebug("Found %s subgraph isomorphisms (symmetries)" % n_sym)
+ LogVerbose("Found %s subgraph isomorphisms (symmetries)" % n_sym)
elif gm.subgraph_is_isomorphic():
- LogDebug("Found subgraph isomorphisms (symmetries), but"
+ LogVerbose("Found subgraph isomorphisms (symmetries), but"
" ignoring because substructure_match=False")
raise NoIsomorphicSymmetryError("No symmetry between %s and %s" % (
str(model_ligand), str(target_ligand)))
else:
- LogDebug("Found no isomorphic mappings (symmetries)")
+ LogVerbose("Found no isomorphic mappings (symmetries)")
raise NoSymmetryError("No symmetry between %s and %s" % (
str(model_ligand), str(target_ligand)))
--
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