From 9bf4c44de5b68bd1052284f6107d6d89b1bd91ae Mon Sep 17 00:00:00 2001 From: Gareth Jones Date: Tue, 25 Feb 2025 08:58:19 -0700 Subject: [PATCH] Fix memory leaks (#8298) --- .../RGroupDecomposition/RGroupFingerprintScore.cpp | 2 +- Code/JavaWrappers/MolStandardize.i | 13 +++++++++++++ 2 files changed, 14 insertions(+), 1 deletion(-) diff --git a/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp b/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp index fc70ecc81..8b4d226e7 100644 --- a/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp +++ b/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp @@ -62,7 +62,7 @@ void addFingerprintToRGroupData(RGroupData *rgroupData) { try { MolOps::sanitizeMol(mol); } catch (MolSanitizeException &) { - BOOST_LOG(rdWarningLog) + BOOST_LOG(rdDebugLog) << "Failed to sanitize RGroup fingerprint mol for " << rgroupData->smiles << std::endl; } diff --git a/Code/JavaWrappers/MolStandardize.i b/Code/JavaWrappers/MolStandardize.i index d32aac1f3..b62c40c6e 100644 --- a/Code/JavaWrappers/MolStandardize.i +++ b/Code/JavaWrappers/MolStandardize.i @@ -19,6 +19,19 @@ namespace std { %template(PipelineLog) std::vector; } +%newobject RDKit::MolStandardize::cleanup; +%newobject RDKit::MolStandardize::normalize; +%newobject RDKit::MolStandardize::reionize; +%newobject RDKit::MolStandardize::removeFragments; +%newobject RDKit::MolStandardize::canonicalTautomer; +%newobject RDKit::MolStandardize::tautomerParent; +%newobject RDKit::MolStandardize::fragmentParent; +%newobject RDKit::MolStandardize::stereoParent; +%newobject RDKit::MolStandardize::isotopeParent; +%newobject RDKit::MolStandardize::chargeParent; +%newobject RDKit::MolStandardize::superParent; +%newobject RDKit::MolStandardize::disconnectOrganometallics; + %include %include "enums.swg"