simplify reaction copy in ChemicalTransformation node (#87)

rdkit · Feb 25, 2021 · 575ca0b · 575ca0b
1 parent fa68610
commit 575ca0b
Showing 1 changed file with 1 addition and 6 deletions.
diff --git a/...rc/org/rdkit/knime/nodes/chemicaltransformation/RDKitChemicalTransformationNodeModel.java b/...rc/org/rdkit/knime/nodes/chemicaltransformation/RDKitChemicalTransformationNodeModel.java
@@ -516,12 +516,7 @@ protected ChemicalReaction[] createResource() {
 				final ChemicalReaction[] arrCopy = new ChemicalReaction[m_arrReactions.length];
 
 				for (int i = 0; i < m_arrReactions.length; i++) {
-					if (m_bIsSmartsInput) {
-						arrCopy[i] = markForCleanup(ChemicalReaction.ReactionFromSmarts(ChemicalReaction.ReactionToSmarts(m_arrReactions[i])));
-					}
-					else {
-						arrCopy[i] = markForCleanup(ChemicalReaction.ReactionFromRxnBlock(ChemicalReaction.ReactionToRxnBlock(m_arrReactions[i])));
-					}
+					arrCopy[i] = markForCleanup(new ChemicalReaction(m_arrReactions[i]));
 				}
 
 				return arrCopy;